ORAL

SESSION: IronMonAM-R10	5th Intl. Symp. on Advanced Sustainable Iron and Steel Making
Mon Oct, 23 2017	Room: Maria Mercedes & Maria Beatriz
Session Chairs: Tateo Usui; Mery-Cecilia Gomez-Marroquin; Session Monitor: TBA

11:00: [IronMonAM01] Plenary
Progress in Gaseous Reduction Models for Iron Ore Agglomerates
Tateo Usui¹ ; Masaaki Naito² ; Hiroshi Kamiya³ ; Hideki Ono⁴ ; Yasuhiro Nakamuro⁵ ; Hirokazu Konishi⁴ ; Hirotoshi Kawabata⁴ ; Tomoyuki Mizukoshi⁶ ; Masahiro Nishi⁷ ; Paulo Assis⁸ ; ¹Osaka University, Ibaraki, Japan; ²Nippon Steel & Sumikin Technology Co., Ltd., Futtsu, Japan; ³Honda Motor Co., Ltd., Tokyo, Japan; ⁴Osaka University, Suita, Japan; ⁵Naniwa Pump Mfg. Co., Ltd., Osaka, Japan; ⁶Osaka Research Institute of Industrial Science and Technology, Izumi, Japan; ⁷Izumi Industry. Inc., Hakuigun, Japan; ⁸UFOP (Federal University of Ouro Preto) / REDEMAT, Ouro Preto, Brazil;
Paper Id: 121 [Abstract]

In reaction models for gaseous reduction of iron ore agglomerates, the formations of both unreacted-core shrinking (UCS) model for one interface, UCS model for three interfaces, and the developments of multi-stage zone-reaction models with and without considering solid-state diffusion are summarized; these models are used mainly for pellets, but are sometimes used for sinter. UCS model for six interfaces in consideration of quaternary calcium ferrite reduction process is newly developed for sinter. Comparisons of these reaction models for pellets and sinter are carried out by using experimental data on gaseous reduction of these iron ore agglomerates.

11:30: [IronMonAM02] Plenary
[Oxygen applications for sustainable steelmaking/steel melting] Characterization of Peruvian Linz Donawitz-Ld Steel Sludges
Mery-cecilia Gomez Marroquin¹ ; Jose Carlos D Abreu² ; ¹Universidad Nacional de Ingenieria-UNI, Lima, Peru; ²PUC-Rio, Rio de Janeiro, Brazil;
Paper Id: 103 [Abstract]

One of the most important steelmaking industry issues in the world, from the recycling of galvanized steel scrap, is the benefit or provision of the powders produced in electric arc furnaces (EAF) and Converters LD / BOF. Transportation costs, disposal in appropriate places and the increasing environmental demands, are doing many steel companies in the world seek ways to avoid, minimize and/or properly treat their powders and particles. The experimental methodology of this project includes a complete characterization of powders and involved particles; in this case, the LD steel sludges; using chemical analysis by Atomic Absorption Analysis by X-ray diffraction, Microscopies Optical Co-located, and Scanning Electron Microscope-SEM. It is concluded that the complete characterization of this waste, used to treat or process powders, sludges, and fine particles produced by both the Electrical arc furnace (EAF) and Converters LD / FOB, and coking plants as a result of the production process of steel and related.

12:00: [IronMonAM03] Keynote
Mathematical Modeling of SER Jet-Emulsion Process
Valentin Tsymbal¹ ; Alexey Olennikov¹ ; Inna Rybenko¹ ; Pavel Sechenov¹ ; Florian Kongoli² ; ¹Siberian State Industrial University, Novokuznetzk, Russian Federation; ²Flogen Technologies Inc., Mont-Royal, Canada;
Paper Id: 180 [Abstract]

SER Jet-Emulsion Process is a new, compact, energy efficient, environmentally friendly and waste-free iron and steel technology. Its physicochemical fundamentals based on the theory of self-organization at significant deviation from thermodynamic equilibrium as well as its industrial features and advantages have been described in our previous publications. In this paper, a mathematical model of one of the main units of this process, the refining column or the gravitational separator is described. The model is based on the 'first principles' Monte Carlo method, in which the particles of charge materials and reaction products interact. The model simulates elastic and inelastic interactions, as well as the chemical transformations that take place in this process. The mathematical model was extensively tested especially in the separation of the constituents of fine-dispersed dust from manganese production. The obtained regularities, reflecting the process dynamics in space and time were proven important for the choice of design and regime parameters of the column reactors.

12:30: [IronMonAM04] Keynote
Basic Physicochemical Principles of ORIEN Process - A Direct Iron Ore to Steel Technology
Genrikh Dorofeev¹ ; Florian Kongoli² ; ¹Ferro-Technology', Moscow, Tula, Russian Federation; ²Flogen Technologies Inc., Mont-Royal, Canada;
Paper Id: 192 [Abstract]

In a previous paper, the ORIEN Technology was introduced as a new, compact, energy intensive and self-sufficient as well as environmentally friendly iron and steel technology that has numerous advantages compared to the classical iron and steel production technologies. The purpose of this paper is to describe the basic physicochemical principles of this process. The core of the technology, that can otherwise be named a direct iron-ore to steel technology, is a special direct liquid-state reduction of unique iron-ore cold-pressed briquettes in a single electric furnace unit achieving simultaneously the reduction of iron ore in the briquettes and converting it into steel based on the principles of the energy self-sufficiency. The output of ORIEN process is a unique iron melt of a special type in which the carbon exists in non-equilibrium colloidal form and can be controlled to vary widely from 0.04% to 30%. Based on these fundamentals the new ORIEN technology can be used to produce various degrees of iron melts with different carbon contents in a single electric furnace unit and to replace the classical heavy flowsheet of agglomeration/sinter/pelletizing, coke batteries, blast furnace and BOF convertors. This opens the road for a paradigm shift for fundamental environmental protection, saving energy, decreasing cost and increasing the quality of the steel.

SESSION: IronMonPM-R10	5th Intl. Symp. on Advanced Sustainable Iron and Steel Making
Mon Oct, 23 2017	Room: Maria Mercedes & Maria Beatriz
Session Chairs: Geovane Silva; Fikret Furtun; Session Monitor: TBA

14:30: [IronMonPM05] Keynote
Efficiency Improvement of Blast Furnace Main Iron Trough Castable Refractory Consumption With 3D Laser Scan Analysis
Emre Acar¹ ; Fikret Furtun² ; ¹Kardemir Iron Steel Industry Trade & Company Inc., Karab�k, Turkey; ²KARDEMIR IRONAND STEEL Co, KARABUK, Turkey;
Paper Id: 134 [Abstract]

In this article, we will share some info about blast furnace main iron trough wear conditions and how to improve the efficiency of main iron runner trough with making 3D laser scans analysis.<br />We are working in Kardemir Blast Furnace 5 and we are process engineers. In Blast Furnace 5, we have 2 main iron runner troughs and their dimensions are 13 (length) x 1,3 (width) meters and they can keep nearly 32 tons of iron inside. We are checking their temperatures with 24 of thermocouples. We are using castable refractories based on alumina and silicon carbide aggregates.<br />In each campaign we are usually getting 230 k ton hot metal from the troughs and after that we are wrecking the trough and repair with castable refractory and it costs so much for us. And inside we discussed this and try to make a 3D laser scan analysis for trough. After the scan we saw the wear areas of the troughs and learned that we can get nearly 35 k ton hot metal more from the troughs. So this is really great for us and it decreased our costs for castable refractories.<br />So we have really improved the efficiency of our main iron troughs.

15:00: [IronMonAM06]
Influence of Improvement of the Sinter Screening in CSA Blast Furnace Process
Geovane Silva¹ ; Bruno Pinheiro Da Silva² ; Andre Hirano³ ; Marilene Landin⁴ ; Maxwell Pereira Cangani⁵ ; Ennes Landin⁶ ;⁰ ; ¹Thyssenkrupp CSA, Rio de Janeiro, Brazil; ²ThyssenKrupp CSA, Rio de Janeiro, Brazil; ³ThyssenKrupp, Rio de Janeiro, Brazil; ⁴Thyssenkrupp CSA, Santa Cruz, Brazil; ⁵thyssenkrupp CSA, Rio de Janeiro, Brazil; ⁶, , ;
Paper Id: 317 [Abstract]

One of the main parameters in the gas flow distribution in a Blast Furnace is the size distribution. In the CSA Blast Furnaces, the sinter fines extraction was improved through sieves adjustments in the stock house, and a better gas flow control into the Blast Furnace was observed. In this paper, it is possible to evaluate the influence of the improvement in the sinter screening process in the BF gas flow, and its impact in the reduction of thermal load standard deviation on the wall in the upper part of the Blast Furnace. By BF stable gas flow, an increase in the top gas efficiency and a decrease in the variation of the thermal load on the wall were observed. Fuel rate and Hot Metal production were also improved as a consequence of better gas flow distribution into Blast Furnace.

15:30: [IronMonAM07]
Optimization of the Sinter Product Specification CSA and its Impacts in the Blast Furnace Process
Maxwell Pereira Cangani¹ ; Cristiane Galiazzi² ; Geovane Silva³ ; Rafael Pereira² ; ¹thyssenkrupp - Companhia Sider�rgica do Atl�ntico (CSA), Rio de Janeiro, Brazil; ²thyssenkrupp - Companhia Siderurgica do Atlantico (CSA), Rio de Janeiro, Brazil; ³Thyssenkrupp CSA, Rio de Janeiro, Brazil;
Paper Id: 316 [Abstract]

With the expansion of iron ore production in the iron ore quadrilateral in Minas Gerais, the lithology and the quality profile of the ores have significantly changed in recent years, to the iron ore notably received in the CSA from the second half of 2014. This has generated a strong impact in the Sintering and Blast Furnace processes, and there was a reduction in the share of hematite iron ore and an increase of itabirite iron ore. As a consequence, there was a significant increase of the silica, phosphorus, and alumina contents in the sinter feed and granulated ore. In this context, it is necessary to change the sinter product specification to be more comprehensive qualitatively and more restrictive quantitatively, in order to improve the performance and stability of the Blast Furnaces, in view of the new quality profile of iron ore.

16:00: [IronMonAM08]
Research of Applying Rare-Earth Metals to Improve the Quality of Transport Steels
Leonid Smirnov¹ ; ¹, Ekaterinburg, Russian Federation;
Paper Id: 78 [Abstract]

Analysis of the non-metal inclusions forming in the case of the adding of rare-earth metals in high-carbon steels for transport applications and the evaluation of the treatment effect on their mechanical properties were performed. Experimental high-carbon steels were produced under follow schedules: I � EAF � LF � VD � continuous-cast-slab � rolled rails; II � LD � LF � RH � round continuous-cast-slab � rolled steel for wheels. Alloy (63,5-66,8 % Ce, 32,9-36,1 % La) was used for modification of steel during the ladle treatment before and after degassing. The specimens for determining of inclusions composition were collected from the ladle and from rolled rail and wheel before and after degassing. Scanning electron microscope JEOL JSM-5900 LV with X-ray spectrometer INCA Energy 250 with zooms from 100 to 4000 and MIRAZ TESCAN with zoom up to 15000 were applied for examination of the inclusions. It has been established that the composition and quantity of inclusions in the case of steel modification with REM depend on the time point of the adding of REM and on the technology of deoxidizing and adding of carbon during the ladle treatment. If the deoxidizing of steel with aluminum and the treatment with silicocalcium was not applied then in the case of modification with REM Ce and La oxysulfides with variable composition was formed mainly. These inclusions may contain impurities of Ca and primary oxide inclusion elements or do not contain them. In the case of aluminum-alloying steel treatments with REM and with silicocalcium are combined, the Ca, Ce and La oxysulfides, Al, Ce and La complex oxides and Ca sulfides was main kinds of inclusions. The size of majority of inclusions did not exceed 5-6 micrometers. The modification of steel with REM decreased the quantity of oxide inclusions in the steel. In case of the quantity of dispersed REM inclusions is increased, the narrowing of pouring nozzle may occurs without the inclusion deposition on the refractory, which obviously is related to that the temperature gape of the crystallization is decreased. Furthermore the declining of inhomogeneity level of cast slabs and structure refinement should be noted. In the terms of the chemical composition the experimental rails may be referred to rails for general purpose. After heat treatment under schedule developed for rails for general purposes the experimental rails showed higher toughness at a temperature +20 C and higher cross section reduction after tensile test. After the heat treatment under schedule developed for low-temperature rails the experimental rails meet the requirements for this type of rails. But the commercialized steel for low-temperature rails contains more nickel and fewer carbon to meet the toughness requirements. The essential deference between the microstructure of rail steel modified with REM and current steel was not observed. The main structural constituent is dispersed lamellar perlite with scattered regions of ferrite in the borders of perlite fields. The modification of steel had not influenced on the structure parameters. It may be concluded that higher toughness and plasticity of experimental rails are caused by the lower quantity of non-metal inclusions.

SESSION: IronTueAM-R10	5th Intl. Symp. on Advanced Sustainable Iron and Steel Making
Tue Oct, 24 2017	Room: Maria Mercedes & Maria Beatriz
Session Chairs: Jose Carlos D Abreu; Paulo Von Kruger; Session Monitor: TBA

11:00: [IronTueAM01] Keynote
[Oxygen applications for sustainable steelmaking/steel melting] Self-Reducing Agglomerates: Metallization, Phase Morphologies and Carburization Kinetics
Edelink Efrain Tinoco Falero¹ ; Jose Carlos D Abreu¹ ; Karla Ohler Martins² ; ¹PUC-Rio, Rio de Janeiro, Brazil; ²University of Applied Sciences Ruhr West, Mulheim, Germany (Deutschland);
Paper Id: 173 [Abstract]

Assessments on the metallic iron phase morphology and carbon content, regarding the reduction of composite briquettes, were originally obtained. Targeting to appraise the nucleation, growth and the carburizing evolution of the metallic iron phase, the briquettes were firstly reduced in temperatures from 1000 to 1350�C, during times ranging from 5 to 45 minutes, under CO and N2 atmospheres. With the objective to define the microstructures formed along the briquette�s cross sections, they were examined in Optical and SEM microscopes and submitted to a Chemical Micro Analyzer. Four metallic iron phase morphologies were characterized: i) iron granules, generated during the initial reduction times and nucleated at both, the peripheral and core regions; ii) iron whiskers, occurring mainly at the briquette�s core and for short reduction times; iii) sintered and dense external continuous iron layer, located at the periphery and formed for longer times, and iv) iron globules, generated from previously molten carburized iron phases, sited at the briquette�s core for longer reduction times. The following carbon percentage were obtained in the main iron phases: i) iron globules: from 3.8 to 4.6%C, for CO atmosphere, and from 3.5 to 4.5%C, for N2; ii) continuous iron layer: from 0.5 to 1.3%C, for CO atmosphere, and from 0.7 to 0.9%C, for N2 furnace atmosphere. Finally, regarding the carburization kinetics of the liquid iron phase, the following parameters were calculated: i) 26.4 kJ/molC, for apparent activation energy; ii) 46.9 MHz, for frequency factor.

11:30: [IronTueAM02]
The Approach of Industrial Ecology for Long Term Solutions for Industrial Wastes
Paulo Von Kruger¹ ; ¹MVK Consultoria e Treinamento, Belo Horizonte, Brazil;
Paper Id: 46 [Abstract]

Waste generation is an unavoidable consequence of any industrial process. Generally speaking, it can be said that the many of the adopted solutions aims only the attending of regulatory constraints from official agencies. Normally, when these solutions result in economic benefits, it is not more than a coincidence. This comes from the misconception that wastes are unrecoverable losses and those who generate it are villains that must be permanently watched. Industrial Ecology seeks to emulate mature ecological systems in order to reduce environmental impacts through maximized efficiency of energy and resource inputs and the minimization of unutilized waste. Through these initiatives, industry has found ways to increase efficiency and turn waste into useful products. In this paper, this approach is proposed. For illustrating purposes, a case study is presented where an integrated steel plant is considered as the core of an industrial complex. In it, wastes are considered as raw materials/products whose properties and potential end uses will be the guidelines for the election of the kind of the future industries, that will constitute the future Industrial Ecology Complex. As will be shown, the main goal is towards the zero waste generation from the Complex.

12:00: [IronTueAM03]
Cleaning Process of the Coarse Steel Maker Sludge with Recovery of the Metallic Content and Consequent Carbon Sequestration
Erivelto Souza¹ ; Fernando Gabriel Silva Araujo² ; Cristovam Paes Oliveira³ ; Jose Emanuel Lopes Gomes³ ; ¹Universidade Federal de Sao Joao Del-Rei, Ouro Branco, Brazil; ²UNIVERSIDADE FEDERAL DE OURO PRETO, Ouro Preto, Brazil; ³Fundacao Gorceix, Ouro Preto, Brazil;
Paper Id: 200 [Abstract]

This work describes a process of steel waste treatment— primarily steelmaking— of thick sludge, through a technique of ultrasonic bombing aiming to recover the metal content of this waste. During the manufacturing process of steel in LD converters, the liquid iron designed in oxidizing atmosphere converter, solidifies in the form of small spheres with a wide range of sizes. However, not all the spheres are perfect, because some will ultimately not be able to complete spheres formation due to variations in size, cooling speed, and surface tensions. The smaller the size of the spherical particles, the greater the degree of oxidation, which forms a dust that generates a "cement" ligand upon contact with water, and aggregates the other spheres with non-metallic particles involved in the production of steel (slag; Coke; Cao; etc.). This "dust" fills even some of the cavities’ hollow spheres. After washing of gases, the "sludge" formed will contain steel bead, which will then be bonded with each other and with impurities through the aggregate action of fine particles, here called "dust". The technique in question consists of the application of ultrasonic waves on a pulp, formed by the addition of water to the thick sludge. This ultrasonic bombing promotes dispersion of micro-particles of sludge binders and, consequently, of larger particles, causing individualization and cleaning of the interior of the hollow particles. After the break, the particles that make up the pulp will be completely released. The pulp is then forwarded to a gravity concentration step for recovery of spherical particles of high metal content (90 to 96% Fe). Each ton of recovered metallic material is used as scrap in steel fabrication while avoiding the consumption of 1.4 t of ore, 1.5 t of CO2 generated, and 440 kg of Coke consumption, to the same productivity of steel.

12:30: [IronTueAM04]
Prediction of Strength and Productivity of Sinter by using the Various Physicochemical Properties of Iron Ores
Young-cheol Yang¹ ; ¹POSCO, Pohang-si, Korea (Republic of [South] Korea);
Paper Id: 53 [Abstract]

Raw materials of iron ore sinter are made up of a mixture of various iron ore brands. And, depending on the type of blend condition of iron ores, the qualities of sinter and operation result will vary. Therefore, every time we evaluate new iron ore or set up a suitable blend condition, a complex and difficult sintering simulation (pot test) should have been performed repeatedly for each case. To solve these difficulties, a quality prediction model of iron ore sinter is needed, using various properties of ores. The characteristics of iron ores were extensively analyzed in terms of chemistry, mineralogy, physical properties, reactivity, granulation properties and sintering performances. A database of these characteristics of iron ore brands was built up. Models to predict the strength, yield and productivity of sinter were developed based on the database and their applicability was checked through pot tests. The correlation coefficients between prediction models(SSI, Sinter Strength Index and SPI, Sinter Productivity Index) and sintering indices(TI, Tumbler Index and Productivity) from pot tests indicated 0.79 and 0.76, respectively. As a result, the models could be applied to the blending design of sinter mix according to the plant operation conditions reflecting physicochemical properties of iron ore brands.

SESSION: MetalsTuePM-R10	3rd Intl. Symp. on Sustainable Metals & Alloys Processing
Tue Oct, 24 2017	Room: Maria Mercedes & Maria Beatriz
Session Chairs: Aleksandre Kandelaki; Ashish Dawari; Session Monitor: TBA

14:30: [MetalsTuePM05] Invited
Investigation of Adiabatic Heat Rise and its Effect on Flow Stresses and Microstructural Changes During High Strain Rate Deformation of Ti6Al4V Alloy
Ashish Dawari¹ ; B.p. Kashyap² ; R.k.p. Singh² ; ¹Bharat Forge Limited, Kalyni centre for technology & innovation, Pune, India; ², , ;
Paper Id: 329 [Abstract]

During high strain rate deformation, some of the plastic work is transformed into heat. The lower thermal conductivity of Ti-6Al-4V alloys does not let the generated heat to escape easily thus producing an adiabatic system. Therefore, during deformation of Ti-6Al-4V alloy temperature increases called 'Adiabatic Heating'. Adiabatic heating contributes to flow softening in the stress-strain response of the material. Adiabatic heat rise and volume fraction of a phase in this two phase alloy has a strong influence on its hot deformation behavior. Hot compression tests were conducted on Gleeble 3500 thermo-mechanical simulator with cylindrical specimens in the temperature range of 700 - 1000 °C and strain rate range of 1 - 100 s-1 up to a true strain of 0.7. Experimental results show that the flow stress of Ti-6Al-4V alloy decreases with the increase in temperature and decrease in strain rate. Temperature rise due to adiabatic heating has been measured through K-type thermocouple. Adiabatic temperature rise contributes to increase in the volume fraction of a phase. Maximum temperature rise is observed to be 103 °C at strain rate of 100 s -1 and test temperature of 700 °C. Fraction increase in a phase due to adiabatic heating has been analyzed and an attempt has been made to co-relate it with Zener- Hollomon parameter (Z). The a volume fraction increases with temperature and strain rate. Z parameter and a volume fraction relation fits well by exponential relation for a given strain rate.

15:00: [MetalsTueAM06]
Pyrometallurgical Processing of Different Arsenic Materials and Waste with Arsenic Output to Compact Non-toxic Product
Viktor Shumskiy¹ ; V.v. Klimenko² ; A.m. Mikhailov² ; ¹VNIItsvetmet, Ust-Kamenogorsk, Kazakhstan; ², , ;
Paper Id: 152 [Abstract]

Increase of arsenic grade in the feed which is processed at different pyrometallurgical operations causes significant complication of the processes, because efficient capturing and disposal of the toxic arsenic-bearing dusts and slurries are required. The general way of arsenic recovery from pyrometallurgical products consists of arsenic transfer from these products to arsenites and arsenates which are slightly soluble in water, followed by burial at special deposits. Low bulk weight of arsenites and arsenates along with their decomposition when contacting the atmosphere resulted in generation of water-soluble arsenic compounds, require considerable expenses for storage of these toxic wastes. Arsenic transfer from arsenites and arsenates to more compact and less toxic product, ferric-arsenic alloy (ferric speiss) for example, allows reduction of the expenses and increase of ecological safety. This material which is almost insoluble in water and inert to atmospheric impacts can easily be stored at the open areas in a view of cast blocks. The research results presented in the paper proved the possibility and determined the conditions for efficient pyrometallurgical processing of different arsenic-bearing feed resulted in transfer of the arsenic to ferric speiss.

15:30: [MetalsTueAM07]
Impact of Refractory Lining in the Life-cycle of a 42 MW Electric Arc Furnace for Fe-Ni Production in Newco Ferronikeli
Shefik Imeri¹ ; Naim Tahiraj² ; Florian Kongoli³ ; ¹MIM-GOLESH, Prishtina, Kosovo; ²Newco Ferronikeli Complex, Prishtina, Kosovo; ³Flogen Technologies Inc., Mont-Royal, Canada;
Paper Id: 47 [Abstract]

The impact of two different types of refractory materials and layout in the life cycle of an electro-reduction Fe-Ni arc furnace, during regular production periods, with two different refractory lining materials, are described. It is shown the refractory lining consisting of a combination of magnesite bricks in vertical walls and graphite blocks in the slag levels has a life cycle about 3 times higher compared to the case when all walls were lined with magnesite bricks only. It was also found that although graphite blocks are very resistant to the molten slag, they are vulnerable to molten Fe-Ni alloy, which dilute carbon in it from graphite blocks. In order to avoid this, a modification has been proposed for the layout of the combined refractory lining that prevents the contact of graphite blocks with molten Fe-Ni when raising bath levels of molten metal inside the furnace occur, thus prohibiting carbon from dissolving into the molten alloy. This modification further increases the life cycle of the furnace refractory. This work is part of a long-term project undertaken in cooperation with FLOGEN Technologies Inc. In a subsequent future article, an overall physical simulation of all the above-mentioned phenomena will be presented.

16:00: [MetalsTueAM08]
Heat-Resistant and Refractory Alloys for Special Destination
Aleksandre Kandelaki¹ ; Omar Mikadze² ; George Mikadze² ; Zurab Mirijanashvili³ ; Vazha Garibashvili¹ ; ¹Ferdinand Tavadze Institute of Metallurgy and Materials Science, Tbilisi, Georgia; ²Georgian Technical University, Tbilisi, Georgia; ³Ferdinand Tavadze Institute of metallurgy and Materials Science, Tbilisi, Georgia;
Paper Id: 91 [Abstract]

The intensive progress of the various modern technologies (aeronautics, space exploration, nuclear energy, etc.) causes the need for the new structural materials operating in extreme conditions (high temperatures, aggressive media, high mechanical loads, etc.). However, the practice shows that tailoring of materials with the combination of all required properties is a rather hard task. As a result, the technique of coating used to protect refractory matrix from corrosion- and wear-resistance, radiation, etc. acquires special relevance. A heat-resistant high-chromium alloy (Fe-45%Cr -4% Al) doped with the rare earth metals (0.25% La or Y), was found to be a protective material to the refractory matrix [Georgian Patent, P 3273, 24.06.2002, O.Mikadze, E.Kutelia et al.]. For the reliable protection of alloys of this system from long-term oxidation, it is necessary that the formed protective layer of Al2O3 would remain entirely solid and should not exfoliate when cooled. This problem can be solved by alloying the Fe-Cr-Al matrix with highly active, primarily rare earth elements. In the present work, for similar purposes, the authors offer an iron-chromium alloy (up to 16% Cr) doped with Zr and Ce (Fe-16%Cr-5,0%Al-0,5%Zr -0,3%Ce). Adding of Ce changes the mechanism of formation of the protective oxide (Al2O3) layer at the metal-coating interface, resulting in the improved properties (adhesion, abrasion resistance, strength characteristics, etc.). Positive influence of Ce on the formation of a protective oxide (Al2O3) layer is enhanced by its co-doping with Zr. Here an economic aspect of the technology is an important factor - it is significantly cheaper. The reduced chromium content (to 16%) makes it possible to provide air melting under flux and fabricate the product easy to forge, roll and process by cutting. Ingots of the produced material were prepared in magnesite crucibles by induction melting under flux. Cylindrical samples (d=10mm and h=20 mm) were cut from the ingots rolled at T≈1,000°C. The samples were tested on heat resistance (at 1,200°C and 1,300°C in the air and at 1300±50°C in the atmosphere of combustion products of gaseous fuels); The initial stages of oxidation were studied by the method of continuous weighing on the installation 'SETARAM'; long stages - by the method of periodic weighing. The samples of the refractory matrix were coated by using the method of electron beam evaporation followed by condensation. Morphology of the metal-coating interface layer was studied on the SEM (DSM-960, Zeiss, Germany). The chemical composition and the concentration distribution of the elements in the scale determined by X-ray microanalysis (COMIBAX, CAMECA). In this way, a special alloy (Fe-16,0%Cr-5,0%Al-0,5%Zr-0,3%Се) has been developed for protective coating of heat-resistant matrix; Doping of the alloy with Zr and Ce improves some tribological properties of the coatings; The developed alloy is recommended to protect operating units of power plants from degradation of their high-temperature properties.

SESSION: MetalsWedAM-R10	3rd Intl. Symp. on Sustainable Metals & Alloys Processing
Wed Oct, 25 2017	Room: Maria Mercedes & Maria Beatriz
Session Chairs: Vera Vorob'eva; Ranjit Dalwatkar; Session Monitor: TBA

11:00: [MetalsWedAM01]
Three-Dimensional Computer Models as a Tool for Verification of Phase Diagrams
Vera Vorob'eva¹ ; Vasily Lutsyk¹ ; Maria Parfenova² ; ¹Institute of Physical Materials Science SB RAS, Ulan-Ude, Russian Federation; ²Tomsk State University of Control Systems and Radio-electronics, Tomsk, Russian Federation;
Paper Id: 80 [Abstract]

The innovation technology of assembling the space models of multidimensional phase diagrams from the entire totality of the geometric images corresponding to them is proposed. Basic principle of the design of the three-dimensional (3D) computer model of the ternary system T-x-y diagram is the assembling of 3D objects of its surfaces and phase regions. Finished T-x-y diagram 3D model allows to construct any arbitrarily assigned sections and to calculate mass balances of the coexisting phases in all stages of the crystallization for any arbitrarily assigned concentration. Moreover 3D computer models of phase diagrams are an effective tool for the verification of those experimentally constructed isothermal sections and isopleths, i.e., for checking the correctness of the interpretation of data, obtained from the experiment and the thermodynamic calculation. Such possibilities of 3D models can be seen on the examples of the using of the metal systems T-x-y diagrams - the bases of the creation of the materials, promising as the lead-free solders (Au-Ge-Sn, Ag-Ge-Sb, Ag-Au-Bi, Ag-Sb-Sn, Au-Bi-Sb, and so on). Their published data are not always deprived of contradictions. So, it is convenient to use the 3D computer models of T-x-y diagrams, designed according to the data of the different authors, for the agreement of the sections and for searching of contradictions in calculations or incorrect interpretation of experiment. This work was been performed under the program of fundamental research SB RAS (project 0336-2016-0006), it was partially supported by the RFBR (projects 15-43-04304, 17-08-00875) and the RSF (project 17-19-01171).

11:30: [MetalsWedAM02]
Effect of Austempering Temperature and Time on Mechanical Properties of SAE 9260 Steel
Ranjit Dalwatkar¹ ; ¹Bharat Forge Ltd, Pune India., Pune, India;
Paper Id: 309 [Abstract]

This work describes the effect of austempering heat treatment on microstructure and mechanical properties of SAE 9260 steel. Steel samples, austenitized at 900 C for one hour, were isothermally heat-treated in the temperature range 300 to 350 C for different lengths of time. Microstructural characterization was carried out using optical and scanning electron microscopes. The microstructure of the austempered samples consisted of bainitic ferrite and retained austenite. The volume fraction of retained austenite was determined using X-ray diffraction. Isothermal heat treatment at 350 C for 20 min, resulted in a retained austenite content of around 38% in the microstructure. The increase in isothermal transformation temperature led to an increase in the fraction of retained austenite. Additionally, a good combination of strength and ductility was obtained in the samples with increased amounts of retained austenite.

SESSION: AdvancedMaterialsWedPM-R10	Marquis International Symposium on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development(3rd Intl Symp. on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development)
Wed Oct, 25 2017	Room: Maria Mercedes & Maria Beatriz
Session Chairs: Burcak Ebin; Varvara Karagkiozaki; Session Monitor: TBA

14:30: [AdvancedMaterialsWedPM05] Plenary
Nanomedicine Targeting Atherosclerosis
Varvara Karagkiozaki¹ ; ¹Aristotle University of Thessaloniki, Greece, Thessaloniki, Greece;
Paper Id: 171 [Abstract]

Cardiovascular diseases constitute a major public health concern in industrialized world. Nanomedicine provides a new paradigm of rational delivery of therapeutic and diagnostic agents to the diseased sites that renders site specific therapy. In the case of atherosclerosis, the detection of vulnerable plaques that are prone to rupture is a challenge that needs to be addressed for the reduction of incidence of heart attack and stroke in younger patients. This talk focuses on Nanomedical strategies targeting atherosclerosis and potential molecular targets within the atherosclerotic plaques to regress their progression. An overview of the diversity of the nanoparticulate systems with surface ligands targeted for macrophages and other cell types of the vulnerable plaques will be given in line with drug delivery systems that elicit anti-inflammatory/-oxidant drugs. Tissue regeneration activities are essential for dealing with the late stent thrombosis of drug eluting stents (DES) that it is mainly caused by delayed endothelialization. These new perspectives under the implementation of nanomedicine aimed for atherosclerosis will be highlighted providing intelligent solutions for atherosclerosis accurate diagnosis and effective therapy. Relevant Publications 1. Karagkiozaki V. Nanomedicine Highlights in Atherosclerosis: A Review.,J. Nanopart. Res. 2013; 15:1529. 2. Karagkiozaki V, Logothetidis S et al. Nanomedicine for Atherosclerosis: Molecular Imaging. and Treatment. J Biomed Nanotechnol. 2015;11(2):191-210. 3. Karagkiozaki V. Horizons in Clinical Nanomedicine Book, Ed. V. Karagkiozaki and S. Logothetidis, Pan Stanford Publishing, 2014.

15:00: [AdvancedMaterialsWedAM06]
A Pyrometallurgical Process to Recover the Zinc and Manganese from Spent Batteries
Burcak Ebin¹ ; Martina Petranikova¹ ; Britt-marie Steenari¹ ; Christian Ekberg¹ ; ¹Chalmers University of Technology, Gothenburg, Sweden;
Paper Id: 68 [Abstract]

Spent primary batteries have been considering as a valuable resource for metallurgical industry due to their high metallic content of such as iron, zinc and manganese. However technological level of recycling processes are not sufficient for the widespread recovery of the spent batteries. Currently, pyrometallurgical processes are generally used to reclaim the spent primary batteries as an alloying additive for steel industry. However, such as Zn, which is highly concentrated in the spent batteries, evaporates at the process temperature and usually collected in the steel making dust with other elements, which is difficult to recycle. On the other hand several hydrometallurgical processes were also developed to recover the valuable metals from the spent batteries. The basic steps of the hydrometallurgical approach are leaching of the spent batteries, solvent extraction, and at last electrolysis and/or precipitation. Although, there is some techniques to recover the metals from spent primary batteries, an innovative recycling processes should be developed to ensure economical non-ferrous resources, as well as to support sustainable development. In this study, a pyrolysis process was studied for one-step recovery of zinc and manganese oxides in the form of fine particles from the spent household batteries. The recovery from battery waste depends on several parameters including pretreatments to the battery waste, process temperature, gas flow rate, residence time, type of reducing agent and feeding amount. The recovery amount and the recycled material properties from spent batteries were investigated by developed pyrolysis process. Material characterization methods, such as eelectron microscopy, X-ray diffraction and elemental analysis were performed by inductively coupled plasma (ICP) and energy dispersive spectroscopy (EDS) to determine the particle size and morphological properties, crystal structure and chemical composition of both industrial pre-treated starting material and products. The energy consumption and carbon footprint of the optimized process was also analyzed. The results show that process temperature and reducing agent amount are dominant factors affecting the Zn recovery. The recovered metallic Zn particles are in submicron size range. The residue composes of manganese oxides and the oxidation state of the manganese can be controlled.

15:30: [AdvancedMaterialsWedAM07]
Low Temperature Technology Receiving Nano Scale Metal Oxides
Zurab Kushitashvili¹ ; Amiran Bibilashvili² ; ¹LEPL Micro and Nanoelectronics Institute, Rustavi, Georgia; ²LEPL Micro and Nanoelectronics Institute, Tbilisi, Georgia;
Paper Id: 64 [Abstract]

Research object is to receiving thin dielectric films by using low-temperature technology. In general, field of using dielectric materials is quite diverse. Research and using such materials for different purposes and fields such as electronics, optics, renewable energy (solar cells), ceramics, medical, food and many others are of interest. Dielectric is a main component for the integrated circuit, which is responsible for the electrical isolation of the circuit elements, the active element in the field effect transistors as a gate dielectric and generally in the metal-oxide-semiconductor (MOS) structures. Formation of dielectric films in the world happens in high temperatures (11000C). At this temperatures take place diffusion of unwanted impurities, increasing porosity, becoming worst adhesion to the substrate and etc. All of this influences badly on the parameters of nano-scale devices. Progress in the development of nanotechnologies the high temperature became unsupportive process, because reducing the size of the nanostructures it changes physical and chemical properties of the material. In this report considered plasma anodizing process with ultra violet stimulation for receiving metal oxides. This process carries out at relatively low temperature (4000C) and distinguished as a clean, vacuum and easy process. By plasma anodizing in a 3-5 minutes can be done 50-100nm thickness oxide layers. In the experiments were used Titanium (Ti), Hafnium (Hf) and Zirconium (Zr) as a metals deposited onto silicon substrate and following oxidation by plasma anodizing. The properties of received oxides TiO2, HfO2 and ZrO2 were characterized by C-V and I-V measurement, XRD diffractometer and SEM measurements. TiO2 revealed good photocatalytic and high dielectric constant properties, HfO2 and ZrO2 good electric properties as a gate dielectric for MOS field transistors and for memristive device - memristor.

16:00: [AdvancedMaterialsWedAM08]
Direct Laser Cladding an Emerging Technique for Development of Component
Jyotsna Dutta Majumdar¹ ; ¹Indian Institute of Technology Kharagpur, Kharagpur, India;
Paper Id: 282 [Abstract]

Direct laser cladding refers to development of component by melting the materials in the form of powder or wire and subsequently, deposition of the molten materials on a dummy substrate in a layer by layer fashion to achieve the near net shape using computer aided designing. The process may be applied to develop metals/alloys, metal matrix composite and intermetallics. The advantages associated with direct laser cladding include ability to deliver near net shape product by one step processing, faster processing speed, scope of automation, and retention of metastability in the microstructure resulting in developing components with tailored properties are the advantages associated with direct laser cladding. However, commercialization of the technology demands extensive information on process parameters for the development of defect free components with a minimum residual stress in different metallic systems. In the present contribution, the development and processing of AISI 316 L stainless steel and its composite, titanium based composite and the graded component will be discussed in details. In addition, the future scope of research and development in this area will also be discussed.

SESSION: AdvancedMaterialsThuAM-R10	Marquis International Symposium on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development(3rd Intl Symp. on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development)
Thu Oct, 26 2017	Room: Maria Mercedes & Maria Beatriz
Session Chairs: Rui Vilar; Hideki Koyanaka; Session Monitor: TBA

11:00: [AdvancedMaterialsThuAM01] Keynote
Ultrafast Laser Surface Nanostructuring: Surface Topography, Texture Formation Mechanisms, Surface Properties and engineering applications
Vitor Oliveira¹ ; Rui Vilar² ; ¹Instituto Superior de Engenharia de Lisboa, Lisbon, Portugal; ²Instituto Superior Tecnico, Lisboa, Portugal;
Paper Id: 104 [Abstract]

Ultrafast lasers allow creating a range of nanoscale surface features that allow controlling important surface properties such as wetting and the friction coefficient. The most important of these surface nanostructures in what concerns potential applications are Laser-induced Periodic Surface Structures (LIPSS), which are surface patterns consisting of parallel ripples oriented perpendicularly to the beam polarization that are produced on materials surfaces by laser treatment with fluences slightly higher than the material ablation threshold and for a few tens of laser pulses. Their period is slightly smaller than the radiation wavelength, typically 500-800 nm for near infrared lasers. The formation of these ripples is usually explained by a periodic modulation of the absorbed radiation intensity due to the interference of the incident laser beam with a surface electromagnetic wave generated by the laser radiation on irregularities of the material's surface, but the mechanisms that the lead to the imprinting of this modulation on the surface were scarcely investigated. In the presentation we will describe results of a study of the mechanisms leading to the imprinting of LIPSS on Ni and Ti surfaces of Ni/Ti multi-layered samples prepared by magnetron sputtering and irradiated with ultrafast laser pulses. The analysis of the multilayer cross-sections by TEM and comparison with molecular dynamics Ni ablation simulations carried out by Zhigilei and co-workers show that, in these metals, the periodic variation of the absorbed radiation intensity leads to a variation of the predominant ablation mechanisms and, consequently, of the ablation rate, thus explaining the rippled surface topography. The influence of these nanostructures on the wettability of Ti and Ti-6Al-4V surfaces and on their ability to affect mesenchymal cells behavior in order to improve osseointegration will be presented as well. Other properties of these surfaces and their potential applications will be discussed.

11:30: [AdvancedMaterialsThuAM02]
Effect of Crystal Structure in Manganese Dioxide for Water Purification
Hideki Koyanaka¹ ; ¹Forward Science Laboratory Ltd., Oita, Japan;
Paper Id: 291 [Abstract]

Manganese dioxide (MnO2) crystallizes into various phases including &#945;-type (hollandite; tetragonal), &#946;-type (pyrolusite; rutile), &#955;-type (spinel; cubic), &#949;-type (hexagonal), r-type (ramsdellite; orthorhombic), and &#947;-type (nsutite; r-type containing &#946;, and &#949;-types as the intergrowths in the structure), etc. The crystal structures of manganese dioxide all contain a fundamental building block of MnO6 octahedron. And the block of MnO6 queues up in various arrays to construct the different crystal structures described above. However, the oxygen array of the crystal lattice usually features other octahedral and tetrahedral sites that may accommodate Mn and other cations via subtle distortion/tilting of the MnO6 octahedra and/or formation of oxygen defects. This variation of crystal structure gives rise to a variety of very intriguing physical and chemical functions. Thus, many functions have been studying for such applications as battery materials, ion-exchangers, heavy-metals adsorbents, sensor electrolytes, catalysis of the oxygen evolution core in chloroplasts, etc. Almost all these functions relate to the protonations in MnO2 based on the interactions with water. The protonation capabilities of MnO2 strongly depend on the difference in crystal structures. A key factor in useful protonations is a strong hydrogen-bonding between protons and oxygen-pairs in the crystal structures, in order to provide such important basic properties as proton conduction, proton storage, and water oxidation. In this report, the experimental results using different MnO2 crystal structures for removing such toxic materials as tritium, cadmium, and arsenic from water are discussed.

12:00: [AdvancedMaterialsThuAM03]
Non-Pt based Nanoparticles as Low Cost, Highly Efficient and Robust Catalysts Alternative to Pt in Fuel Cell Applications
Sebastian Chirambatte Peter¹ ; ¹Jawaharlal Nehru Centre for Advanced Scientific Research, Bengaluru, India;
Paper Id: 292 [Abstract]

Renewable energy sources such as wind and solar power plants are currently installing to generate electricity and reduce CO2 emissions. However, one of the drawbacks of these energy sources is their availability. Hence renewable power plants either have to be over-engineered to take account of this lower capacity factor, or they must be supported by fast-response open-cycle gas turbines, which also develop environmental issues. The alternate way of solve the energy issue is to store the excess renewable energy generation time for the use during periods when sufficient electricity is not available. However, storing this energy is a difficult task and can be done over a short period of time as in batteries. Energy storage in the form of hydrogen is one such possibility: excess electricity is fed into an electrolyser to split water into its constituent parts, oxygen and hydrogen. A fuel cell combines hydrogen and oxygen to produce electricity, heat, and water. Last two decades, fuel cells have been emerged as one of the most prominent alternate option to current energy conversion technologies, with particularly important applications in transportation. A wide variety of compounds, especially Pt based nanomaterials have been studied for catalytic behaviour for the electro oxidation of methanol, ethanol and formic acid, and oxygen reduction reactions. However due to the poor abundance, high cost and CO poisoning limit its commercial applications. In my talk, I will explain the synthesis aspects on the development of various non-Pt based compounds in nano dimension followed by characterization and electrochemical catalytic activity towards the oxidation of small organic molecules, oxygen reduction and hydrogen evolution reactions. We have strategically used alloying, dealloying, generation of defects, control of size and morphology, designing suitable support to develop active materials. The catalytic activity of a few compounds found par or better than current state-of-the-art Pt based materials. The experimental results are very well supported by the theoretical calculations.

12:30: [AdvancedMaterialsThuAM04]
BH3CN Anion-based Hypergolic Hydrophobic Ionic Liquids
Vikas K Bhosale¹ ; ¹Defence Institute of Advanced Technology, Pune, India;
Paper Id: 306 [Abstract]

Hypergolic fuels (auto ignition with storable oxidizers) have special importance in liquid rocket propulsion, because it gives the better thrust control, eliminates external ignition source, and provides an ability to restart the mission having multiple operations. However, conventional hypergolic fuel (Hydrazine, monomethyl hydrazine MMH, unsymmetrical hydrazine UDMH, etc.) have severe limitations viz., high vapor pressure (e.g hydrazine, 14.4 mmHg), extreme respiratory and dermatological toxicity; and therefore requires safety precautions. Hence, it is essential to develop new environmental friendly hypergolic fuels. Recently, ionic liquids (HILs, liquid salts having negligible vapor pressure) have steered keen interest towards the liquid hypergolic fuel. Nevertheless, ultrafast igniting hydrophobic ILs have been a major challenge in hypergolic ionic liquids, because as ions absorb the moisture content, they reduce the performance of hypergolic fuel. Authors explored ultrafast igniting cyanoborohydride based hydrophobic ILs with imidazolium cationic core, for the very first time. The physicochemical properties (melting and decomposition temperature, density and viscosity) and performance evaluation (heat of formation, ignition delay, and specific impulse) of ILs were found to be astonishingly admirable. The studies evaluating the role of cationic hydrocarbon chain of ILs on the properties of hypergolic fuel were carried out. All the ILs were liquid at room temperature and exhibited a positive heat of formation. Consequently, hydrolytic stability of ILs was thoroughly investigated under standard environmental conditions. ILs, 1, 3-diallyl-imidazolium cyanoborohydride, 1-allyl-3-butyl imidazolium cyanoborohydride and 1-allyl-3-octyl imidazolium cyanoborohydride were insoluble with water. The moisture study of ILs was investigated by using FTIR and moisture analyzer. ILs with unsaturated and long alkyl chain of imidazolium cations with cyanoborohydride anion based ILs were found to exhibit more stability in comparison to DCA anion based ILs. The hydrophobic IL 1, 3-diallyl-imidazolium cyanoborohydride exhibited the shortest ignition delay of 1.8 ms with WFNA and IL, 1-allyl-3-ethyl imidazolium cyanoborohydride presented the lowest viscosity of 16.62 mPa�s. Therefore, these ILs can be suggested as potential candidate to replace the conventional toxic hypergolic fuels.

SESSION: AdvancedMaterialsThuPM-R10	Marquis International Symposium on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development(3rd Intl Symp. on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development)
Thu Oct, 26 2017	Room: Maria Mercedes & Maria Beatriz
Session Chairs: Artem Lunev; Indranil Manna; Session Monitor: TBA

14:30: [AdvancedMaterialsThuPM05] Invited
Laser Assisted Surface Engineering for Enhanced Wear, Corrosion and Oxidation Resistance in Metallic Alloys
Indranil Manna¹ ; ¹Indian Institute of Technology Kanpur, Kanpur, India;
Paper Id: 283 [Abstract]

Surface microstructure and composition play an important role in determining resistance of metallic systems and components to corrosion and oxidation in aggressive environment. Hence tailoring and protecting the surface in lieu modifying the entire bulk, commonly referred to as surface engineering is a convenient, logical, economical and effective way of enhancing the performance and service life of various engineering components employed in static or dynamic conditions for applications ranging from micro/miniature devices to mega/large machines exposed to aggressive environment for corrosion/erosion at ambient or elevated temperature. Light amplification by stimulated emission of radiation (laser) offers a non-contact, coherent, monochromatic and directed energy beam of sufficient power density to heat, melt or vaporize almost all solids with unparalleled precision/accuracy that enables tailoring the surface microstructure and/or composition with rare precision, flexibility and novelty. In the present talk, the principle, mechanism and utility of laser assisted surface engineering will be highlighted as examples of tailoring the microstructure (identity, size, shape and distribution of phases) of selected metallic alloys for enhanced wear, corrosion/oxidation resistance, refurbishment by cladding and development of compositionally/microstructurally graded components. It will be evident that the final microstructure and composition of the laser irradiated zone primarily depends on the thermal history (temperature, thermal gradient, heating/cooling rate, etc) and specific material properties (composition, specific heat, thermal conductivity, etc) of the fusion/heat-affected zone. Most of the examples will be derived from the published results of this researcher and his colleagues. Finally, some allied studies on-plasma assisted surface engineering will be discussed to highlight the scope of developing nanostructured surface for improved wear/corrosion resistance of steel and non-ferrous alloys.

15:00: [AdvancedMaterialsThuAM06] Invited
Current Progress in Computer Simulation of Dislocation Plasticity in Uranium Dioxide
Artem Lunev¹ ; Sergei Starikov² ; Alexei Kuksin² ; Vasily Tseplyaev² ; ¹Joint Institute for High Temperatures of the Russian Academy of Sciences (JIHT RAS), Moscow, Russian Federation; ²JIHT RAS, MIPT, Moscow, Russian Federation;
Paper Id: 250 [Abstract]

Plasticity of oxide fuel based on uranium dioxide not only determines the material susceptibility to cracking and fracture - processes closely related to the harmful fission gas release - but also determines the structural transformations of the grain structure such as polygonization at high burn-up. To achieve a higher degree of safety in nuclear reactors, dislocation plasticity in uranium dioxide, which is one of the less-covered topic in nuclear materials science, should be studied in detail first. This may be achieved by applying several computational methods, the most helpful of which are molecular dynamics(MD) and discrete dislocation dynamics(DD). The authors would like to present their latest findings in applying these computational methods to evaluate dislocation motion in uranium dioxide and its relation with the material mechanical properties. First, the mobility of isolated &frac12;<110>{001} edge and &frac12;<110> screw dislocations was evaluated at temperatures T=500-2000K using accurate analytical description of the different modes of thermally activated dislocation motion and data obtained directly from MD simulations performed at the Supercomputing Center of the Russian Academy of Sciences using LAMMPS software. Second, the interaction of dislocations with voids was analyzed, and the unpinning mechanisms are discussed. Third, we present our latest version of our in-house two-dimensional dislocation dynamics code capable of connecting the atomic input with mechanical properties of the solid. This study was supported by the Russian Foundation for Basic Research (RFBR), research project No. 16-38-60016 (mol_a_dk).

SESSION: Non-ferrousMonAM-R1	Barrios International Symposium on Sustainable Non-ferrous Smelting and Hydro/Electrochemical Processing (5th Intl. Symp. on Sustainable Non-ferrous Smelting and Hydro/Electrochemical Processing)
Mon Oct, 23 2017	Room: Condesa II
Session Chairs: Guillermo Rios; Thomas Gonzales; Session Monitor: TBA

11:00: [Non-ferrousMonAM01]
The CESL Copper-Arsenic Process: Sustainable Processing of Enargite-Bearing Copper Concentrates
Keith Mayhew¹ ; Patricio Barrios² ; Susan Stocker¹ ; Colin Joudrie³ ; ¹Teck Resources Limited, Richmond, Canada; ²Aurubis, Hamburg, Germany (Deutschland); ³Teck Resources Limited, Vancouver, Canada;
Paper Id: 378 [Abstract]

Current practices for the processing of high-arsenic copper concentrates include: blending with large quantities of clean concentrate; roasting to produce a low-arsenic calcine; and direct smelting in a small number of custom smelters that accept arsenic-bearing concentrates. A sustainable processing alternative to process arsenic-bearing concentrates is via hydrometallurgy, including medium temperature leaching or total oxidative leaching at high temperature. The CESL Cu-As Process, a medium temperature and pressure hydrometallurgical leaching process, has achieved all operating and environment requirements in pilot and demonstration scale campaigns on several blends of high-arsenic concentrates containing up to 10% arsenic content. The benefits of the CESL Cu-As Process for processing of high-arsenic copper concentrates include >97% copper recovery to cathode coupled with >99% deportment of arsenic to stable residues with no particulate, sulphur dioxide, or liquid emissions. Short- and long-term stability tests on residue from the CESL Cu-As Process have proven the stability of arsenic in the crystalline ferric arsenates (basic ferric arsenate sulfate � �Type 2 Scorodite� � and scorodite) which presents an opportunity to sustainably and safely process high-arsenic enargite-bearing copper concentrates.

11:30: [Non-ferrousMonAM02] Plenary
Treatment of Gases from Flash Furnace and Slag Cleaning Furnace Tapping Ventilation System
Guillermo Rios¹ ; Pedro Goncalves² ; Leandro Gonzalez² ; Manuel Ramos² ; Jesus Ovalle² ; Miguel Palacios² ; ¹Atlantic Copper SLU, Huelva, Spain; ², , ;
Paper Id: 165 [Abstract]

The gases from the Flash Smelting Furnace (FSF) and the Slag Cleaning Electric Furnace (SCEF) tapping operations are conducted through exhaust hoods located in the launders, to a baghouse filter in order to meet the current emission limits established in Atlantic Copper’s Environmental Permit (EP). This off-gas stream contains 20.9% O2 at environment temperature so that, once it has been dedusted, it can be partially recirculated as blast air in the FSF, with the rest being sent into the atmosphere. Foreseeing changes in European environmental legislation, and as a result of the latest revision of the best available techniques reference document on non-ferrous metals (NFM BREF) in compliance with the European Industrial Emissions Directive 2010/75 (IED), Atlantic Copper launched a project aimed at defining the most suitable SO2 abatement treatment of FSF and SCEF tapping ventilation system off-gas. Preliminary pilot tests were performed in SCEF tapping ventilation system in 2015 and 2016, which confirmed the expected SO2 removal using Sorbacal® SP and SPS. As a result of these promising results, a third campaign of tests was carried out in 2017 that confirmed the technical feasibility of the selected technology, based on SO2 dry abatement. This paper describes the results of these pilot-testing campaigns.

12:00: [Non-ferrousMonAM03] Plenary
Comparison of Smelting Technologies for the 21st Century
Thomas Gonzales¹ ; Ian Candy² ; John Bryant¹ ; ¹Hatch Associates, Scottsdale, United States; ²Hatch Associates, Mississauga, Canada;
Paper Id: 269 [Abstract]

The Copper Smelting Industry has transitioned into the new millennium compliant with environmental regulations, new smelter installations, and brown field expansions. The industry faces new challenges to achieve economies of scale for maximizing copper throughput as copper in concentrate grades have decreased while contained impurities have increased. This paper compares Double Flash, TSL, Mitsubishi, and Bottom Blown smelting technology flexibility to process current grades of concentrate in the custom market.

12:30: [Non-ferrousMonAM04] Plenary
Optimization and Control of Hoboken Converter Operations With FLOGEN CONTOP Control Expert System
Lucas C. Vieira¹ ; Marcella F. Guzzo¹ ; Mauricio Bittencourt Marques² ; Marcos Henrique Carlos De Souza³ ; Redouane Merdjani⁴ ; Florian Kongoli⁵ ; ¹Paranapanema, Dias d'Avila, Brazil; ²Paranapanema S.A., Brazil, Dias d'Avila, Brazil; ³FLOGEN TECHNOLOGIES INC., Sao Paulo, Brazil; ⁴FLOGEN TECHNOLOGIES INC., Mont-Royal, Canada; ⁵Flogen Technologies Inc., Mont-Royal, Canada;
Paper Id: 360 [Abstract]

FLOGEN CONTOP offline and online control expert system was commissioned in Paranapanema smelter in Dias D'Avila to compare different scenarios and support for the optimization of the Hoboken Converters operation. The software results indicate the possibility to decrease the amount of silica used as a flux, minimize the slag and copper blowing time, maximize the use of reverts, minimize slag volume, and decrease copper losses in the slag. The main process parameters (such as bath temperature, Sulphur content in Blister and Copper in the slag) is calculated during the operation, providing a clearer overview of the process and supporting to determine the end of blowing based on technical evaluation. This presentation will describe some of these achievements.

SESSION: Non-ferrousMonPM-R1	Barrios International Symposium on Sustainable Non-ferrous Smelting and Hydro/Electrochemical Processing (5th Intl. Symp. on Sustainable Non-ferrous Smelting and Hydro/Electrochemical Processing)
Mon Oct, 23 2017	Room: Condesa II
Session Chairs: Miguel Angel Munoz; Dimo Kirilov; Session Monitor: TBA

14:30: [Non-ferrousMonPM05] Plenary
Pirdop Copper Plant: An Overview of its Sustainable Growth and Progress
Dimo Kirilov¹ ; ¹Aurubis Bulgaria AD, Pirdop, Bulgaria;
Paper Id: 326 [Abstract]

Pirdop copper smelter and refinery is the biggest facility for smelting and refining of copper in South-Eastern Europe. The plant was commissioned in 1958 and had an initial annual capacity of 160,000 tons of anode copper. Today the plant has reached a capacity of 350,000 tons of anode coper, 230 000 tons of cathode copper and 1,220, 000 tons of sulfuric acid. Besides copper it produces also other quantities of silver, gold and selenium. This presentation will first give an overview of the overall growth history of the copper production of Pirdop copper smelter and refinery since its commissioning in 1958 followed by an analysis of the progress achieved in the last 10 to 15 years. Major investments during this period are described along with their significant results in achieving the company sustainable development in terms of the modernization of the process and production, protecting the environment and developing the society.

15:00: [Non-ferrousMonAM06] Plenary
Cobre Las Cruces Hydrometallurgical Plant Improvements
Miguel Angel Munoz¹ ; Pablo Daniel Garcia¹ ; Enrique Delgado¹ ; ¹First Quantum Minerals Ltd, Gerena, Spain;
Paper Id: 79 [Abstract]

Since 2009, Cobre las Cruces (CLC) is operating successfully an integrated mine and hydrometallurgical plant near Seville, Spain. The CLC hydro plant deals with chalcocite ores through direct atmospheric leaching process followed by solvent extraction and electrowinning. CLC is producing about 72,000 t/y Cu cathode, Grade A, 99.999% Cu. Throughout these years, continuous improvement has been one of the main bases of CLC strategy, trying to increase the efficiency of the production process. The last steps have been to improve the copper losses. A set of press filters were installed to minimize copper losses increasing washing efficiency and produce a drier and cleaner residue. This issue allowed recovering around 1,500 additional ton of copper per year. During commissioning and startup of the new filter availability issues were detected due to gypsum scaling. To minimize this effect two pulp coolers were installed resulting an increase of 10% in availability. The new slurry cooling towers provides a more effective process configuration to CLC hydro plant, adding two additional advantages: (i) evaporated water has been substantially increased, improving the plant water balance; (ii) gypsum scaling has been reduced improving SX performance (less TSS in SX feed).

15:30: [Non-ferrousMonAM07]
Distribution Air Improvements at Rio Tinto Kennecott Copper
Bijan Shahriari¹ ; Michael Loveless² ; Maciej Jastrzebski¹ ; Kenly Ochoa³ ; Adam Blackmore¹ ; Ryan Wilde³ ; Ivan Marincic¹ ; Stephanie Gangl¹ ; Melvin Pong¹ ; Thomas Gonzales⁴ ; Volodymyr Ponomar¹ ; Rafik Chekiri⁵ ; Philippe Lavoie⁵ ; Dustin Vickress¹ ; ¹Hatch, Mississauga, Canada; ²Rio Tinto Kennecott Copper, South Jordan, United States; ³Rio Tinto Kennecott, South Jordan, United States; ⁴Hatch Associates, Scottsdale, United States; ⁵University of Toronto Institute for Aerospace Studies, Toronto, Canada;
Paper Id: 288 [Abstract]

In flash smelting and converting, burner performance depends on achieving a uniform spatial distribution of feed, and an optimal distribution of particles of different size in the feed plume. Matte and concentrate burners typically achieve this by using feed distribution air, which is introduced radially through nozzles located at the burner lance tip. Conventional distribution air nozzles comprise several cylindrical holes drilled in the outer circumference of the central jet distributor. Conventional nozzles, particularly those in flash converters and direct-to-blister furnaces, are prone to clogging by built-up accretions. This can degrade burner combustion performance over time, by introducing asymmetries to the plume and particle distribution. Due to excess clogging, these nozzles may need to be frequently cleaned, which leads to frequent furnace downtime. Recently, Hatch and Rio Tinto Kennecott Copper (RTKC) have conducted trials of new proprietary distribution air nozzle designs. Two of the nozzle designs have shown a three-fold improvement in cleaning related downtime, and a 2–3.5% reduction in oxygen requirements per ton of smelted matte. Initial observations also indicate easier to remove reaction shaft accretions using one of the nozzles. A third distribution air nozzle is scheduled to undergo testing soon, at the time of writing. The new nozzle designs represent an inexpensive, low-risk means for improving the combustion performance and maintenance requirements of flash furnaces, leading to substantial economic performance improvements.

16:00: [Non-ferrousMonAM08]
Novel Design of Ferronickel Smelting Slag by Utilizing Red Mud as a Fluxing Agent: Thermochemical Computations and Experimental Confirmation
Hyunsik Park¹ ; Byung-soo Kim¹ ; Jae-cheon Lee¹ ; ¹Korea Institute of Geoscience and Mineral Resources (KIGAM), Daejeon, Korea (Republic of [South] Korea);
Paper Id: 194 [Abstract]

The effect of red mud on the melting behavior of ferronickel slag was investigated in a laboratory-scale horizontal tube furnace. Melting and softening of slag samples fluxed with different amounts of red mud were examined by an in-situ visualization technique in the temperature ranges from 1673 K to 1823 K. FactSage�a 7.0 was used to perform thermodynamic calculations of the multi-component system of ferronickel slag and red mud. The liquid phase area was extended to lower temperatures by adding red mud, and this implied that red mud was an excellent flux. The primary solid phase field was confirmed to be dependent on the red mud content from X-ray diffraction measurements. Microscopic observations using a scanning electron microscope (SEM-EDX) confirmed that the primary solid phase changed from olivine to spinel with the addition of red mud.

SESSION: Non-ferrousTueAM-R1	Barrios International Symposium on Sustainable Non-ferrous Smelting and Hydro/Electrochemical Processing (5th Intl. Symp. on Sustainable Non-ferrous Smelting and Hydro/Electrochemical Processing)
Tue Oct, 24 2017	Room: Condesa II
Session Chairs: Yoshiei Kato; Takahiko Okura; Session Monitor: TBA

11:00: [Non-ferrousTueAM01] Plenary
Some aspects and researches on sustaining Copper extraction processes
Takahiko Okura¹ ; ¹Ehime University, Kokubunji, Japan;
Paper Id: 285 [Abstract]

Under an umbrella of the risk of climate change, the copper extraction process is seeking for the innovation in order to attain the saving energy and workload using IoT and so on. Many metallurgists are devoting their R&D activities to higher productivity and continuous smelting processes. More directly, it faces many troublesome issues such as scarcity of natural resources with lower Cu grade and higher impurity contents in its concentrates. The world needs more copper for the society amenities, then recycling from the wastes and recovery of copper from tailing dams in which some 10 - 15% of excavated copper sleeps should be accomplished. Lower Cu grade in concentrate urges the process and the industry to extract excess reaction heat in smelting furnaces, to treat bigger amount of smelting slag where the valued metals should be retrieved if possible, and to market excess sulphur by-products. Elimination and stable fixation of toxic impurities such as Hg and As are urgent concerns for metallurgists. In the paper, some ideas and research works done by the author such as copper ore leaching, elimination of arsenic from copper concentrates, recovery of molybdenum in a slag, new usage of slag, and production of elemental sulphur from smelting gas would be presented.

11:30: [Non-ferrousTueAM02]
[KIVCET] Recovery of Useful Non-Ferrous Elements in Crystalline Silicon Sollar Cells by Chemical Etching
Yoshiei Kato¹ ; Md. Azhar Uddin¹ ; Teruaki Matsubara² ; Kei Takami² ; ¹Okayama University, Okayama, Japan; ², , ;
Paper Id: 178 [Abstract]

A recycling of waste solar modules has been increased attention with development of the photovoltaic market in the world. In this study, two kinds of acid treatments were carried out to examine the optimal recovery condition of silicon and the other metal elements in waste crystalline silicon solar cells. Mixed solution of hydrofluoric acid (HF) and nitric acid (HNO3) was used to maximize the remainder of etched silicon wafer, whereas that of hydrochloric acid (HCl) and HNO3 to remove metallic elements such as silver (Ag), copper (Cu), tin (Sn), aluminum (Al) from crushed and granular mass of waste crystalline cells and obtain the maximum purified silicon particles. The effect of HF/HNO3 concentration on etching rates of several components such as Ag, Al, anti-reflection film made of silicon nitride (AR) and Si in the solar cells was made clear that Al, AR and Si etching rates peaked at the HF mole fraction of about 0.8 and depended on HF more deeply than HNO3.On the other hand, when the mixed solution of HCl and HNO3, Cu etching rate was less than the other elements such as Ag, Al, Sn etc.

12:00: [Non-ferrousTueAM03]
[KIVCET] Advanced Refractory Castables Based on Microsilica-gel Bonding System for Non-ferrous Industries
Margarita Alvarez¹ ; Ignacio Recio² ; Rodolfo Santelli³ ; Jose Maria Dominguez² ; ¹ALFRAN, Alcala de Guadaira, Spain; ²ALFRAN, ALCALA DE GUADAIRA, Spain; ³Refractarios Alfran, Santa Catarina, Mexico;
Paper Id: 94 [Abstract]

Silica-sol bonded no cement castables have been used in the refractory industry in the last years due to some important advantages such as fast dry-out, lower open porosity, very high thermal shock resistance and excellent mechanical properties at high temperature. Binder selection plays a very important role in the phase evolution, final microstructure and ending results on the field. Some of these are absolutely important skills on metal or slag contact areas, where diffusion and corrosion phenomena are one of the main wear causes. This paper is focused on main goals to be achieved, adapting the castable formulas to special requirements in some areas of Copper, Lead and Aluminum industrial processes. Cold Crushing Strength, Hot Modulus of Rupture, Young's Modulus, Dry-out obtained by Macro Thermo-Gravimetrical Test developed by ALFRAN, Corrosion test by Aluminum alloy following several standards, are some of the properties analyzed on developed materials. Furthermore, some case studies were shown, comparing the traditional LCC castables with sol-gel NCC castables performance on the field.

12:30: [Non-ferrousTueAM04]
Two-step Copper Smelting Process at Dongying Fangyuan
Zhi Wang¹ ; Haibin Wang² ; Chuanbing Wei² ; Peng Hou² ; Wuzhao Du² ; ¹DONGYING FANGYUAN NONFERROUS METALS CO., LTD., Dongying, China; ², , ;
Paper Id: 213 [Abstract]

Two-step copper smelting process (hereinafter Fangyuan process) has been recently developed and patented by Dongying Fangyuan Nonferrous Metals Co., Ltd. and Shandong Fangyuan Nonferrous Metals S&T Co., Ltd ((hereinafter Fangyuan Company). This is the first and only process of this kind to directly produce anode copper by two steps in the world. This new technology to produce anode copper from concentrate includes two steps and can be summarized below. The raw materials, including concentrates and flux, are simply mixed without pretreatment and fed into Submerged Lance Smelting Furnace (SLS). High grade and hot white metal produced by SLS is sent to Submerged Lance Converting Refining Furnace (SLCR) via matte conduit. Two SLCRs work in turn to produce anode copper in order to maintain continuous operation of the whole production system. The new technology started its operation in October 2015 with the capacity to treat 1.75 Mt/a mixed minerals proved with various advantages. This paper will describe the industrialization application and development process of new technology at Fangyuan Company, with detailed discussion about its operation conditions and technical parameters.

SESSION: Non-ferrousTuePM-R1	Barrios International Symposium on Sustainable Non-ferrous Smelting and Hydro/Electrochemical Processing (5th Intl. Symp. on Sustainable Non-ferrous Smelting and Hydro/Electrochemical Processing)
Tue Oct, 24 2017	Room: Condesa II
Session Chairs: Juergen Antrekowitsch; Krishna Parameswaran; Session Monitor: TBA

14:30: [Non-ferrousTuePM05] Plenary
Mining and Sustainable Development: Oxymoron or RX for a Bright Future? An Update
Krishna Parameswaran¹ ; Manuel Ramos² ; ¹tfgMM Strategic Consulting, Scottsdale, United States; ²ASARCO LLC, Tucson, United States;
Paper Id: 105 [Abstract]

This paper is an update of a keynote talk with the same title at the 2011 Fray Symposium in Cancun, Mexico in 2011, at which ASARCO LLC received the Fray International sustainability award for its on-going sustainable development initiatives. It attempts to answer the often-asked question of whether metal mining (defined broadly to incorporate mining, beneficiation, smelting and refining) is compatible with the concept of sustainable development. Starting with the classic Brundtland Commission definition of sustainable development as development that meets the needs of the present without compromising the ability of future generations to meet their own needs, it makes the case that mining can and should be sustainable, using select examples of sustainable mining practices at Asarco. These examples cover the entire mining cycle starting with exploration, operation, closure and post-closure and post mining land use.

15:00: [Non-ferrousTueAM06] Keynote
21st Century Alchemy: Transitioning from Mining to Solar
Manuel Ramos¹ ; Krishna Parameswaran² ; ¹ASARCO LLC, Tucson, United States; ²tfgMM Strategic Consulting, Scottsdale, United States;
Paper Id: 186 [Abstract]

ASARCO LLC (Asarco) and its parent Grupo México, S.A.B. de C.V (Grupo Mexico) are of the view that a renewable energy project can be viable use of un-utilized mine lands and post-mining use of disturbed mined lands that have been reclaimed. This paper examines the drivers that make mining and solar energy development a good fit and, through a case study, discusses Asarco’s experience in hosting the Avalon Solar Project, a 57-megawatt (MW) single-axis tracking solar power photovoltaic (PV) facility situated on approximately 500-acres tract of retired agricultural land, acquired for water rights purposes, in Pima County, Arizona near the Asarco’s Mission Complex. The paper also discusses the reclamation of the San Xavier tailings storage facilities and waste rock deposition area, located within the boundaries of the San Xavier District (District) of the Tohono O’odham Nation where a portion of the Asarco Mission mining operations occur. These and other closed and reclaimed tailings storage facilities and possibly waste rock deposition areas could be suitable for siting future photovoltaic (PV) solar projects.

15:30: [Non-ferrousTueAM07] Plenary
New Ways of Utilizing Secondary Zinc Oxides in Zinc Production
Juergen Antrekowitsch¹ ; ¹Christian Doppler Laboratory for Optimization and Biomass Utilization in Heavy Metal Recycling, Leoben, Austria;
Paper Id: 166 [Abstract]

Huge amounts of low-quality secondary zinc oxides are produced by the recycling of steel mill dust or other zinc-containing residues. Due to different impurities the utilization of secondary zinc concentrates, such as waelz oxide, is currently limited to primary zinc industry, undergoing the whole process chain from roasting to winning electrolysis or alternatively solvent extraction and electrolysis. The paper discusses the background of the necessity of purification steps like roasting or solvent extraction as well as the disadvantages of these procedures. Furthermore, opportunities of how to bypass such steps and by doing this, give more value to the secondary zinc oxides, are described. In this special field, Montanuniversitaet Leoben was able to develop some important procedures whereof one is currently patented. Focus on the investigations was especially on the Zinc-Iron separation and the removal of fluorine-containing compounds. Results of various trials improving the zinc oxide quality are summarized and a discussion of economic aspects is performed within the paper. Also included is an evaluation of the world wide potential and an outlook of possible implementations of developed concepts.

16:00: [Non-ferrousTueAM08]
Furnace and Acid Tower Refractory Lining Integrity Monitoring by Acoustic Techniques
Afshin Sadri¹ ; Wai Lai Ying¹ ; ¹Hatch, Mississauga, Canada;
Paper Id: 203 [Abstract]

Process vessels such as smelting furnaces and acid towers are lined by refractory bricks. Degradation of the refractory lining in smelting furnaces begins since the start of the operation. For acid towers, the failure of castable refractory or the mortar between the refractories can cause high concentration acid leaks. Eventually the lining degradation becomes crucial and requires replacement. Since shutdowns are prohibitively expensive, it is desirable to identify the damaged areas and schedule maintenance shutdowns at the optimal frequency so as to reduce the cost of repair and shutdown periods. For this reason, non-destructive testing (NDT) techniques are developed to determine the lining condition while the vessels are still on-line. In this paper, we discuss the application of discrete Acousto Ultrasonic-Echo (AU-E) measurements and real-time continuous Acoustic Emission (AE) monitoring for the determination of refractory lining integrity in smelting furnaces and acid towers.

SESSION: Non-ferrousWedAM-R1	Barrios International Symposium on Sustainable Non-ferrous Smelting and Hydro/Electrochemical Processing (5th Intl. Symp. on Sustainable Non-ferrous Smelting and Hydro/Electrochemical Processing)
Wed Oct, 25 2017	Room: Condesa II
Session Chairs: Christoph Sagadin; Mateus Lanna Borges de Moraes; Session Monitor: TBA

11:00: [Non-ferrousWedAM01]
Recovery of Rare Earth Elements from Acid Mine Drainage
Elaine Felipe¹ ; Gabriel Silva¹ ; Bruna Vidigal¹ ; Ana Claudia Ladeira¹ ; ¹Centro de Desenvolvimento da Tecnologia Nuclear, Belo Horizonte, Brazil;
Paper Id: 198 [Abstract]

The recovery of rare earth elements (REEs) from acid mine drainage by cationic resins was investigated using batch experiments. The experiments were carried out with laboratory solution and with acid mine water enriched with REEs. The experimental conditions were: pH 1.3, 2.5 and 3.4, temperature 25±1⁰C, and the exchange resins were Dowex 50WX8 and Purolite C160. For the laboratory solution, it was observed that for all the REE, except cerium, the adsorption was > 85%. For the spiked acid water, the best results were obtained at pH 1.3 and the adsorption capacity of the resins for the REEs in mmol.g-1 are: Dowex 50WX8 (La=0.074, Y=0.067, Ce=0.079, Pr=0.077, Nd=0.077, Eu=0.070, Dy=0.070, Sm=0.074); Purolite C160 (La=0.074, Y=0.059, Ce=0.080, Pr=0.077, Nd=0.076, Eu=0.070, Dy=0.066, Sm=0.074). The highest adsorption was obtained for La, around 89% for both resins. The resins also adsorbed other elements from the spiked acid water, such as Mn, Ca, Mg, Zn and Al. The resins adsorbed less than 10 to 12% of these elements, considered as impurities. The total loading capacity of the resins is 0.668 mmol g-1 for Dowex 50WX8 and 0.643 mmol g-1 for Purolite C160. However, the results showed that the resins have similar adsorption capacity for the REE.

11:30: [Non-ferrousWedAM02]
Recovery of Rare Earth Elements by Co-precipitation with Iron, Aluminum and Manganese (Hydr)oxides from Acid Mine Drainage
Mateus Lanna Borges De Moraes¹ ; Ana Flavia Marinho Saraiva² ; Ana Claudia Ladeira² ; ¹Comission Nacional de Energia Nuclear, Belo Horizonte, Brazil; ²Centro de Desenvolvimento da Tecnologia Nuclear, Belo Horizonte, Brazil;
Paper Id: 302 [Abstract]

In the actual global chain of high-tech products, such as smartphones or communication satellites, specific wavelength lasers, catalyzers, etc., rare earth elements (REE) are important raw materials. In 2015, the global estimated production was 124 kt, and China alone produced 105 kt. Although the production and demand for REE are well established, there is a worldwide effort to find new resources and technologies due to the high demand foreseen for these elements in the near future. Acid Mine Drainage (AMD) can be a secondary resource of REE, since it is a natural and continuous leaching process of rocks or waste piles. For example, in The Osamu Utsumi mine (Minas Gerais-Brazil) the AMD waters contain around 130 mg L-1 of total REE - the light ones being the majority. Considering a flow rate of 150 to 300 m3 h-1, it is expected to recover up to 468 to 936 kg of REE per day, what is quite considerable. In AMD waters, iron and manganese (hydr)oxides are ubiquitous minerals and their importance on the retention and transportation of U, REE and other metals is well known. Previous studies showed that some REE can be immobilized by iron (hydr)oxides in acid solutions, with posterior selective extraction. This study aims at concentrating the REE present in AMD waters by co-precipitating it with synthetic Fe, Al and Mn (hydr)oxides. AMD was simulated using a laboratory solution with pH = 2.6, sulfate content of 2 g L-1 and total REE content of ~130 mg L-1. Different amounts of FeCl3, Al2(SO4)3 and MnSO4 0.5 mol L-1 were added to the laboratory solution in order to reach distinct Fe:Al:Mn:REE molar ratios. The pH was adjusted to 6±0.3 using KOH 2 mol L-1. Results showed that for some experimental conditions, the effectiveness of the removal of REE were above than 90 %. It was obtained an amorphous solid phase with ~17% of REE oxides using a molar ratio of 16:0:4:1, with 98% of removal effectiveness. Further studies will focus on the increase of REE content in the solid phase, followed by the leaching of these elements with acid and saline solutions, aiming to obtain a REE concentrate.

12:00: [Non-ferrousWedAM03] Keynote
Computational Thermodynamics Modeling of Oxygen Bottom Blown Copper Smelting Process
Qinmeng Wang¹ ; Xueyi Guo¹ ; ¹Central South University, Changsha, China;
Paper Id: 207 [Abstract]

The oxygen bottom blown copper smelting process is a new technology which has been widely applied to the copper production in China. In this work, a computational thermodynamics model for this technology has been established, based on smelting mechanism and theory of Gibbs free energy minimization. The calculated results from the model agree well with the actual industrial data, indicating that the model can be used for the predictions under different operating conditions. The tendencies of the key parameters (such as Cu losses and Fe3O4 content in slag) and the distribution ratios of the minor elements (such as Pb, Zn, As, Sb and Bi) can be predicted by adjusting the oxygen/ore ratio charged into the bottom blown copper smelting furnace. The model can be used to monitor and optimize the industrial operations of the oxygen bottom blown copper smelting process.

12:30: [Non-ferrousWedAM04]
Determination of the High Temperature Melting Behaviour of Synthetic Ferronickel Slags
Christoph Sagadin¹ ; Stefan Luidold² ; Christoph Wagner³ ; Alfred Spanring⁴ ; ¹Montanuniversitaet Leoben CDL-TM, Leoben, Austria; ²Montanuniversitaet Leoben, Leoben, Austria; ³RHI AG-Nonferrous Metals, Vienna, Austria; ⁴RHI AG, Vienna, Austria;
Paper Id: 52 [Abstract]

The industrial manufacturing of ferronickel in electric furnaces produces large amounts of slag with strong acidic character and high melting points, which seriously stresses the furnace refractory. In this study, measurements by a hot stage microscope served for the determination of melting behaviour of synthetically produced ferronickel slags on magnesia as refractory material. Therefore, 13 different slags comprising the main oxides SiO2 (35 to 70 wt.-%), MgO (15 to 45 wt.-%), Fe2O3 (5 to 35 wt.-%) and Al2O3 (0 to 10 wt.-%) were melted in a graphite crucible and afterwards analysed by a hot stage microscope. The design of experiments, which was created by the statistic software MODDE, included 15 experiments with varying slag compositions as well as atmospheres. The evaluation of the test results occurred at three different characteristic states of the samples like the deformation point according to DIN 51730 and the temperatures, at which the area of residual cross section of the samples amounted to 30 respectively 40 % of the original value in dependence of their SiO2/MgO ratio and iron oxide content. Additionally, the thickness of the zone influenced by the slag was measured and evaluated. The results indicated that the deformation temperature decrease with an increasing content of Al2O3 and SiO2/MgO ratio. Furthermore, a content of 4 respectively 10 wt.-% Al2O3 resulted to the lowest temperature for 40 % residual cross section. In addition, the alumina content showed a changeable influence on the area of influenced zone of the refractory at high and low SiO2/MgO ratios.

SESSION: Non-ferrousThuPM-R1	Barrios International Symposium on Sustainable Non-ferrous Smelting and Hydro/Electrochemical Processing (5th Intl. Symp. on Sustainable Non-ferrous Smelting and Hydro/Electrochemical Processing)
Thu Oct, 26 2017	Room: Condesa II
Session Chairs: Zhi Wang; Shuyang Yan; Session Monitor: TBA

14:30: [Non-ferrousThuPM05]
The Use of Rare Earth Elements as Agricultural Enhancers
Antonio Zamuner Filho¹ ; ¹Federal University of Goiás, Catal�o, Brazil;
Paper Id: 38 [Abstract]

Rare Earth Elements (REE) are substances with physicochemical properties and characteristics of similar occurrence, 15 of them belonging to the series of Lanthanides, which together with Yttrium and Scandium total 17 elements. These, in turn, can be found in carbonates, oxides, silicates and phosphates and, particularly in Brazil, in Monazite and carbonatites. Due to the source material and the production methods used in the mines containing these minerals, it is expected that REE levels will be found in their products and by-products. In this scenario, the generation of tailings is inherent to any process of mineral processing and constitutes materials that do not present economic value, considering aspects of current market supply and demand. In this way, any initiative for its reduction or use can bring benefits, both from a financial and socio-environmental point of view, a challenge for sustainable development. China, the country with the largest REE reserve in the world, has been researching and using, since the 1970�s, fertilizers containing REE in their formulations for the development of plants. In Brazil, although a world-wide exponent of agriculture, there are no reports of such use on a commercial scale, except indirectly via phosphate fertilizers and soil acidity corrective, given that these inputs are capable of presenting REE contents as a function of the raw material source. In this context, the present research aims to carry out a systematic bibliographic review on the subject, seeking to understand the process of using the REE in the development of plants with a focus on the Brazilian potential for its use.

15:00: [Non-ferrousThuAM06]
Study on Temperature Distribution of Copper Smelting Process by Oxygen Bottom Blowing
Shuyang Yan¹ ; ¹Central South University, hunan changsha, China;
Paper Id: 301 [Abstract]

The smelting temperature is an important factor in copper smelting process by oxygen bottom blowing which affects matte grade, smelting slag type, properties of melt and furnace body erosion. It is the key that keeps the smelting process running normally. The production data is collected to calculate heat balance of copper smelting. Utilizing Fluent numerical software and coupling an equivalent solid heat source, the distribution of temperature is studied in the copper smelting process. Meanwhile, the effects of technical parameters, such as gas flow rate, the temperature of oxygen-enriched air, and bath depth on the distribution of temperature are discussed. The results showed that there exist a high-temperature zone in the action area of oxygen lance and the flue outlet. As gas flow rate increases, the smelting temperature decreases. The reason for this is that the smelting flue quantity increases and takes away more heat at a certain heat release rate. The low-temperature zone of oxygen lance opening expands as the temperature of oxygen-enriched air decreases which is in favor of protection of oxygen lance. The smelting temperature decreases as bath depth decreases, and the temperature is gradient distributed. This study simulated the distribution of oxygen bottom blown furnace, and has a certain guidance to the practical production.

15:30: [Non-ferrousThuAM07]
Crystallization Paths for System MgO-SiO2-Al2O3
Vasily Lutsyk¹ ; Anna Zelenaya¹ ; ¹Institute of Physical Materials Science SB RAS, Ulan-Ude, Russian Federation;
Paper Id: 63 [Abstract]

System MgO-SiO2-Al2O3 has a great practical importance, and its phase diagram can used for the description of properties of advanced and building materials as well as for the characterization of geological objects too. Data for invariant processes in the binary and ternary systems (with taking into account the existence and type of binary and ternary compounds) is the base for creation of schema of mono- and invariant equilibria. The system MgO-SiO2-Al2O3 includes four binary compounds and two ternary compounds. It�s characterized by 11 invariant transformations: three eutectics, one peritectic, five quasiperitectic equilibria and two four-phase regroupings of phases with polymorphous modifications of silicon oxide (cristobalite and tridymite). Obtained computer model of phase diagram for system MgO-SiO2-Al2O3 includes liquid immiscibility surface, 10 liquidus surfaces, 78 ruled surfaces, 11 horizontal complexes at the temperatures of invariant points, 21 two-phase regions and 29 three-phase regions. Such full model of phase diagram including all topological elements makes possible to calculate the horizontal and vertical sections and the crystallization paths in any part of phase diagram. The crystallization paths are confirmed by the diagrams of vertical mass balance, which permit to obtain the lists of intersected phase regions and the crystallization stages for given mass center over the entire temperature range. As a result we can identify the list of microconstituents for each concentration field the base of this investigation. Key words: phase diagram, computer model, crystallization paths, system MgO-SiO2-Al2O3. This work was been performed under the program of fundamental research SB RAS (project 0336-2016-0006), it was partially supported by the RFBR (projects 15-43-04304, 17-08-00875) and the RSF (project 17-19-01171).

16:00: [Non-ferrousThuAM08]
Peculiarities of Phase Formation at Metallothermal Interactions in the System Aluminum-zirconium and Silicon Oxides
Sergey Krasikov¹ ; ¹Institute of Metallurgy of Ural Branch of the Russian Academy of Sciences, Ekaterinburg, Russian Federation;
Paper Id: 265 [Abstract]

Due to the rich sources reserves of raw materials depletion and the increase in demand for rare and rare-earth metals in such fields of technology as electronics, electrical engineering, metallurgy, and nuclear power, in recent decades the attention of researchers has been attracted to the problem of processing non-traditional rare metal, in particular eudyalite raw materials. Earlier studies of pyrometallurgical processing of eudialyte concentrates containing up to 55% SiO2 and 9 - 17% ZrO2, have shown promising results in the use of aluminothermic reduction. At the same time, it was revealed that the metallothermal process is complex and requires further study. The purpose of this work was to identify the sequence of intermetallic compounds formation during interactions at the Al-ZrO2-SiO2 system. The use of thermodynamic calculations, methods of differential thermal and X - ray phase analysis made it possible to simulate the interaction process in the Al - ZrO2 - SiO2 system and to establish that the prevailing formation of zirconium aluminides will take place at the initial stage at temperatures above 900°C at the aluminothermic co-reduction of zirconium and silicon.

SESSION: EnergyMonAM-R2	Dodds International Symposium on Sustainable Energy Production (4th Intl. Symp. on Sustainable Energy Production: Fossil; Renewables; Nuclear; Waste handling , processing, and storage for all energy production technologies; Energy conservation)
Mon Oct, 23 2017	Room: Peninsula 3
Session Chairs: Wesley Williams; Martin Mansson; Session Monitor: TBA

11:00: [EnergyMonAM01] Plenary
Electricity Production Choices and Consequences: Part II
Harold Dodds¹ ; ¹University of Tennessee, Knoxville, United States;
Paper Id: 41 [Abstract]

This is an expanded and further elaborated version of the summit plenary presentation of the same title. With the world's population increasing from seven billion currently to approximately nine billion by the year 2040, achieving a healthy lifestyle for all people on earth will depend, in part, on the availability of affordable energy, especially electricity. This presentation considers the various choices, or options, for producing electricity and the consequences associated with each option. The options are fossil, renewables, and nuclear. The consequences associated with these three options are addressed in five different areas: economics, environmental effects, public health and safety, sustainability, and politics. All options are needed, but some options may be better than others when compared in the five areas.

11:30: [EnergyMonAM02] Keynote
Synergistic Opportunities Between Nuclear Energy and the Oil and Gas Industry
Wesley Williams¹ ; ¹Louisiana State University, Baton Rouge, United States;
Paper Id: 124 [Abstract]

There are many potential collaboration areas between the traditionally isolated (or competitive) industries of nuclear energy and petroleum. Examples of overlapping interests and areas that can benefit from existing operational and engineering expertise are many. Deep borehole waste storage of nuclear waste materials has returned to the forefront of research due to the collapse of the Yucca Mountain Project. Deep borehole storage can benefit from knowledge developed in the drilling and completion of oil and gas wells. Likewise there is a potential to use spent fuel as a heat source for an enhanced oil recovery technique for heavy crude reservoirs. Furthermore, there are many potential futuristic concepts for nuclear reactors that could utilize capabilities of both industries to make safer and more sustainable energy production techniques. Offshore floating or jack-up nuclear power stations have been proposed, however, these concepts could be further enhanced by combining the facilities with permanent deep borehole waste storage fields under the seafloor. In a similar fashion, nuclear reactors could be placed and operated in the bottom of the deep wells either onshore or offshore. This would combine the reactor with its final repository. The presentation will discuss some of these creative ideas with the intent of breaking down preconceived notions that block productive collaborations between two of our most important energy sources. It is hoped that interests will be sparked to pursue further collaborative projects and research.

12:00: [EnergyMonAM03] Keynote
Towards Green and Safe Sodium Batteries
Martin Mansson¹ ; Ola Kenji Forslund¹ ; ¹KTH Royal Institute of Technology, Kista Stockholm, Sweden;
Paper Id: 257 [Abstract]

While Li-ion batteries are considered the main candidate for mobile energy storage applications, compounds based on lithium's heavier cousin, sodium (Na) have recently started to receive a lot of attention. One reason is that our Li-reserves are limited and to realize future electric vehicles we might have to reconsider the Li-ion technology. Na has indeed many advantages over Li e.g. Na is one of the most abundant elements in nature (earth's crust as well as in normal seawater of our great oceans), which makes it about 5 times cheaper than Li. Further, Na-ion batteries can also be much less toxic and easier to recycle. In many ways the NaxCoO2 compound is a Na-analog of the most common Li-ion battery electrode material LixCoO2. Hence, understanding Na-ion diffusion mechanisms in NaxCoO2 would seem a logical first step. In this talk I will show that neutron scattering is a crucial technique for the understanding of these materials. I will also summarize our recent results that reveal how the ion-diffusion process is intrinsically linked to a series of subtle structural transitions along with novel and functional possibilities for tuning battery performance using lattice-strains.

12:30: [EnergyMonAM04]
Eco-Industrial Zones in the Context of Sustainability Development of Urban Areas
Sonja Stefanov¹ ; ¹University of Novi Sad, Novi Sad, Serbia and Montenegro (formerly Yugoslavia);
Paper Id: 202 [Abstract]

The industry is one of the main activities in the city and in many cities of the world and the dominant Industrial zones are the most significant morphological form of concentration of industrial facilities in the city and are concentrated industrial and business activity. Industrial parks combine activities related to energy and resource consumption, emissions, waste generation, economic benefits and regional development. The focus of this work is the path of transformation between the present and the vision of a sustainable city in the future. It examines the possibilities for?" ," Who should take action?" , " When you can change happen? " And " how much will influence these changes? The problem and the subject of research related to two related objects of research: the city and sustainable development. In this paper, the co-author's industrial symbiosis parks, modern tendencies of the spatial distribution of productive activities, circular economy, to attract leading corporations and open the way for new ventures while preserving the living environment in an urban area.

SESSION: EnergyMonPM-R2	Dodds International Symposium on Sustainable Energy Production (4th Intl. Symp. on Sustainable Energy Production: Fossil; Renewables; Nuclear; Waste handling , processing, and storage for all energy production technologies; Energy conservation)
Mon Oct, 23 2017	Room: Peninsula 3
Session Chairs: Wes Hines; Session Monitor: TBA

14:30: [EnergyMonPM05] Keynote
An Integrated Information Architecture for Lifecycle Prognostics and Reliability Improvement
Wes Hines¹ ; Zach Welz¹ ; ¹University of Tennessee, Knoxville, United States;
Paper Id: 56 [Abstract]

Energy system on-line-monitoring is becoming a crucial component of improving safety, reliability, and profitability. The Holy Grail is the development prognostic methodologies to accurately predict the Remaining Useful Life (RUL) of a system or component for predictive maintenance and effective risk mitigation. Calculating precise RUL estimates requires both system specific maintenance information and performance data to develop representative lifecycle models. Current conventional prognostic methods focus on process data and do not utilize maintenance data to directly influence the modeling and data analysis. However, equipment maintenance impacts future system degradation and is dependent on the maintenance actions taken. Differences in the amount of degradation removed from a system are common for repaired equipment compared to replacements. This talk discusses methods of incorporating maintenance information into Lifecycle Prognostics and the effect it has on prediction error and uncertainty compared to maintenance independent models. <br />Conventional Lifecycle Prognostics is a term used when the RUL is seamlessly predicted from beginning of component life (BOL) to end of component life (EOL). When a component is put into use, the only information available may be past failure times, and the predicted failure distribution can be estimated with reliability methods such as Weibull Analysis (Type I). As the component operates, it begins to consume its available life. This life consumption may be a function of system stresses, and the failure distribution should be updated (Type II). When degradation becomes apparent, this information can be used to again improve the failure distribution estimate (Type III) of the specific component. <br />The results of integrating past maintenance information into conventional lifecycle prognostics indicate that maintenance specific models produce significantly lower prediction error and model uncertainty. This serves as a proof of concept for investigation into more effective ways to utilize maintenance data in prognostic modeling, while also emphasizing the importance of digital maintenance records in industry.

15:00: [EnergyMonAM06] Keynote
Reactor Safety for Lead or Lead-Bismuth (LBE) Cooled Reactors-Fuel-Coolant Interactions
Teodora Retegan¹ ; ¹Chalmers University of Technology, Gothenburg, Sweden;
Paper Id: 86 [Abstract]

The most widely used reactor type in the world is the light-water reactor (LWR) where two types are more common: PWR and BWR (pressure and boiling water reactors), along with Canada Deuterium Uranium reactor CANDU, gas-cooled reactors (AGR & Magnox), light water graphite reactor (RBMK & EGP), fast nuclear reactor (FBR) � Russia. At European level a collaborative effort supported by the European commission and leading European research institutes and industries was started to bring advanced fuel cycles and the P&T strategy together in order to investigate its economic and technical feasibility. The exploratory research done in the field and the launch of the Sustainable Nuclear Energy Technology Platform (SNE-TP) in 2007 lead to a joined effort from the European nuclear fission research community to issue a Strategic Research Agenda (SRA) that describes the roadmap towards sustainable nuclear fission energy. Here, the SNE-TP community identifies the sodium fast reactor technology as the reference but also highlights the need for the development of an alternative track with lead or gas cooling. In addition, the need for R&D activities in support of accelerator driven systems (ADS) was stressed to allow the demonstration of ADS technology by the construction of the first ADS Demo facility (MYRRHA). With regard to alternative fast reactor technologies as described in the SRA, lead cooled fast reactor (LFR) systems are very promising in meeting the Gen IV requirements in terms of sustainability, economics, safety and reliability and proliferation resistance & physical protection. This assessment is based on inherent properties of the reactor coolant and on design choices made. Reactor safety with regard to fuel-coolant interactions is an important step in the feasibility and safety assessment of such technologies. Theoretical and empirical approach will be further presented both for lead and lead-bismuth interaction with the nuclear fuel, in this case with UO2 and MOX fuel.

15:30: [EnergyMonAM07]
A New Paradigm for Environmental Safety Management of Chemical Industry in Korea : Offsite Risk Assessment
Kyoshik Park¹ ; ¹Myongji Univ., Yongin-si, Korea (Republic of [South] Korea);
Paper Id: 182 [Abstract]

Korea experienced a massive chemical dispersion disaster on September 27, 2012, which occurred at the Gumi National Industrial complex in the southern city of Korea. About 8 tons of hydrogen fluoride gas leaked as the valve of tank lorry was opened due to an operator��s mistake, resulting in 5 casualties and about 3,600 medical treatment, causing 17.7 billion KRW of damage to enterprises, and spoiling the crops on 323.8ha of land. The accident had triggered new chemical management policy in Korea; The Revised Chemicals Control Act introduced Korea Risk Management Plan (K-RMP) and Off-site Risk Assessment (ORA) to improve safety management system for habitat and environment. Any company which manufactures, uses, or stores hazardous chemicals should submit ORA report to a governmental agency, while K-RMP only applies to the Precautionary Chemicals of Accidents (PCAs). The purpose of the ORA is to estimate the risk level of each chemical facility effect to habitat and environment. It implies gathering and analyzing information related to facility, toxicity, population, and preliminary hazard assessment is an essential process. Consequence analysis and likelihood estimation results are also needed to assess the risk. K-RMP is similar to that of the U.S., while K-RMP reinforces the emergency response planning.

16:00: [EnergyMonAM08]
Thermodynamic Stability of Irreversible Processes: A Gibbs-Duhem Type Theory and the Fourth Law of Thermodynamics
Anil A. Bhalekar¹ ; Bjarne Andresen² ; ¹RTM Nagpur University, Nagpur, India; ²University of Copenhagen, COPENHAGEN, Denmark;
Paper Id: 144 [Abstract]

The Gibbs-Duhem theory of stability of equilibrium states has been extended to determine the stability of irreversible processes. The basic concept of virtual displacement in the reverse direction on the real trajectory, which is involved in the celebrated Gibbs-Duhem theory, has been used. This establishes that all thermodynamically describable processes are thermodynamically stable. This outcome led us to reformulate the fourth law of thermodynamics. Moreover, our present investigations illustrate the basis of the universal inaccessibility principle formulated earlier by one of the present authors (AAB).

SESSION: EnergyTueAM-R2	Dodds International Symposium on Sustainable Energy Production (4th Intl. Symp. on Sustainable Energy Production: Fossil; Renewables; Nuclear; Waste handling , processing, and storage for all energy production technologies; Energy conservation)
Tue Oct, 24 2017	Room: Peninsula 3
Session Chairs: Manfred Mauntz; Tamer Turna; Session Monitor: TBA

11:00: [EnergyTueAM01] Plenary
Evaluation of Subvention Schemes for Lignite Electricity Plants in the Aftermath of the Paris Agreement - 2015 - Part II
Tamer Turna¹ ; ¹YILDIRIM ENERGY INVESTMENTS INC, Maslak, Turkey;
Paper Id: 352 [Abstract]

This paper is an extension of the summit plenary presentation of the same title, and will provide a detailed evaluation of sustainability of the Lignite subvention policies, from an economic and environmental perspective. Other possibilities to solve the economic and social burden of the Lignite mining sector and related power plants will be explored in the framework of Turkey's controversial energy policies following COP 21 outcomes.

11:30: [EnergyTueAM02] Keynote
Condition Based Maintenance of Wind Turbines by 24/7 Monitoring of Oil Quality and Additive Consumption: Identification of Critical Operation Conditions and Determination of the Next Oil Change
Manfred Mauntz¹ ; Jorn Peuser¹ ; ¹cmc Instruments GmbH, Eschborn, Germany (Deutschland);
Paper Id: 81 [Abstract]

The demand for wind energy grows at exponential rates. At the same time, improving reliability and reduced operation and maintenance costs are the key priorities in wind turbine maintenance strategies. This paper provides information about a novel online oil condition monitoring system to recommend a solution to the mentioned priorities. The presented sensor system enables damage prevention of the wind turbine gear-box by an advanced warning time of critical operation conditions, and an enhanced oil exchange interval realized by a precise measurement of the electrical conductivity, the relative permittivity and the oil temperature. A new parameter, the WearSens® Index (WSi) is introduced. The mathematical model of the WSi combines all measured values and its gradients in one single parameter for a comprehensive monitoring to prevent wind turbines from damage. Furthermore, the WSi enables a long-term prognosis on the next oil change by 24/7 server data logging. Corrective procedures and/or maintenance can be carried out before actual damage occurs. First WSi results of an onshore wind turbine installation compared to traditional vibration monitoring are shown.

12:00: [EnergyTueAM03]
Thermodynamic Stability of Industrial Chemical Processes using Lyapunov Function Analysis
Vijay Tangde¹ ; Anil A. Bhalekar¹ ; ¹RTM Nagpur University, Nagpur, India;
Paper Id: 263 [Abstract]

The role of thermodynamics in protably running an industrial process is well known. Among several issues, some of the basic ones are the thermodynamics of the process under consideration and, economical and sustainable energy management. Thus while attending to these aspects a crucial issue is that of maintaining the stability of irreversible processes. There are several ways to handle this aspect and the basic of all of them is the one based on thermodynamics. For this purpose, one of us (AAB) has already developed a Comprehensive Thermodynamic Theory of Stability of Irreversible Processes (CTTSIP). Within the framework of CTTSIP, we have investigated the thermodynamic stability of some industrial chemical processes. In this presentation, applications of CTTSIP to industrial chemical processes have been presented. The CTTSIP is based on the Lyapunov's second method of stability of motion which involves dening the thermodynamic Lyapunov function (Ls), constructed using entropy production rates on real and perturbed trajectories. In the method adopted, the entropy production rate (Ls) and thermodynamic Lyapunov function (Ls) are expanded in Taylor series in terms of perturbation coordinates. Herein, the thermodynamic stability of industrial chemical processes, namely, sulfur trioxide synthesis (Contact Process) and ammonia synthesis (Haber Process) have been studied against the perturbation in temperature of the reaction bed. The behavior of the computed time rate change of Lyapunov function provides the desired information about the stability. Study reveal the regions of stability, asymptotic thermodynamic stability, stability under constantly acting small disturbances and instability. The computations were carried out using the software Mathematica 11.1" from Wolfram Research, USA.

12:30: [EnergyTueAM04]
Comparison of Supercritical Water Oxidation and Supercritical Water Gasification
William Jacoby¹ ; ¹University of Missouri, Columbia, United States;
Paper Id: 136 [Abstract]

This presentation: (1) reports on current investigation of SCWG of fecal sludge to produce fuel gas in a plug flow reactor; (2) reports on current investigation of SCWO of fecal sludge to produce heat in a plug flow reactor; (3) compares and contrasts technologies, focusing on mass balances, energy balances, feasibility, and reliability; (4) reports on current operation of pilot-scale SCWO unit, sited at Duke University, for neighborhood-scale treatment of fecal sludge in the third world. The research discussed is funded by the "Re-invent the Toilet Program" sponsored by the Bill and Melinda Gates Foundation. The goals of this program will also be discussed.

SESSION: EnergyTuePM-R2	Dodds International Symposium on Sustainable Energy Production (4th Intl. Symp. on Sustainable Energy Production: Fossil; Renewables; Nuclear; Waste handling , processing, and storage for all energy production technologies; Energy conservation)
Tue Oct, 24 2017	Room: Peninsula 3
Session Chairs: Anil A. Bhalekar; Pearl Mamanti Sealiete; Session Monitor: TBA

14:30: [EnergyTuePM05] Plenary
Thermodynamic Stability of Irreversible Processes Based on Lyapunov Function Analysis
Anil A. Bhalekar¹ ; Vijay Tangde¹ ; ¹RTM Nagpur University, Nagpur, India;
Paper Id: 145 [Abstract]

In the preceding paper [1] we have formulated a theory of thermodynamic stability which is an extension to irreversible processes of the Gibbs-Duhem theory of the stability of equilibrium states. This theory involves the concept of virtual displacement in the reverse direction on the real trajectory. In this paper the comprehensive thermodynamic theory of stability of irreversible processes (CTTSIP) has been presented that is based on the celebrated Lyapunov's second method of stability of motion in which we have defined the thermodynamic Lyapunov function using the rate of entropy production both on the perturbed and unperturbed trajectories. From the sign definiteness of the thermodynamic Lyapunov function and the behaviour of its time rate of change it gets established that all thermodynamically describable irreversible processes are thermodynamically stable and out of them the processes under the condition of constancy of U,V; H,p; T,V; T,p; etc. get established as of thermodynamically asymptotic stability and are expected to be of exponentially asymptotic stability too.

15:00: [EnergyTueAM06]
Minimizing Gas Flaring and Enhancing Condensate Recovery from Gas Condensate Reservoirs through Gas Injection
Pearl Mamanti Sealiete¹ ; ¹University of the Witwatersrand (WITS), Johannesburg, South Africa (zuid Afrika);
Paper Id: 304 [Abstract]

In this paper, gas injection will be studied in a gas condensate reservoir to increase the recovery factor, and moreover the capability of different injection gases (CO2, N2, CH4 and separator gas) will be compared through different injection schemes. The injection schemes that will be considered are: different injection rates, different injection pressures and different injection durations. We think that the response of the reservoir in different cases will be different but that injection of all of them can increase the condensate recovery. As many parameters can affect the decision of selecting the injection scheme, other than the gas and condensate recovery factor, doing an economical evaluation is inevitable to take them all into account and determine the best one. In this paper, the efficiency of different schemes of gas injection and gas recycling in condensate recovery from a gas condensate reservoir, through compositional simulation has been studied and compared. The effect of changing injection rate, injection pressure and injection duration have been investigated by three injection gases (N2, CO2, CH4) and gas recycling. The appropriate and optimum case can be selected considering the results of the simulation work and doing an economical evaluation, taking into account all the parameters such as: the price of the gas and condensate, the price of the injection gases and the cost of the facilities needed in each scheme with regard to the present level.

15:30: [EnergyTueAM07]
The Effect of Alpha-Irradiation from Enriched Uranium on the Leaching Properties of PTFE
Jacoba Badenhorst¹ ; Henning Krieg² ; ¹Necsa, Pretoria, South Africa (zuid Afrika); ²North West University, Potchefstroom, South Africa (zuid Afrika);
Paper Id: 240 [Abstract]

In the uranium enrichment plants of the South African Nuclear Energy Corporation SOC Ltd (Necsa), sintered polytetrafluoroethylene (PTFE) filters were used to remove gas entrained solid particles, in order to prevent blocking of the isotope separating elements. When these plants were decommissioned and dismantled, the filters which mostly contained solid uranium fluoride and uranium oxyfluoride compounds and compressor ring dust, were broken into pieces, put into metal drums, and stored. This waste contains enriched uranium and can�t be disposed of at the current disposal site (Vaalputs), which only accepts low and intermediate level waste. Initial attempts, directly after removal from the enrichment plants, to decontaminate these filters using various aqueous solutions, were unsuccessful probably because of the known non-wettability of PTFE surfaces. However, recent attempts to leach the absorbed enriched uranium were successful. This resulted in a study to determine the effect of mainly �-irradiation from the enriched uranium on the morphology of PTFE. A Monte Carlo N-Particle transport code (MCNP), a general purpose radiation transport code modelling the interaction of radiation with materials that simulate nuclear processes, was used to determine the rate of PTFE radiolysis. The results confirmed that the dose rate received from mainly the �-particles (97 %) during the storage period had caused significant structural damage to the PTFE depending on the enrichment grade and the amount of uranium on the filters. To confirm the modelling data, analytical techniques, including micro X-ray tomography, thermogravimetric analysis and X-ray diffraction were used to study the morphology changes in the PTFE structure of the research samples. Experimental results indicated that the crystallinity increased while the molecular weight of the PTFE decreased. This could be attributed to the radiation induced degradation of the PTFE by the absorbed enriched uranium.

16:00: [EnergyTueAM08]
Analysis of Sustainable Electricity Generation System Inside a Directional Wellbore from Low-Enthalpy Geopressured Geothermal Brine Reservoir
Mayank Tyagi¹ ; Ildar Akhmadullin² ; ¹Louisiana State University, Baton Rouge, United States; ²Baton Rouge Community College, Baton Rouge, United States;
Paper Id: 48 [Abstract]

Economically viable geothermal resources can be a sustainable and green source for energy production if proven to be able to compete in terms of the levelized cost of electricity (LCOE) generation from the fossil fuel or coal-fired power plants. Utilization of such geothermal resources is usually limited and at times restricted due to perceived economical risks and limits posed on the engineering design by the reservoir temperature and depth. Thus far, low-enthalpy geothermal reservoirs (typical reservoir temperature less than 350F) are not deemed commercially attractive due to many factors that impact the return on investment for such projects. Among these factors are the depth and relatively low-enthalpy (or reservoir temperature) of the resource that increases the cost of drilling deeper wells as well as reduced overall energy recovery since it does not allow direct steam utilization from the production wells. This study investigates an innovative single directional wellbore design working on Zero Mass Withdrawal (ZMW) concept for heat recovery and electricity generation. The simplified system analysis model solves for the overall process of reservoir thermal energy into electricity conversion rate based on the mass, momentum, and energy conservation laws. Dimensionless analysis shows the interplay among different subsystems at varying length and time scales: transport processes between wellbore and hot aquifer, binary power generation cycle, and heat rejection between the power generation system and the environment. Results are presented with a detailed engineering design for a single wellbore geothermal energy to electricity conversion system with discussions on how to reduce the LCOE for such systems in a systematic manner.

SESSION: EnergyWedAM-R2	Dodds International Symposium on Sustainable Energy Production (4th Intl. Symp. on Sustainable Energy Production: Fossil; Renewables; Nuclear; Waste handling , processing, and storage for all energy production technologies; Energy conservation)
Wed Oct, 25 2017	Room: Peninsula 3
Session Chairs: Sonja Stefanov; William Jacoby; Session Monitor: TBA

11:00: [EnergyWedAM01]
Models for Assessing the Creation of Landfill Pollutants (LFG)
Sonja Stefanov¹ ; ¹University of Novi Sad, Novi Sad, Serbia and Montenegro (formerly Yugoslavia);
Paper Id: 158 [Abstract]

The paper will be presented the most commonly used mathematical models for calculation of CH4 emissions. Landfill gas (LFG) is produced by microbial decomposition of waste and takes place in several stages. LFG is composed of CH4, CO2, and non-methane organic compounds that often contain dangerous and volatile organic substances. Assessment of creation and LFG emissions is important with respect to the significant contribution to emissions of greenhouse gasses, as well as for the design of the system for collecting landfill gas, determine the number of wells, pipe size, type and power of the gas compressor, etc. Also, according to the Protocol on the European register of pollutant release and transfer of substances (Protocol on pollutant release and transfer register) fall into landfill facilities that can monitor the discharge of pollutants. Assessment of the creation of LFG can be made by using mathematical models and methods for direct measurements.

11:30: [EnergyWedAM02]
Measuring Quantities of Flared Gas in Middle East
Irene Mabafokeng Masitha¹ ; ¹University of the Witwatersrand (WITS), Johannesburg, South Africa (zuid Afrika);
Paper Id: 305 [Abstract]

One of the challenges involved in addressing environmental aspects of flaring and venting is identifying how much gas is being released. All oilfields contain associated gas. Much like the same way that bubbles appear when the cap is removed from a bottle of carbonated drink, the associated gas is released when oil is brought up from the deep rock strata in which it is found. The proportion of associated gas to oil (the so-called GOR or Gas Oil Ratio) can vary significantly between oilfields. Moreover, in some oilfields, the GOR increases as more and more oil is produced, while in others it can reduce with time. Consequently, the amount of gas which must be dealt with can vary dramatically from year to year between oilfields and even within a specific oilfield. Some or all of this associated gas may have to be flared or vented. Oil and gas production systems can be complex. The gas eventually reaching the flare or vent can come by means of a gathering system from a variety of sources - pressure relief systems, maintenance related depressurizing systems, etc. Many of these systems supply gas to the gathering system, often only sporadically. A major difficulty in managing flaring and venting is identifying exactly how much gas is coming from the various sources that are contributing to the overall volume flared and vented. There is debate within the industry regarding the extent to which it is possible to measure gas flow rates accurately under such varied conditions with the measuring devices presently available on the market.

12:00: [EnergyWedAM03]
High-Pressure, Density-Driven Separation of Carbon Dioxide from Flue Gas
William Jacoby¹ ; ¹University of Missouri, Columbia, United States;
Paper Id: 137 [Abstract]

High-Pressure, Density-driven Separation (HDS) technology was invented and reduced to practice at the University of Missouri. Research, development and commercialization activities continue at Mizzou in conjunction with Liquid Carbonic LLC. HDS technology has the potential to be a powerful weapon against climate change. Based on experimentation, thermodynamic analyses, and modeling, our estimated operating cost is about $15 per metric ton of CO2 removed, which is less than one-third current state-of-the-art technologies. We have defined a volumetric efficiency metric that, at the time of abstract submittal, had increased nearly 300-fold relative to our original (published) experiments. The HDS itself has no moving parts and, for a given separation rate, its dimension continues to shrink as we optimize performance. Therefore, capital costs will also be low. We will also report on applications of HDS technology for upgrading fuel gasses containing CO2, as well as for H2 separations, all without membranes.

12:30: [EnergyWedAM04] Keynote
Investigation of Carbonated Water Injection in an Oil Reservoir to Enhance Oil Recovery
Abdollah Esmaeili¹ ; ¹National Iranian South Oil Company (NISOC) - National Iranian Oil Company (NIOC), Omiodieh, Iran (Islamic Republic of Iran);
Paper Id: 13 [Abstract]

In this paper, according to actual condition of an oil field, a new enhanced oil recovery method called carbonated water injection (CWI) was designed and tested for this oil field. In carbonated water, CO2 exists as a dissolved phase as opposed to a free phase, eliminating the problems of gravity segregation and poor sweep efficiency, which are characteristics of a typical CO2 injection project. In fact, both viscosity and density of water increase as a result of the dissolution of CO2 in water. Recovery efficiency of this EOR method was tested experimentally using several cores of this sandstone reservoir. Reservoir rock and fluid properties changing during this process were investigated. For this purpose, a set of experimental tests based on core flooding tests on sandstones were designed. The results show that carbonated water injection (CWI), compared to conventional water injection, improves oil recovery in both secondary (pre-water flood) and tertiary (post-water flood) injection modes.

SESSION: EnergyWedPM-R2	Dodds International Symposium on Sustainable Energy Production (4th Intl. Symp. on Sustainable Energy Production: Fossil; Renewables; Nuclear; Waste handling , processing, and storage for all energy production technologies; Energy conservation)
Wed Oct, 25 2017	Room: Peninsula 3
Session Chairs: Abdollah Esmaeili; Session Monitor: TBA

14:30: [EnergyWedPM05]
Increasing Efficiency of Gas Injection into Gas Cap of a Sandstone Oil Reservoir to Improve Oil Recovery
Abdollah Esmaeili¹ ; ¹National Iranian South Oil Company (NISOC) - National Iranian Oil Company (NIOC), Omiodieh, Iran (Islamic Republic of Iran);
Paper Id: 14 [Abstract]

In this paper, according to actual condition of this oil field, we will investigate about gas injection to find an optimized gas injection process for this oil field. Recovery efficiency of this EOR method will be tested experimentally using several cores of this sandstone reservoir. Reservoir rock and fluid properties changing during this process will be investigated. For this purpose, a set of experimental tests based on core flooding tests on sandstones will be designed. Totally, this research will be done in two sections. In phase 1, called problem statement, we will try to get enough data and information about this field to know the problems in this field related to this research topic. In phase 2, called finding solution methods, solution methods for solving these problems will be investigated.

15:00: [EnergyWedAM06]
Experimental Investigation of Different Immiscible Water Alternating Gas (IWAG) Schemes towards Optimization of Displacement Efficiency
Abdollah Esmaeili¹ ; Mohammad Abdalla Ayoub² ; ¹National Iranian South Oil Company (NISOC) - National Iranian Oil Company (NIOC), Omiodieh, Iran (Islamic Republic of Iran); ²Universiti Teknologi PETRONAS (UTP), Malaysia, Malaysia;
Paper Id: 15 [Abstract]

The world continues to rely heavily on hydrocarbon resources for energy. While the demand for these resources is steadily rising, the discovery of new reserves is becoming more challenging. Therefore new ways of enhancing recovery from matured and producing reservoirs must be found in order to recover more oil from these reservoirs. Recently, there has been greater interest in enhanced oil recovery techniques that can improve overall recovery by increasing both the displacement efficiency and the sweep efficiency. This study seeks to investigate, at laboratory conditions, the improvement in ultimate oil recovery when immiscible water alternating gas (IWAG) injection is use as an enhanced recovery method. Synthetic brine simulating formation water from offshore Malaysia will be prepared and three WAG injection tests each proceeded by either water or gas injection will be carried out on three sandstone core plugs in the laboratory. The expected results from this project will show the amount of additional recovery of original oil in place (OOIP) using IWAG injection after secondary water or gas injection.

15:30: [EnergyWedAM07]
Polymer Gel Design, Production And Injection Into Oil Producing Interval Of A Sandstone Reservoir To Prevent Excess Water Production
Abdollah Esmaeili¹ ; ¹National Iranian South Oil Company (NISOC) - National Iranian Oil Company (NIOC), Omiodieh, Iran (Islamic Republic of Iran);
Paper Id: 16 [Abstract]

In this research, according to actual condition of this oil field, a suitable polymer will be designed and built, then, its optimum composition with least amount of additives, best thermal resistance property, resistant to salt and acid and long life time will be determined using rheological tests as a standard method to specify polymer gel properties. Finally, performance of this optimized polymer gel will tested experimentally using several cores of this sandstone reservoir. Rheological properties of polymer gel and its relationship to reservoir rock permeability will be investigated. For this purpose, a set of experimental tests based on rheological, swelling and core flooding tests on sandstones will be designed. So, by deriving mathematical relationships, effect of concentration and type of polymer and ratio of networking factor concentration to polymer on total visco-elastic properties and three dimensional network parameters of polymer gel will be stated.

16:00: [EnergyWedAM08]
Proposing New Technological Solutions for Produced Water Management in an Oil Field
Abdollah Esmaeili¹ ; ¹National Iranian South Oil Company (NISOC) - National Iranian Oil Company (NIOC), Omiodieh, Iran (Islamic Republic of Iran);
Paper Id: 17 [Abstract]

In this research, according to actual condition of this oil field, technical produced water management methods will be designed and tested for this oil field. These methods will be tested experimentally using several cores of this sandstone reservoir. Reservoir rock and fluid properties changing during this process will be investigated. For this purpose, a set of experimental tests based on produced water tests on sandstones will be designed. Totally, this research will be done in two sections. In phase 1, called problem statement, we will try to get enough data and information about this field to know the problems in this field related to this research topic. In phase 2, called finding solution methods, solution methods for solving these problems will be investigated.

SESSION: EnergyThuAM-R2	Dodds International Symposium on Sustainable Energy Production (4th Intl. Symp. on Sustainable Energy Production: Fossil; Renewables; Nuclear; Waste handling , processing, and storage for all energy production technologies; Energy conservation)
Thu Oct, 26 2017	Room: Peninsula 3
Session Chairs: Abdollah Esmaeili; Session Monitor: TBA

11:00: [EnergyThuAM01]
Scale up Heterogeneity and Recovery Performance from Core to Field Scale for an Oil Sandstone Reservoir
Abdollah Esmaeili¹ ; ¹National Iranian South Oil Company (NISOC) - National Iranian Oil Company (NIOC), Omiodieh, Iran (Islamic Republic of Iran);
Paper Id: 18 [Abstract]

In this research, according to actual condition of this oil field, we will study this reservoir behavior and try to find a relationship between reservoir properties in scales with other scales. Heterogeneity and Recovery efficiency will be tested experimentally using several cores of this sandstone reservoir. Reservoir rock and fluid properties changing during this process will be investigated. For this purpose, a set of experimental tests based on core flooding tests on sandstone's will be designed. Totally, this research will be done in two sections. In phase 1, called problem statement, we will try to get enough data and information about this field to know the problems in this field related to this research topic. In phase 2, called finding solution methods, solution methods for solving these problems will be investigated.

SESSION: MoltenMonAM-R3	Gaune-Escard International Symposium on Sustainable Molten Salt and Ionic Liquid Processing (5th Intl. Symp. on Sustainable Molten Salt and Ionic Liquid Processing)
Mon Oct, 23 2017	Room: Peninsula 1
Session Chairs: Tamas Oncsik; Session Monitor: TBA

11:00: [MoltenMonAM01]
The Impact of Melting and Rapid Cooling of Smelting Slag on Some of its Properties
Srdjana Magdalinovic¹ ; Zoran Markovic² ; Florian Kongoli³ ; ¹Institute for Mining and Metallurgy Bor, Bor, Serbia and Montenegro (formerly Yugoslavia); ²Univ. of Belgrade - Technical faculty Bor, Serbia, Bor, Serbia and Montenegro (formerly Yugoslavia); ³Flogen Technologies Inc., Mont-Royal, Canada;
Paper Id: 181 [Abstract]

The technogenic copper deposit 'Depo slag l " is located in the industrial smelter and refining copper company RTB Bor. Mineable reserves amounted to 9,190,940 t of slag with an average copper content of 0.715%. A sample of this �Depo I� is melted in the furnace and then in the course of discharging in a thin stream a jet of water cooled wherefrom the small - granular pieces. The characteristics of raw and remelted slag were compared. The paper presents: chemical analysis, SEM - EDS analysis, Bond's work index in the mill with balls and bars, kinetics experiments of grinding and flotation of copper bearing particles, depending on the fineness in the range of 60 - 95% -0,075 mm.

11:30: [MoltenMonAM02]
Selective Extraction of Cu(II) by using a New Aqueous Biphasic Systems Based on Task Specific Ionic Liquids with Salicylate Anion
Tatjana Trtic Petrovic¹ ; Slobodan Gadzuric² ; Milan Vranes² ; Aleksandra Dimitrijevic³ ; Jelena Djordjevic¹ ; Nikola Zdolsek³ ; Aleksandar Tot⁴ ; ¹Vinca Institute of Nuclear Sciences, Belgrade, Serbia and Montenegro (formerly Yugoslavia); ²Faculty of Sciences, University of Novi Sad, Novi Sad, Serbia and Montenegro (formerly Yugoslavia); ³Vin&#269;a Institute of Nuclear Sciences,University of Belgrade, Belgrade, Serbia and Montenegro (formerly Yugoslavia); ⁴Faculty of Sciences, University of Novi Sad, Department of Chemistry, Biochemistry and Environmental Protection, Novi Sad, Serbia and Montenegro (formerly Yugoslavia);
Paper Id: 175 [Abstract]

Ionic liquids (ILs) represent a new group of highly potential solvents due to their remarkable features such as negligible vapor pressure at room temperature, high thermal stability, variable viscosity and tunable physicochemical properties by selecting the cation and anion combination. The water immiscible imidazolium based IL was the first applied for the biphasic metal extraction and still remains the most frequently employed system for this task. In this work task, specific water miscible ionic liquids (ILs) were synthetizes and applied for extraction of the selected heavy metals (Cu, Ni, Zn, Pb and Cd). Four ILs have been synthetized and characterized: 1-butyl-3-methyl salicylate ([bmmim][Sal]), 1-(3-hydroxypropyl)-3-methylimidazolium salicylate ([HO(CH2)3mim][Sal]), 1-(3-hydroxypropyl)-3-methylimidazolium chloride ([HO(CH2)3mim][Cl]) and 1-(4-hydroxy-2-oxybutyl)-3-methylimidazolium salicylate ([HO(CH2)2O(CH2)2mim][Sal]). The phase behavior of the ternary systems (IL+K3PO4+H2O) was studied, and conditions for metal extraction were optimized. The partition coefficients of the targeted heavy metals in the investigated aqueous biphasic systems, defined as the ratio of the concentration of the metal ion in the IL-rich and in the salt-rich aqueous phases, were determined. It was found that [bmmim][Sal] selectively extracted Cu(II). The ABS based on [bmmim][Sal] were applied for selective extraction of Cu(II) from waste water from copper mine Bor.

12:00: [MoltenMonAM03]
The Thermal Decomposition of Sodium Carbonate and Calcium Carbonate in Molten Sodium Chloride and the Molten Salt Synthesis of Sodium Silicate and Calcium Silicate.
Rashed Sheikh¹ ; ¹University College London, London, United Kingdom (Great Britain);
Paper Id: 189 [Abstract]

It is well-known that the global average surface temperature of the earth has risen by ~0.8�C during the 20th century. This can be attributed to an increase in quantities of greenhouse gasses (GHG's) in the atmosphere, arising from anthropogenic sources and changing land use. This temperature rise has been linked to major catastrophes, such as hurricanes, heat waves, floods, droughts, evaporation of lakes, rising sea levels and melting of ice glaciers. One of the main contributors to GHG emissions is energy-intensive industries (EIIs), such as the cement process. This process emits between 0.65-0.92 kg tonne-1 of carbon dioxide (CO2) of cement and accounts for 5% of global CO2 emissions annually. This is mainly due to the high temperatures required to achieve its process conditions (~1500�C), emitting CO2 directly (from limestone decomposition) or indirectly (through electricity usage). One method of reducing such emissions could be molten salt synthesis (MSS), which involves dissolving reactants in a molten salt and reacting in solution. MSS has proven to be an alternative route to many compounds; therefore in our project, we investigated the synthesis of the cementitious compounds; calcium metasilicate (Ca2SiO4) and sodium metasilicate (Na2SiO3) in sodium chloride (NaCl). Our results suggested a-Ca2SiO4 and a-Na2SiO3 could be produced at 830�C, however other compounds such as Ca3SiO5 required higher temperatures (>1100�C). The dissolution of the reactants; silicon dioxide (SiO2), calcium carbonate (CaCO3) and sodium carbonate (Na2CO3) in molten NaCl were also investigated at 830�C and our results suggested that Na2CO3 and CaCO3 decomposed to CO2, calcium oxide (CaO) and sodium oxide (Na2O), and SiO2 only dissolved with a limited solubility. This suggests that molten salts could be suitable media to reducing CO2 emissions from such processes and hence improve the overall energy requirement. These MSS reactions were also depicted on predominance diagrams, to illustrate how these compounds could be produced using electrolytic methods.

12:30: [MoltenMonAM04]
Anodic Dissolution and Recovery of Gold and Silver from Waste Electronic Equipment by Using Ionic Liquids
Ana-maria Julieta Popescu¹ ; Virgil Constantin¹ ; Cristina Donath¹ ; Elena Ionela Neacsu¹ ; Vasile Soare² ; Marian Burada² ; Ionut Constantin³ ; Marcelle Gaune Escard⁴ ; ¹Ilie Murgulescu Institute of Physical Chemistry, Bucharest, Romania; ²National R&D Institute for Nonferrous and Rare Metals - IMNR, Pantelimon, Romania; ³National R&D institute for Nonferrous and Rare Metals - IMNR, Pantelimon, Romania; ⁴Polytech, Marseille, France;
Paper Id: 102 [Abstract]

Waste electric and electronic equipment (WEEE) are an important secondary source of rare and precious metals and their processing through ecological technologies constitutes a major concern in the European Union and contributes significantly to the reduction of environmental pollution and to the preservation of valuable resources of precious metals. The present work describes the application of ionic liquids (ILs) to selective dissolution and recovery of Au and Ag from the anodic slime obtained by a triple anodic dissolution of cast WEEE. The ionic liquid used (DES type) was choline chloride-ethylene glycol (molar ratio 1:2) at room temperature (250C) and iodine (in a concentration of 0.2 mol dm1) was used as a catalytic agent. The deposition potentials for Au and Ag were determined by cyclic voltammetry. By anodic dissolution and electrodeposition from the cast WEEE we obtained black gold and gray silver deposits. The SEM and EDX analyses reveal that cathodic deposition of >98% for both Au and Ag. This work demonstrates that ILs could be a solution to the selective recovery of precious metals from WEEE.

SESSION: MoltenMonPM-R3	Gaune-Escard International Symposium on Sustainable Molten Salt and Ionic Liquid Processing (5th Intl. Symp. on Sustainable Molten Salt and Ionic Liquid Processing)
Mon Oct, 23 2017	Room: Peninsula 1
Session Chairs: Sang-Eun Bae; Suhee Choi; Session Monitor: TBA

14:30: [MoltenMonPM05]
Co-Electrochemical Reduction of Carbon Dioxide and Steam to Hydrocarbons in Molten Carbonate
Ossama Al Juboori¹ ; George Chen² ; ¹The University of Nottingham, Nottingham, United Kingdom (Great Britain); ²University of Nottingham, Nottingham, United Kingdom (Great Britain);
Paper Id: 70 [Abstract]

Using carbon or fossil fuels in power generation has not been considered a serious issue until recent justification of rising atmospheric temperature as a result of increasing CO2 emission. Technologies that can absorb CO2 from the emissions and, more substantially, convert CO2 economically into useful materials, instead of simply storing the gas underground, are urgently needed. The process and chemical engineering aspects of the conversion of CO2 and water to beneficial gases via a molten salt route have not yet been examined properly other than the chemistry of the conversion itself which was well discussed. This research investigates the feasibility of producing hydrocarbons by the electrochemical reduction of CO2 and water in the ternary molten carbonates Li2CO3-Na2CO3-K2CO3 of (43.5-31.5-25 mol %) at atmospheric pressure. Various cathodic gases were formed during the electrolysis and the products were analysed using gas chromatography. The effect of molten salt temperature, and applied voltage were also examined. As a significant outcome, olefin hydrocarbon species (between C2 and C5) in addition to methane gas were found rather than parafins by 0.2 % of the whole cathodic gas produced during electrolysis at an applied voltage of 1.5 V and 4300C. The hydrocarbon products were associated with additional amounts of H2 and CO. During the electrolysis at 500 oC and the same applied voltage, the cathodic gasses collected and analyzed showed higher content of products between C5 and C8 (olefins and parafins) despite the decrease of the other hydrocarbon products in the range of (C2 -C4). The effects of CO2/H2O ratio of feed gas on the electrolysis were also discussed in this research. Because the electrolysis was also carried out without the use of any catalyst, the results are promising and encourage further fundamental investigation and technological development.

15:00: [MoltenMonAM06]
Electrochemical Behaviors of Uranium and Lanthanide Cations in LiCl-KCl Melt Investigated by Electrochemical and Spectroscopic Methods
Sang-eun Bae¹ ; Suhee Choi¹ ; Tae-hong Park¹ ; Jong-yun Kim¹ ; Young Hwan Cho¹ ; Jei-won Yeon¹ ; ¹Korea Atomic Energy Research Institute, Daejeon, Korea (Republic of [South] Korea);
Paper Id: 164 [Abstract]

Pyrochemical process has been considered as one of the options for a recycling technique of spent nuclear fuels. In the pyrochemical process, there exist a number of chemical elements, especially nuclear materials such as uranium, plutonium, and various fission products. In order to successfully accomplish the research for the pyrochemical process, accurate information on the chemical and electrochemical reactions of the elements in the molten salt should be acquired. A number of works have been performed to investigate the chemical and electrochemical properties of actinide and lanthanide ions in LiCl-KCl melt. It is well-known that spectroscopic tools such as UV-VIS absorption and laser induced luminescence spectroscopies as well as electrochemical tools such as cyclic voltammetry (CV) and rotating disk electrode (RDE) methods can give useful information for the chemical and electrochemical behaviors of the actinide and lanthanide ions in the solution. In this work, the spectroscopic and electrochemical methods were employed to investigate the behaviors of the elements in the LiCl-KCl melt. The oxidation state shift of the elements during electrochemical reactions of the uranium and lanthanide cations in LiCl-KCl melt was monitored by using the spectroscopic methods. Many useful electrochemical properties for the elements were collected in LiCl-KCl melt by using electrochemical methods such as CV and RDE. In particular, the RDE measurement could produce very useful parameters such as diffusion coefficients, Tafel slope, exchange current density, electron transfer coefficient, etc. In this presentation, we will show the research progress for the spectroscopic and electrochemical measurements of the actinide and lanthanide cations in the LiCl-KCl molten salt.

15:30: [MoltenMonAM07]
The prespect of Al production with Inert Anode
Yihan Liu¹ ; ¹Northeastern University, Shenyang City, China;
Paper Id: 108 [Abstract]

At present, the Hall-H��orult process is still extensively used in aluminium electrolysis, there are many problems in carbon anode, such as serious environmental pollution, high-quality carbon consumption and so on. Developing a new type inert anode to replace traditional carbon anode is an effective way to solve these problems. In view of its properties: excellent chemical stability, good corrosion resistance in Na3AlF6-Al2O3 molten salt, small swell-coefficient at high temperature and so on, NiFe2O4 based cermet is one of the most promising industrial inert anode materials, which have been researched widely by scholars all over the world. As for ceramic materials, the NiFe2O4, which possesses the structure of AB2O4 is the idealization inert anode ceramic matrix material could be widely used in Al electrolysis industry because it's good corrosion resistance and excellent stability in thermal and chemical composition. However, due to its bad conductivity, the NiFe2O4 can not satisfy the requirement that is the inert anode material must have enough good electrical conductivity. In order to overcome this defect, it is necessary to add some metal component which having good conductivity into the NiFe2O4 to fabricate the cermet material as an inert anode.

16:00: [MoltenMonAM08]
Thermodynamic and Transport Properties of Lanthanide(III) Halide - Alkali Metal Halide Systems
Leszek Rycerz¹ ; Anna Danczak¹ ; Ida Chojnacka¹ ; Marcelle Gaune Escard² ; ¹Wroclaw University of Science and Technology, Wroclaw, Poland; ²AIX-MARSEILLE UNIVERSITE/POLYTECH, CNRS/IUSTI UMR7343, Marseille, France;
Paper Id: 139 [Abstract]

Thermodynamic and transport properties of the LnX3-MX binary systems (M = Li, Na, K, Rb, Cs; Ln = lanthanide; X = halide) were measured by calorimetry, differential scanning calorimetry and capillary methods. These systems are characterized by negative enthalpies of mixing. The minimum of molar mixing enthalpy is shifted towards the alkali halide-rich composition and located in the vicinity of x(LnX3) of about 0.3-0.4. Ionic radius of the alkali metal as well as ionic radius of lanthanide and halide influence the magnitude of mixing enthalpy as well as the minimum position. Absolute value of mixing enthalpy increases with decrease of lanthanide ionic radius and decreases with increase of halide ionic radius. The dependence of interaction parameter , which represents energetic asymmetry of the melts under investigation, on composition can be undoubtedly ascribed to the formation of LnX63- octahedral complexes in the systems under investigation. The existence of these complexes is confirmed by electrical conductivity measurements of LnX3-MX liquid mixtures.
Temperatures and molar enthalpies of phase transitions of the M3LnX6 congruently melting compounds (M = K, Rb, Cs) were determined and compared. This comparison showed that M3LnX6 compounds could be divided into two groups: compounds, which are formed at higher temperatures from M2LnX5 and MX, and compounds, which are stable or metastable at ambient temperature. The heat capacities of M3LnX6 compounds were determined and fitted by equations, which provides a satisfactory representation up to the temperature of the Cp discontinuity. Electrical conductivity of solid phase of M3LnX6 compounds correlates well with their heat capacity. The specific behavior of the heat capacity and electrical conductivity dependence on temperature of solid M3LnX6 compounds is undoubtedly connected with disordering of cationic sublattice formed by alkali metal cations.

SESSION: MoltenTueAM-R3	Gaune-Escard International Symposium on Sustainable Molten Salt and Ionic Liquid Processing (5th Intl. Symp. on Sustainable Molten Salt and Ionic Liquid Processing)
Tue Oct, 24 2017	Room: Peninsula 1
Session Chairs: Rasmus Fehrmann; Georges Kipouros; Session Monitor: TBA

11:00: [MoltenTueAM01] Plenary
Cleaning of Industrial Gases by Ionic Liquids
Rasmus Fehrmann¹ ; Anders Riisager¹ ; Leonard Schill¹ ; Peter L. Thomassen¹ ; ¹DTU Chemistry, Lyngby, Denmark;
Paper Id: 90 [Abstract]

Atmospheric pollution and climate changes are now recognized to be severely influenced by the emission of acidic gasses; for example, NOX, SOX and COX from the combustion of fossil fuels in instances such as power plants, cement factories and ships. Accordingly, these gases have to be effectively removed from flue gasses. Presently, this is mainly achieved by relatively energy intensive and resource demanding technologies via selective catalytic reduction (SCR) of NOX with ammonia, SO2 wet-scrubbing by lime obtaining gypsum and CO2 wet-scrubbing with organic amines. The latter leads to particular concern about, e.g. intensive energy requirements for desorption, corrosion of steel pipes and pumps, CO2 absorption capacity and thermal decomposition of the amine. The structures of ionic liquids (ILs) are well-ordered even in the liquid state with regular cavities which can host selected solute species depending on the IL ion composition or contain reversible binding functionalities. This makes the materials promising for selective, reversible absorption of gaseous pollutants, such as in industrial off-gases. In this work, we demonstrate how more environmental friendly ILs as amino acid based ones can be applied as selective, high-capacity absorbents of CO2, exemplified by a tetraalkylphosphonium prolinate IL. In the context of CO2 removal, ILs are considered environmentally friendly because they are not emitted to the environment due to their negligible vapor pressure. In addition, an imidazolium nitrate IL is also investigated regarding absorption of NO. Few publications deal with possible interferences of other flue gas components with the IL absorbers. Thus we here also investigate the interaction of the selected ionic liquids with SO2, CO2, NO and air. Furthermore, different porous, high surface area carriers like mesoporous silica have been applied as supports for the ionic liquids to obtain Supported Ionic Liquid-Phase (SILP) absorber materials. These materials benefit from low mass transport resistance of the often very viscous ILs by the distribution of the liquid as a thin film (or small droplets) on the surface of the highly porous carrier materials enabling fast absorption/desorption rates of the particular gas to be removed by the SILP absorber. These powderous SILP materials may also be extruded with appropriate binders to multichannel rotating filters that might be installed in the flue gas duct of the industrial unit or used as filters for sweetening of bio- and natural gas by reversible selective gas absorption. The gaseous pollutant is then desorbed and obtained in concentrated form for further processing on site to e.g. commercial grade mineral acids or stored in underground reservoirs.

11:30: [MoltenTueAM02]
Anhydrous Feed Preparation for Molten Salt Electrolysis of Lanthanum Chloride
William Judge¹ ; Georges Kipouros² ; ¹Materials Science and Engineering, University of Toronto, Toronto, Canada; ²Materials Engineering, Dalhousie University, Halifax, Canada;
Paper Id: 187 [Abstract]

Many of the rare earth metals or their alloys are produced by molten salt electrolysis of their respective chlorides in alkali chloride melts. Perhaps somewhat surprising, one of the most substantial challenges here is the preparation of high-quality anhydrous feed material. Rare earth chlorides are extremely hygroscopic and if dehydration is conducted without sufficient precautions, hydrolysis and formation of hydroxychloride and oxychloride is favoured. The presence of these compounds in the feed material lower the current efficiency, increase the bath viscosity, consume the otherwise inert graphite anodes, and sediment in bottom of the cell, contaminating the metal product. To prevent hydrolysis, a certain partial pressure of hydrogen chloride must be maintained during dehydration, yet without detailed thermodynamic data available for most of the intermediate compounds, its pursuit appears fruitless. The presentation is summarizing an estimation and prediction model for the vapour pressures of rare earth chloride hydrates to determine the thermodynamic conditions for dehydration to proceed without hydrolysis. Thermodynamic data for intermediate hydrates and hydrolytic compounds are deduced from literature data and trends proven in similar systems. Results are presented for the case of lanthanum.

12:00: [MoltenTueAM03]
Ion-Specificity in Atmospheric CO2 Capture by Diamino Carboxylate PILs; Effect of Diluents
Tamas Oncsik¹ ; Benjamin Mitschke² ; Vijayaraghavan Ranganathan¹ ; Douglas Macfarlane² ; ¹Monash University, Clayton, Australia; ²Monash University, Melbourne, Australia;
Paper Id: 188 [Abstract]

Sharply rising level of atmospheric carbon dioxide is one of the biggest environmental concerns facing our civilization, resulting in an increasing importance of alternative modes of capturing this gas arising from anthropogenic emissions. Numerous materials have been proposed to capture and convert carbon dioxide into more precious materials, however none of these offers an energy efficient process. An alternative industrial method which would be appropriate in every respect is still lacking. In the present research project, several diamino carboxylate protic ionic liquids (PILs) were synthesized and tested for CO2 capture. Capacities as high as 16 %w/w are observed; this is well above the industrial standard monoethanolamine (MEA)/water mixture. Besides the neat ionic liquids, the effects of diluents such as water, the corresponding parent amine and MEA on the absorption capacities were investigated. IR and NMR spectroscopies were employed as analytical techniques to confirm the behavior of the different systems. Varying the amino-functionalities, as well as the alkyl chain length of the carboxylate anions, results in different absorption behavior where several trends were observed. Increasing the size of the anion produces a decrease in the absorption capacity. It was interesting to note that with addition of water, the trend remains the same in the case of the different anions; however, a systematic decrease in uptake indicates non-favorable conditions. PILs containing excess amine show higher uptakes, in contrast to the neat, which can be explained by the increased basicity of the reaction media. Addition of MEA diminishes the ion-specificity in case of the different cations, which can be attributed to the competing reactions between the CO2 and the two different amines in each system. The results generated from this project may help in understanding the CO2 capture mechanisms and be relevant in the development of novel type of absorbents for both flue gas capture and also future large-scale atmospheric capture technologies.

12:30: [MoltenTueAM04]
Real-Time Monitoring of Metal Ion Concentration in LiCl-KCl Containing Multi Component
Suhee Choi¹ ; Sang-eun Bae¹ ; Tae-hong Park¹ ; ¹Korea Atomic Energy Research Institute, Daejeon, Korea (Republic of [South] Korea);
Paper Id: 163 [Abstract]

Spent nuclear fuel (SNF) includes a significant amount of unreacted uranium with high-level radioactive fission products. Pyroprocess has attracted much attention for recovering the unreacted uranium and useful actinides and for reducing the volume of the high-level radioactive wastes. The main steps in the pyroprocess are electrorefining and electrowinning, where the U and actinide elements are recovered from the SNF. It is very important to monitor the concentrations of actinide and lanthanide ions during the operation of the process because the SNF includes nuclear materials. We previously reported that an electric charge obtained from a repeating chronoamperometry (RCA) technique was linearly proportional to the concentration of the neodymium up to 9 wt%. In this work, we applied the RCA technique for the measurement of the concentration of the uranium ion in LiCl-KCl melts containing multi-ions, which likely resembled a real reaction medium in the pyroprocess. We chose uranium, magnesium, and lanthanum as representatives for actinides and lanthanides. In particular, magnesium was selected as a surrogate of plutonium because standard redox potentials of magnesium and plutonium are similar. We measured apparent reduction potential of three elements using cyclic voltammetry (CV) before applying RCA. According to CV results, we carried out the RCA measurements of two-component and three-component systems with the electrodeposition at potentials of -1.7V, -2.05V, and -2.3V for U, Mg, and La, respectively, and the dissolution at a potential of -1V. Sequential electrodeposition and dissolution were repeatedly performed and the passed charges of the U dissolution increased linearly with the concentrations up to 9 wt% in the both two-component and three-component systems. The electric charge of Mg and La dissolution increased linearly with concentration up to 5wt%. Therefore, the RCA technique enabled the determination of the metal ion concentration in multi-component LiCl-KCl melts, demonstrating a potential for on-line monitoring of metal ion in the pyroprocess.

SESSION: CoatingsTuePM-R3	4th Intl. Symp. on Sustainable Surface and Interface Engineering: Coatings for Extreme Environments
Tue Oct, 24 2017	Room: Peninsula 1
Session Chairs: Pawel Rokicki; Sachin Patil; Session Monitor: TBA

14:30: [CoatingsTuePM05] Invited
Effect of laser shock peening (LSP) on tribological performance hot work tool steel
Sachin Patil¹ ; Valmik Bhawar² ; Prakash Kattire² ; Sandeep Thakare³ ; P.p. Date² ;⁰ ; ¹Bharat forge ltd,pune, PUNE, India; ², , ; ³Bharat forge limited, pune, India;
Paper Id: 212 [Abstract]

Laser shock peening (LSP) is surface enhancement technology used to improve fatigue life. This paper focused on to study the effect of laser peening on micro-structural and mechanical properties of AISI L6 hot work tool steel. Laser shock peening treatment was performed on these tool steel specimens by using laser with 1.6 J energy and 2 Hz frequency. X-ray stress analysis, micro-hardness testing and micro-structural analysis were performed to characterize these laser peened specimens. In addition, pin on disk wear testing were executed to recognize wear and fatigue behavior of this laser peened tool steels. It was observed that along with deep compressive residual stress generation, laser shock peening also induces work hardening effect which are responsible for significant improvement in fatigue and wear performance of this tool steel.

15:00: [CoatingsTueAM06]
SiO2 + Y2O3 Thermal Barrier Coatings On Ceramic Substrates
Pawel Rokicki¹ ; Marek Goral¹ ; Willy Kunz² ; Markus Loeffer³ ; Andre Clausner² ; Slawomir Kotowski⁴ ; Andrzej Nowotnik⁴ ; Ehrenfried Zschech⁵ ; Elżbieta Bąk¹ ; ¹Rzeszow University of Technology, Research and Development Laboratory for Aerospace Materials, Rzeszow, Poland; ²Fraunhofer-Institut fur Keramische Technologien und Systeme IKTS, Dresden, Germany (Deutschland); ³Technische Universitat Dresden, Dresden, Germany (Deutschland); ⁴Rzeszow University of Technology, Rzeszow, Poland; ⁵Fraunhofer Institute for Ceramic Technologies and Systems IKTS, Dresden, Germany (Deutschland);
Paper Id: 338 [Abstract]

Ceramic matrix composites are potential future innovative materials for high temperature application in gas turbines and aviation industry. Mechanical properties at elevated temperature reaching up to 1500°C make these group of materials suitable for increased efficiency and lower emission of the aircraft engine. However, corrosion resistance is still an issue, especially in meaning of water vapour. Moreover, thermal insulation is important for oxide ceramic matrix composites due to their low temperature limit. That is why new protective coatings in form of TBCs are needed to increase the potential of these materials. The research conducted within the international project funded from the European Union concerns development of the Atmospheric Plasma Spraying method in meaning of obtaining new material system based on ceramic matrix composite. The paper is focused on the first stage of preparation of the process. The aim is to develop the method of APS with YSZ on the ceramic substrate. The results obtained within the study will be used for development of the process parameters for advanced ceramic matrix composites. The study focuses on methodology that was applied in the research as well as the literature analysis.

15:30: [CoatingsTueAM07]
Enhancing Absorption of Solar Cell Thin-film Materials by Excitation of Plasmon Resonances in Noble-metal Nanoparticles; Example of Perovskites
Krystyna Kolwas¹ ; Anastasiya Derkachova¹ ; ¹Institute of Physics, Polish Academy of Sciences, Warsaw, Poland;
Paper Id: 260 [Abstract]

In the past few years, the photovoltaic field has experienced an extremely dynamic increase due to the development of perovskite-based photovoltaic devices that are expected to be the next generation solar cells due to relatively high power conversion efficiencies, long carrier lifetimes, and a significant defect tolerance for solution-processed polycrystalline films. However, absorption by perovskites (as well as by other photovoltaic materials) of solar radiation at longer wavelengths is not optimal. An admixture of metal nanoparticles and excitation of localized surface plasmons in these nanoparticles could establish a new route for an improvement of the performance of such devices. Excitations of plasmons give rise to a variety of effects tuned by their size and shape which result in strong electromagnetic field concentration and enhancement that occurs in the vicinity of the metal surface. The strong interaction of such nanoparticles with light makes them efficient receiving or/and scattering optical nanoantennas. Using the tools of electrodynamics, we predict a strong red-shift in the spectral activity of gold and silver nanospheres and modification (negative or positive) of white and solar light harvesting in the film of perovskite host caused by centrally distributed plasmonic nanospheres. The enhancement of absorption in perovskite host is proven to be possible for photons with energies close to or smaller than the energy bandgap in perovskite, with the final effect depending on the diameter of nanospheres, their concentration, and kind of metal. From the electronic band structure point of view, the predicted strengthening of absorption can be interpreted as the effect of semiconductor doping with metals resulting in increased photocurrent. We introduced several measures of absorption modification, which account for the gain and depletion of absorption in the host (perovskite thin film) versus nanoparticles size. The model can be applied to any film of absorbing materials containing any optically uncoupled, centrally distributed nanospheres. The most important finding is the predicted reinforcement of light harvesting in the perovskite host in the long wavelength spectral range, where, when undoped, it cannot absorb radiation. The reinforcement effect depends on the diameter of nanospheres, their concentration, and kind of metal. The predicted enhancement of light harvesting by incorporation of metal nanoparticles can be understood as the effect of semiconductor doping, which results in a behavior more similar to a conductor�s one with all consequences for the new allowed energy levels (bands) and boosting photocurrent. The predicted enhancement of light harvesting by incorporation of metal nanoparticles can be understood as the effect of semiconductor doping, which results in a behavior more similar to a conductor�s one with all consequences for the new allowed energy levels (bands) and boosting photocurrent. Our modeling opens the new way in understanding and predicting the enhancement of solar conversion efficiency in photovoltaic materials.

SESSION: MathematicsWedAM-R3	2nd Intl. Symp. on Sustainable Mathematics Applications
Wed Oct, 25 2017	Room: Peninsula 1
Session Chairs: Peter Rowlands; Dean Vucinic; Session Monitor: TBA

11:00: [MathematicsWedAM01] Plenary
Human Heart Beat Simulation based on Fluid-Structure Interaction
Dean Vucinic¹ ; ¹Vesalius College, Vrije Universiteit Brussel, Brussels, Belgium;
Paper Id: 346 [Abstract]

The modeling and visualization aspects underpinning the analysis of the numerical simulation data of the bidirectional Fluid-Structure Interaction (FSI) characterizing the human heartbeat are discussed in details. This approach involves the general-purpose Computational Fluid Dynamics (CFD) FlowVision code, and the SIMULIA Living Heart Human Model (LHHM). LHHM is a dynamic, anatomically realistic, 4-chamber heart model having 2 mechanical valves, which couples the multiphysics electrical and mechanical fields acting during the heartbeat. Their synchronous actions regulate the heart filling, ejection, and overall pump functions. Originally, LHHM comes with a 1D fluid network model, only capable of simulating the dynamic pressure/volume changes of the intra- and extra-cardiac circulation network model. A full 3D blood circulation is numerically modeled with FlowVision, which makes possible to apply a very detailed spatial and temporal resolution for modeling the cardiac hemodynamics, together with its time-varying boundary conditions of the heartbeat. In order to validate such approach, the bidirectional coupling between the FlowVision blood flow model (CFD) and the LHHM model (FEM) is integrated with the SIMULIA co-simulation engine. The performed numerical modeling and simulations of the human heartbeat, as fluid-structure interaction multiphysics phenomena are further analyses and discussed, together with the envisaged potential applications of such coupled modeling and simulation approach. Thus, especially interesting when the device interactions are necessary to be upfront considered to correctly predict their influence in the heart diseases treatment. Finally, it is concluded that such complex multiphysics heartbeat simulations data analysis requires advance modeling and visualization techniques to achieve the multidisciplinary integration of 3D electrical, structural, and fluid numerical models, expected to move this technology towards more realistic simulations of the cardiac mechanisms and thus, create new ways to treat cardiovascular disease in the future.

11:30: [MathematicsWedAM02]
The Holographic Principle
Peter Rowlands¹ ; ¹University of Liverpool, Liverpool, United Kingdom (Great Britain);
Paper Id: 122 [Abstract]

The holographic principle, conjectured to be a consequence of string theory and quantum gravity, may be a more general organizing principle within the universe. The isonilpotent generalization of the nilpotent structure of the fermion state implies that every system which obeys the fundamental conservation principles of energy, momentum and angular momentum, has a nilpotent or isonilpotent structure as a square root of zero. If the universe is a zero totality zero, then a system or discrete object of any size can only obey conservation principles, if the rest of the universe is mathematically structured as its dual or mirror image. The nilpotent representation is founded on a double space structure, with a form determined by the nature of the system. Typically, then, to specify a system, we require just two dimensions of one of these spaces. These may be manifested as a physical pairing of terms, such as energy and momentum, energy and time, momentum and position, space and time, or even two different aspects of angular momentum. These become the ‘areas’ of the holographic principle, which can also be correlated with real areas. The different representations can be correlated as manifestations of the way in which the ‘information’ driving physical and other systems is both stored and recovered.

12:00: [MathematicsWedAM03]
Performance Enhancement for Active Disturbance Rejection Control
Zhuoyun Nie¹ ; Yijing Ma² ; Qingguo Wang³ ; Ruijuan Liu⁴ ; ¹, Xiamen, China; ²School of Information Science and Engineering, National Huaqiao University, Xiamen 361021, China, Xiamen, China; ³Institute for Intelligent Systems, the University of Johannesburg, 2146, South Africa, Johannesburg, South Africa (zuid Afrika); ⁴School of Applied Mathematics, Xiamen University of Technology, Xiamen 361024, P. R. China., Xiamen, China;
Paper Id: 92 [Abstract]

Active disturbance rejection control (ADRC) is a new kind of control technology which improves the inherent tradeoff between fast response and overshoot in the classic PID control. The basic idea of ADRC control technology is regarding the model uncertainties, external disturbances and even nonlinearity as a total disturbance, which is estimated and actively compensated by an extended state observer (ESO). After that, pole placement is easily achieved by state feedback for the desired closed-loop system. ADRC has some remarkable advantages, with small overshoot, fast respond, high precision, strong robustness, and simple tuning rules. Many ADRC applications have been reported in the literatures, such as load frequency control, magnetic rodless pneumatic cylinder, and diesel engines. Originally, ADRC is a control technique proposed by Prof. Han in the form of nonlinear feedback, including a tracking differentiator for the desired response reference and nonlinear state error feedback for the control input and a nonlinear ESO for the state and disturbance estimations. However, complex control structure and nonlinear parameter tuning make it hard to implement with digital computer and limit its practical application. To simplify the tuning process, Gao proposed the linear active disturbance rejection control (LADRC) where linear ESO and state feedback are used. Furthermore, bandwidth parameterization method is proposed to reduce the number of parameters for ADRC to two bandwidth parameters, which are closely related to the tracking and disturbance rejection performance of the controlled system. Tan shown that linear ADRC structure can be changed to a two-degree-of-freedom internal model control (IMC) structure. The analysis of LADRC can be done via the IMC framework by tuning two time constants of the setpoint filter and the disturbance rejection filter in IMC. Although many remarkable applications and improvements are made to ADRC, the existing ADRC design and parameter tuning methods still have limitations. Firstly, we know that ADRC is independence of accurate mathematic model, but it demands the accurate relative degree for the extended state observer design. When the relative degree of the plant is changing, it is necessary to redesign ESO and controller parameters. Second, there is a strict requirement on the minimum-phase (MP) plant or non-minimum phase (NMP) plant because the designs for these two cases are fundamentally different. If uncertainties cause right-half plane (RHP) zero involved, the system would become unstable. This paper first introduces an integral action in the control structure of ADRC to improve the tracking error. For the uncertainties that would cover RHP zeros, full-dimension ESO is used in ADRC, which will also allow relative-degree changing. The control system can be simply tuned by bandwidth-parametric method with better performance. Finally, the validity of the proposed method and its advantages are demonstrated through the simulations of comparative examples.

12:30: [MathematicsWedAM04]
Model Reference Compensation of Rate-dependent Hysteresis Nonlinearity for Piezoelectric Actuator
Zhuoyun Nie¹ ; Qingguo Wang² ; Yijing Ma³ ; Ruijuan Liu⁴ ; Dongsheng Guo⁵ ; Hui Shao⁵ ; ¹, Xiamen, China; ²Institute for Intelligent Systems, the University of Johannesburg, 2146, South Africa, Johannesburg, South Africa (zuid Afrika); ³School of Information Science and Engineering, National Huaqiao University, Xiamen 361021, China, Xiamen, China; ⁴School of Applied Mathematics, Xiamen University of Technology, Xiamen 361024, P. R. China., Xiamen, China; ⁵, , ;
Paper Id: 93 [Abstract]

Smart materials, such as piezoelectric actuator, magnetostrictive actuator and memory alloy, play an important role of micro-positioning systems. Piezoelectric actuator is widely used in micro-positioning system, and exhibits the merits of high precision, large driving force and rapid response. However, the inherent hysteresis nonlinearity, often leads to tracking error and oscillations, which prevent its industry application. Piezoelectric actuator can be driven by direct current voltage. The existing control schemes can be divided into two categories: model-based and model-free. The first one compensates the nonlinearity by an inversed hysteresis model, which plays the role of a feed forward compensator. This method is dependent on the exact hysteresis model, and very sensitive to model error and uncertainty. Therefore, the model-free method has been paid great attentions for better performance. Xu proposed a slide mode control strategy for piezoelectric actuator without hysteresis model required. Zhang introduces disturbance observer (DOB) control for piezoelectric actuators using robust design. Combined with mode-based feed forward compensation and feedback control, an asymmetric hysteresis model is used for the composite control. Extended state observer (ESO) is originated from active disturbance rejection control (ADRC). The key idea of ESO is to regard model uncertain and external disturbance as an equivalent disturbance and make the real-time observation and compensation. Unlike the traditional disturbance observer, ESO exhibits strong ability in disturbance rejection by an extended state. It has been paid more and more attention in control theory and engineering. Recently, a new model reference control scheme has been proposed in some literatures. Different from the existing adaptive reference control, disturbance rejection technology was employed for the model reference compensation. The goal of the paper is to apply this method to a real piezoelectric actuator. The remainder of this paper is organized as follows. Section 2 introduce the mechanism of piezoelectric actuator. Section 3 presents the transformation of equivalent feedback model (EFM) and the proposed control scheme. Section 4 shows the experiment results to verify the effectiveness of the control method. Section 5 draws the conclusions.

SESSION: MathematicsWedPM-R3	2nd Intl. Symp. on Sustainable Mathematics Applications
Wed Oct, 25 2017	Room: Peninsula 1
Session Chairs: Zbigniew Oziewicz; Valeriy Dvoeglazov; Session Monitor: TBA

14:30: [MathematicsWedPM05]
The Feynman-Dyson Propagators for Neutral Particles (Local or Non-local?)
Valeriy Dvoeglazov¹ ; ¹Universidad de Zacatecas, Zacatecas, Mexico;
Paper Id: 35 [Abstract]

An analog of the $S=1/2$ Feynman-Dyson propagator is presented in the framework of the $S=1$ Weinberg's theory.The basis for this construction is the concept of the Weinberg field as a system of four field functions differing by parity and by dual transformations. Next, we analyze the recent controversy in the definitions of the Feynman-Dyson propagator for the field operator containing the $S=1/2$ self/anti-self charge conjugate states in the papers by D. Ahluwalia et al. and by W. Rodrigues Jr. et al. The solution of this mathematical controversy is obvious. It is related to the necessary doubling of the Fock Space (as in the Barut and Ziino works), thus extending the corresponding Clifford Algebra. However, the logical interrelations of different mathematical foundations with the physical interpretations are not so obvious (Physics should choose only one correct formalism - it is not clear, why two correct mathematical formalisms (which are based on the same postulates) lead to different physical results.)

15:00: [MathematicsWedAM06]
On the Negative-Energy 4-Spinors and Masses in the Dirac Equation
Valeriy Dvoeglazov¹ ; ¹Universidad de Zacatecas, Zacatecas, Mexico;
Paper Id: 36 [Abstract]

It is easy to check that both algebraic equation $Det (\hat p - m) =0$ and $Det (\hat p + m) =0$ for $u-$ and $v-$ 4-spinors have solutions with $p_0= \pm E_p =\pm \sqrt{{\bf p}^2 +m^2}$. The same is true for higher-spin equations. Meanwhile, every book considers the equality $p_0=E_p$ for both $u-$ and $v-$ spinors of the $(1/2,0)\oplus (0,1/2))$ representation only, thus applying the Dirac-Feynman-Stueckelberg procedure for elimination of the negative-energy solutions. The recent Ziino works (and, independently, the articles of several others) show that the Fock space can be doubled. We re-consider this possibility on the quantum field level for both $s=1/2$ and higher spin particles.

15:30: [MathematicsWedAM07]
Planetary Radar Astronomy must be Based on Compton's Phenomena of Conservation of Energy-Momenta
Zbigniew Oziewicz¹ ; ¹Universidad Nacional Autonoma de Mexico, Facultad de Estudios Superiores, Cuautitlan Izcalli, Mexico;
Paper Id: 96 [Abstract]

Planetary radar astronomy, interplanetary radar measurement gives an important information about solar system, and one can worry whether the mathematical and theoretical interpretation ad hoc in terms of the Doppler phenomena is in fact justified? Another phenomenon is the Compton reaction, and both different physical phenomena oers almost the same mathematical expressions, however, with deeply distinct conceptual meaning. A circularly polarized radio signal of a given frequency is transmitted from the ground to the moving planet, to the moving Moon, and to the moving spacecraft. Radar signal is re-transmitted (in fact reflected) and received at the ground at a reflected frequency: The textbooks and scientific journals publications claim that the difference between frequencies is caused by the Doppler shift. How much is such interpretation correct? The Christian Doppler (1803-1853) discovery in 1842 was the relativity of the radiation energy: radiation energy (radiation colour) depends on the choice of a reference body. With respect to a system of three reference bodies the given radiation possesses three different energies (three different frequencies). The radiation possesses the absolute non-spacelike energy momenta but if a reference body is not selected then does not exists the relative energy/frequency of radiation. Thus, the radiation energy is the explicit function of two variables, depends on a timelike reference body and depends on a non-spacelike radiation. In this paper I am arguing that the planetary radar astronomy must be based on the Compton phenomena of the energy-momenta conservation. The journals publications claim that the difference between frequencies is caused by the Doppler shift. How much is such interpretation correct?

SESSION: MultiscaleThuAM-R3	4th Intl. symp. on Multiscale Material Mechanics and Multiphysics and Sustainable Applications
Thu Oct, 26 2017	Room: Peninsula 1
Session Chairs: K.Y. Xu; Mei Zhang; Session Monitor: TBA

11:00: [MultiscaleThuAM01] Invited
Nanocarbon Foams: Fabrication, Characterization, and Application
Mei Zhang¹ ; ¹Florida State University, Tallahassee, United States;
Paper Id: 313 [Abstract]

Nanocarbon foam is a carbon nanotube based all carbon porous material. It consists of large numbers of micro-scale cells and sub-micro thick walls with nano-scale pores. Because of their unique structures, the nanocarbon foams show high capillary pressure, super-absorption, large working fluid storage, and fast fluid transfer capabilities. They are also conductive, lightweight, stable, and flexible. These features allow nanocarbon foams to be a novel wick material for thermal management products and have a better performance than current wick materials. The simple and scalable fabrication process could lead to low cost and high quality device manufacturing. The lightweight, super-elastic, and high stability properties of nanocarbon foams make them a unique alternative for the thermal management of portable and flexible electronic devices. In addition to thermal management, other applications of nanocarbon foams include use in electrodes for advanced batteries, in fuel cells, in pressure sensors, and in scaffolds for medical treatments. The detailed fabrication process, property characterization, and potential applications will be presented.

11:30: [MultiscaleThuAM02]
[Gradient Elasticity] Surface Stresses on the Size-dependent Behaviors of a Microplate
K.y. Xu¹ ; Yanmei Yue² ; ¹Shanghai University, Shanghai, China; ²Shanghai Universtiy, Shanghai, China;
Paper Id: 37 [Abstract]

The present paper develops a size-dependent Kirchhoff microplate model with surface effects by using simplified strain gradient elasticity theory and modified surface elasticity theory. This new model is able to capture size-dependent behaviors and surface effects. The most noticeable difference of the proposed model from the existing plate models about micro-plates is that not only strain gradient and surface stress are taken into account, but also the surface-induced internal residual stresses are considered. Based on whether the plates having surface-induced internal residual stress or not, their governing equations have distinct differences. The new plate model is applied to analyze the size-dependent bending, buckling, and free vibration behaviors of simply supported Kirchhoff microplate. The influence of surface-induced internal residual stresses is explored in this paper as well. The numerical results reflect that when the simply supported microplates do not have surface-induced internal residual stresses, internal length scale and surface residual stress have significant influence on the bending, buckling, and free vibration behaviors of the microplates. However, when the simply supported microplates have nonzero surface-induced internal residual stresses, the effects of internal length scale and surface residual stress become very weak. It indicates that the effect of surface-induced internal residual stresses can counteract most of the effects of internal length scale and surface residual stress. Therefore, this work provides a more general model for the analysis of microplate problems.

SESSION: BatteryMonAM-R4	4th Intl. Symp. on Sustainable Secondary Battery Manufacturing and Recycling
Mon Oct, 23 2017	Room: Peninsula 4
Session Chairs: Katerina Aifantis; Janna Maranas; Fuqian Yang; Session Monitor: TBA

11:00: [BatteryMonAM01] Invited
Mixed Anions Control Ion Assisted Conduction in Na Ion Batteries
Janna Maranas¹ ; ¹Penn State University, University Park, United States;
Paper Id: 149 [Abstract]

Polymer electrolytes have potential for use in next generation lithium and sodium batteries. Replacing the liquid electrolyte currently used has several advantages: it allows use of high energy density solid lithium as the anode, removes toxic solvents, improves safety, and eliminates the need for heavy casings. Despite their advantages, the conductivity of solid polymer electrolytes is not sufficient for use in batteries. As a result, considerable effort towards improving conductivity and understanding mechanisms of lithium transport has taken place over the last 30 years. This talk considers the use of mixed anions in polymer electrolytes. In simulations on Na conducting polymer membranes, we observe that ions aggregate in linear chains when the anion contains a ring structure. When the charge localization is varied, the length of the ion chains changes. Through this type of �experiment�, we find that ion-assisted, superionic, conduction occurs when ions move quickly along the outside of the ion chain, or in hop on/hop off collective events. Both are sensitive to the ion chain length. In this artificial tuning, the ion chain length is not predictable. Further, the corresponding experimental control is lacking. Here, we present a method to control the length of ion chains using mixed anions. A strongly binding anion forms the core of the ion chain, while weakly binding anions leave cations that lead to superionic conduction. The ratio of �core� anions to �mobile� anions controls the length of ion chains, and is easily duplicated in experiments.

11:30: [BatteryMonAM02] Invited
Au@TiO2 Nanotube Arrays as Durable Lithium-Ion Battery Negative Electrodes
Fuqian Yang¹ ; ¹University of Kentucky, Lexington, United States;
Paper Id: 341 [Abstract]

Processing and characterization of nanostructured materials play an important role in developing the next-generation anode materials for Li-ion batteries of high energy density and capacity in order to reduce the dependence on the use of fossil fuels and thus decrease the emission of greenhouse gases. The use of nanostructured materials, in particular, TiO2-based nanocomposites has become a promising strategy for improving the electrochemical performance and safety of Li-ion batteries. To increase the electrical conductivity of TiO2 (~10-13 S�cm-1), Au@TiO2 nanotube arrays are prepared via magnetron sputtering and heat treatment. The heat treatment not only leads to the transformation of TiO2 nanotube arrays from amorphous phase to anatase phase but also results in the diffusion of Au nanoparticles. X-ray diffraction, Field Emission Scanning Electron microscope, and Transmission Electron Microscope are used to characterize the microstructural evolution of the Au@TiO2 nanotube arrays. The prepared Au@TiO2 nanotube arrays are used as anode materials in lithium ion batteries, which deliver a higher capacity than pure TiO2 nanotube arrays.

12:00: [BatteryMonAM03]
A New Synthetic Route to Anhydrous Metal Fluoride Nanocomposites for High Capacity Cathodes of Secondary Li Batteries
Jinyoung Chun¹ ; Jinwoo Lee² ; ¹Korea Institute of Ceramic Engineering & Technology (KICET), Jinju, Korea (Republic of [South] Korea); ²POSTECH, Pohang, Korea (Republic of [South] Korea);
Paper Id: 95 [Abstract]

Metal fluorides (MFx) are known as promising cathode materials for secondary Li batteries that exhibit high theoretical operating voltages as well as large specific capacities. The high ionicity of M-F bonds results in higher reaction potentials that other metal compounds, and multiple Li ions per unit formula participated in the charge/discharge process based on conversion reactions. However, a limited number of synthetic methods for preparing MFx electrodes currently exist, which has made it difficult to control the morphology of particles and fabricate designed nanostructures to alleviate the intrinsic chemical and electrochemical drawbacks of MFx.<br /> In this study, we developed a new synthetic route to anhydrous MFx(CuF2, FeF3, and CoF2) nanocomposites using ammonium fluoride(NH4F). We discovered that various metal precursors can be directly converted to anhydrous MFx through heat treatment with NH4F under an inert atmosphere. This simple, less-hazardous, and versatile method enabled synthesis of MFx nanoparticles confined in nanoporous carbon efficiently. Moreover, using XRD analysis, we also proposed the reaction mechanism of this synthetic method. As the cathodes of secondary Li batteries, all MFx nanocomposites (MFx/nanoporous carbon) showed noticeable improvements in electrochemical performance through conversion reactions. Especially, in the case of FeF3 nanocomposites, it maintained a capacity of 650 mAh/g,FeF3 over 50 cycles (~90% of its initial capacity); to the best of our knowledge, no such a superior cyclability of FeF3 with a high capacity has been reported previously. CuF2 and CoF2 nanocomposites also maintained discharge capacities of ~200 mAh/g,CuF2 (20th cycle) and ~400 mAh/g,CoF2 (30th cycle), respectively. It is expected that this study will motivate further research into various MFx for high capacity cathodes of secondary batteries.

12:30: [BatteryMonAM04] Invited
The Role of Stress-diffusion Interactions on the Fracture and Crack Growth in Lithium Ion Battery Electrodes Using the Extended Finite Element Method
Katerina Aifantis¹ ; Narasimhan Swaminathan² ; Sundararajan Natarajan² ; ¹University of Arizona, Tucson, United States; ²Indian Institute of Technology Madras, Chennai, India;
Paper Id: 270 [Abstract]

In this paper, we study the effects of stress-diffusion interactions on the fracture behaviour and the crack growth of Lithium ion battery electrodes. A coupled mechanical equilibrium and Lithium diffusion accounting for the effect of stress on diffusion and the effect of advancement of the front to the crack growth is considered. The discontinuous fields are represented independent of the mesh within the framework of the XFEM and linear elastic fracture mechanics. The advancing front is represented by the level sets and the stress distribution and the fracture parameters are estimated to understand the stress development during lithiation. The fracturing is simulated based on the maximum principal stress criterion. The numerical results are compared with available experimental results. The proposed framework will provide insights into understanding the failure and degradation of the electrodes under potentiostatic and galvanostatic conditions. The influence of the particle size and shape on the fracture parameters and the stress distribution is also investigated.

SESSION: BatteryMonPM-R4	4th Intl. Symp. on Sustainable Secondary Battery Manufacturing and Recycling
Mon Oct, 23 2017	Room: Peninsula 4
Session Chairs: Yang-Tse Cheng; Jonghyun Park; Session Monitor: TBA

14:30: [BatteryMonPM05] Invited
Hybrid Three-dimensional Electrodes Based on Additive Manufacturing
Jonghyun Park¹ ; Jie Li¹ ; Ming Leu¹ ; Rahul Panat² ; ¹Missouri University of Science and Technology, Rolla, United States; ²Carnegie Mellon University, Pittsburgh, United States;
Paper Id: 345 [Abstract]

In this study, a new hybrid 3D structure electrode is, for the first time, proposed that can achieve high battery performance, such as high areal energy and power density. The proposed structure utilizes the advantages of digital structure to break through the limitation posed by the conventional laminated structure, which can be applied to large scale battery formats. An extrusion-based additive manufacturing method is used to fabricate this hybrid 3D structure by using the conventional solution, which resolves the typical challenges in preparing solutions for the extrusion process. The results indicate that significantly enhanced areal energy and power densities can be achieved with the hybrid 3D structure. The hybrid 3D structure LiMn2O4 battery shows superior performances, in terms of specific capacity and areal capacity. More importantly, compared to the conventional structure, the hybrid 3D structure was more efficient and had much higher lithium ions utilization, which presents a new possibility for preparing an electrode with excellent electrochemical performance. This work resolved fabrication, solution preparation, and assembly issues for a scaled up 3D battery via the extrusion-based additive manufacturing method. It demonstrated that the proposed 3D structures provide a high specific surface area and quick responses, which are the key challenges in the area of materials science involving two interfaces and their kinetic reactions.

15:00: [BatteryMonAM06] Invited
Overcoming Manufacturing Limitations for Lithium-Sulfur Batteries with over 500 Wh/kg Energy Density
Mengya Li¹ ; Rachel Carter¹ ; Cary Pint¹ ; ¹Vanderbilt University, Nashville, United States;
Paper Id: 347 [Abstract]

One of the key obstacles in the realization of high energy density lithium batteries exceeding 500 Wh/kg is the development of scalable manufacturing methods to produce stable and high mass and areal loading sulfur cathodes. In this talk, I will discuss our recent efforts that have addressed the manufacturing challenges posed by thermal melt diffusion infiltration of sulfur, which remains the most widely used technique to produce carbon-sulfur composites, through the development of a scalable capillary force driven manufacturing technique. This technique enables thick carbon host materials to be site-selectively infiltrated with sulfur (over 70 wt.%) in a matter of minutes with low-temperature thermal processing below 170 oC. This is compared to melt infiltration methods that usually require over 12 hours of processing at similar temperatures, yield no control of sulfur morphology or location, and hence exhibit poor sample-to-sample reproducibility. By leveraging this technique, our team has been able to iterate across numerous studies that I will discuss evaluating and demonstrating critical performance criteria that can enable lithium-sulfur batteries with energy density in packaged battery systems exceeding 500 Wh/kg. This includes (1) stability enabled by nanoscale V2O5 binding materials that mitigate polysulfide dissolution that lowers Coulombic efficiency and leads to anode fouling, (2) high areal capacities exceeding 19 mAh/cm2 with sulfur mass loading exceeding 75 wt.%, and (3) high sulfur utilization and retention that is strongly associated with combined sulfur morphology and polar binding properties in a sulfur-carbon composite material. Our work gives promise to a route that bypasses the high cathode material and processing cost in Li-ion batteries, sustains the scalability, throughput, and reliability needed for battery manufacturing, and overcomes performance limitations of prior approaches described in the literature that rely heavily on melt diffusion processing of sulfur-carbon composite cathodes.

15:30: [BatteryMonAM07] Invited
A solvent-free dry powder coating process for low-cost manufacturing of lithium ion battery electrodes
Yang-tse Cheng¹ ; Mohanad Al Shroofy¹ ; Ming Wang¹ ; ¹University of Kentucky, Lexington, United States;
Paper Id: 274 [Abstract]

Conventional, state-of-the-art, wet slurry mixing and coating processes of making battery electrodes are over 100 years old and have been recognized as slow, high-cost, low-quality steps in battery manufacturing. The mixing process is used to produce a slurry that consists of active material, polymer binder, conductive filler, and organic solvent. When an appropriate viscosity is obtained, the slurry is coated onto a conductive metal foil. Because of the large amount of organic solvent used, the coating must be dried in an oven for several hours before it is calendered to form the desired thickness and porosity. Evaporation of the organic solvent consumes energy, requires the use of a large amount of material that is not part of the final product, and has a negative environmental impact. We recently developed an electrostatic spray process for making the positive and negative electrodes in lithium-ion batteries. This process does not use organic solvents that are used in conventional wet slurry manufacturing processes, thus eliminating volatile organic compound emission and reducing the time and energy associated with thermal drying. The performance and durability of electrodes made by the dry and wet processes are comparable, suggesting that solvent-free dry coating processes, such as electrostatic spraying, may replace the conventional wet slurry method of making battery electrodes.

16:00: [BatteryMonAM08] Invited
Protection Strategies for Lithium Anode in Lithium-sulfur Battery
Guoran Li¹ ; Sheng Liu¹ ; Xueping Gao¹ ; ¹Nankai University, Tianjin, China;
Paper Id: 296 [Abstract]

Lithium-sulfur rechargeable battery using metallic lithium as anode has a theoretical energy density of 2600 Wh Kg�C1. This means that lithium-sulfur battery will be one of the promising next generation batteries for mobile devices like cell phones and electrical vehicles. However, the highly reactive metallic lithium in lithium-sulfur batteries can easily induce a series of problems, such as unstable lithium/electrolyte interface, uneven deposition/dissolution of lithium, and massive surface defects. As a result, lithium-sulfur batteries can be thoroughly destroyed after some charge-discharge cycles due to powderization of metallic lithium anode. Here we introduce our works on protection of metallic lithium anode, including the application of the protective layer, optimization of battery fabrication, alloying of anode, and the introduction of electrolyte additives. These efforts can effectively restrain the reactive activity of lithium anode, and improve stabilization of lithium anode in the cycling of lithium sulfur rechargeable batteries. It is very significant for developing long cycling lithium sulfur rechargeable batteries.

SESSION: BatteryTueAM-R4	4th Intl. Symp. on Sustainable Secondary Battery Manufacturing and Recycling
Tue Oct, 24 2017	Room: Peninsula 4
Session Chairs: Tetsuya Yamada; Katsuya Teshima; Session Monitor: TBA

11:00: [BatteryTueAM01] Invited
Flux growth of submicron, polyhedron LiCoO2 single crystals and their Li+ transportation nature at high electrochemical load
Tetsuya Yamada¹ ; Nobuyuki Zettsu¹ ; Katsuya Teshima¹ ; ¹Center for Energy & Environmental Science, Shinshu University, Nagano, Japan;
Paper Id: 340 [Abstract]

Development of high-power density battery is one of important issues for managing high-performance energetic applications including electric vehicles, rescue robots, elevating machines, and so on. Lithium cobalt oxide, LiCoO2, is one of the most popular active materials in lithium ion secondary batteries because of exhibiting good conductivities with reasonable capacity. Toward the application of LiCoO2 as high-output uses, there are still some issues to be solved. Usually, LiCoO2 was prepared by solid-state reaction, which provided a few micron-size polycrystals with inhomogeneous distribution in shapes. Under high loading rate, it is presumed that the usual LiCoO2 particles undergo local overcurrent and volume changes during lithiation / delithiation caused by aggregation and inhomogeneous natures of them. Since these electrochemical overloads would lead serious degradation in the cycle abilities, improvements of LiCoO2 are inevitable. There are two kinds of approaches for the improvement. The first one is modification of chemical compositions, including doping with other elements, coating with inactive materials, and the second one is control of crystallographic characteristics, such as crystal habits, particle dispersibility, and sizes. Combining them, synergetic improvement of LiCoO2 toward high-output battery would be possible. Recently, we have grown LiCoO2 single crystals by using flux method, which is one of liquid-phase crystal growth techniques. Exhibiting submicron-size, dispersed, low-aspect ratio with rich a, b faces, and high crystalline natures, which commonly provide efficient electron and Li+ transportations, it is expected that the flux grown LiCoO2 crystals inhibit the unfavorable electrochemical degradations at high electrochemical load. In this report, we applied the flux grown LiCoO2 crystals to the active materials for high-output batteries. The effects of crystallographic characteristics of the LiCoO2 to the battery performances were examined at 10C rate, coupled with their degradation manners in terms of morphologies and chemical phases.

11:30: [BatteryTueAM02] Invited
Energy Density Limitation of Lithium-Sulfur Batteries
Chao Shen¹ ; Jianxin Xie¹ ; Mei Zhang¹ ; Petru Andrei¹ ; Jim Zheng¹ ; ¹Florida State University, Tallahassee, United States;
Paper Id: 343 [Abstract]

Lithium-sulfur (Li-S) batteries are among the most promising candidates for the next generation rechargeable batteries due to their high energy density, low raw material cost and environmental friendliness. Although Li-S batteries possess a high theoretical cathode specific capacity of 1,672 mAh g-1, the energy density of practical Li-S batteries is much smaller and depends on electrolyte/sulfur (E/S in mL g-1) ratio. From previous works, successful operation of Li-S batteries under lean electrolyte conditions can be challenging, especially in the case when the solubility of lithium polysulfide (LiPS) sets an upper bound for polysulfide dissolution. Very recently, we have demonstrated that the E/S ratio of Li-S cells has a significant effect on both performance and theoretical energy density of Li-S batteries. Since the lower-bound for E/S ratio is restricted by the solubility of LiPS in the organic electrolyte, the theoretical energy density of Li-S batteries is significantly reduced. Experimentally, it was approved that when the LiPS concentration reached to the solubility limitation in the electrolyte, the reaction rate of reducing sulfur to LiPS in the cathode will reduce significantly. In this talk, we will discuss the relationship between theoretical specific energy and the solubility of LiPS in the electrolyte. The experiments were also proved that the solubility of LiPS could be the ultimate limitation to the energy density of Li-S batteries.

12:00: [BatteryTueAM03] Invited
Flux growth concept as new approaches to highly crystalline materials: A challenge for next-generation energy devises
Katsuya Teshima¹ ; ¹Center for Energy & Environmental Science, Shinshu University, Nagano, Japan;
Paper Id: 339 [Abstract]

Lithium ion secondary batteries (LIBs) have been extensively studied because of their potential use as power sources in mobile electronics, hybrid-electric vehicles and next-generation electric mobilities. Recently, we are especially focusing on all-crystal (solid)-state LIBs. They have attracted significant attention due to their high energy densities, that is, originating from the device miniaturization, and high safety caused by their non-flammability. However, there is extremely large innovation gap between general LIBs and all-solid-state LIBs because of difficulties in smooth lithium ion transfer, i.e., diffusion of lithium ions and electrons are interfered at interfaces of different solid materials. Therefore, we have tried to control and design their interfaces between active materials and solid electrolytes and fabricate materials for all-solid-state LIBs on the basis of crystal science and engineering. Water-splitting by photocatalysts have been investigated because of expectation to supply clean and recyclable hydrogen energy. In general, photocatalysts, as represented by TiO2, are activated by only ultraviolet light illumination due to their wide band gap. Although these UV-light-driven photocatalysts can split water in a proper condition, the solar energy conversion efficiency is rather low because UV light energy is just several percent in total energy of sun light on the earth, and visible light accounts for almost half of the solar energy. From the viewpoint of increase the efficiency and industrial application of solar hydrogen production, visible-light-driven photocatalysts have intensively attracted research interests. In particular, oxynitride and nitride semiconductor photocatalysts are one of promising materials for construction of photocatalytic water splitting system. Our group has researched a classic flux method for preparing active materials and solid electrolytes for all-solid-state LIBs, and visible-light-driven photocatalysts for solar hydrogen production, and developed flux coating method for fabricating highly crystalline layers on metal collectors. The flux method is a nature-mimetic liquid phase crystal growth technique, and has several advantages over other methods like solid state reaction. It is a relatively low-temperature process that requires very simple equipment, and high-quality crystals with well-developed facets can be grown. The details of materials preparation and interfaces design by use of our flux crystal growth concepts will be presented in the SIPS2017 conference.

12:30: [BatteryTueAM04] Invited
Limiting Fracture by Fabricating Nano-porous Si Electrodes
Katerina Aifantis¹ ; ¹Univ of Florida, Gainesville, United States;
Paper Id: 371 [Abstract]

Si is the most promising anode for Li-ion batteries, as it allows for a capacity that is 10 times greater than that of commercially used graphite. The limiting factor in commercializing it, however, is the severe fracture it experiences from the first electrochemical cycle, which reduces the capacity over 50% after the first few cycles. A new type of microstructure is presented here that can inhibit fracture in Si anodes by patterning the Si surface with microcones which have a nano-porous surface. Such microstructures did not exhibit the typical dry-bed fracture that Si films exhibit from the first electrochemical cycle, and retained their structural stability for twenty cycles. Furthermore, a very thin solid electrolyte interface layer was observed. To understand this unique behavior a multi physics model is developed that can capture the behavior of continuous and patterned Si films, by considering stress-assisted diffusion.

SESSION: RecyclingWedAM-R4	5th Intl. Symp. on Sustainable Materials Recycling Processes and Products
Wed Oct, 25 2017	Room: Peninsula 4
Session Chairs: Teodora Retegan; Christoph Sorger; Session Monitor: TBA

11:00: [RecyclingWedAM01] Plenary
Thermodynamic and Kinetic Investigations of Leaching Calcined By-products of EAF Dust Waelz Process in Sodium Hydroxide Solutions
Pavel Kozlov¹ ; A. Panshin² ; Sergey Yakornov³ ; Sergey Mamyachenkov⁴ ; ¹UMMC-Holding, Moscow, Russian Federation; ²LLC �UMMC-Holding", Verkhnyaya Pyshma, Russian Federation; ³LLC "UMMC-Holding", Verkhnya Pyshma, Russian Federation; ⁴UMMC Technical University, Verkhnya Pyshma, Russian Federation;
Paper Id: 129 [Abstract]

Electric-arc furnace dust (EAFD), containing Zn more than 20%, is prospective raw-material for zinc, lead, and other valuable components recovery. Pyrometallurgical EAF dust treatment has low selectivity, poor quality final products, high consumption of carbon reducing agent, and environmental hazards. The presence of high ferrite and impurities, especially halides, don’t allow wide applications of hydrometallurgical methods. To increase zinc extraction at the stage of leaching, it is necessary to develop processes of EAF dust pretreatment for the purpose of ferrite destruction and halides removal. The most rational variant is the two-stage EAF dust Waelz process, with chlorides vaporization and production of zinc-containing calcined by-products. Alkaline leaching of such material allows to selectively recover zinc into concentrated solutions. It allows to produce high-quality zinc powders. This process requires minimum capital and operating costs, and has minimum influence on the environment.

11:30: [RecyclingWedAM02]
[Solid and liquid wastes from industrial processes: Innovations in material recovery and environmental protection] Separation of REEs from Fluorescent Lamp Waste Fractions
Teodora Retegan¹ ; Cristian Tunsu¹ ; ¹Chalmers University of Technology, Gothenburg, Sweden;
Paper Id: 69 [Abstract]

Separation of REEs from fluorescent lamp waste has been a very successful project financed by Formas and Energimyndigheten between 2010-2014, aimed at recycling of Rare Earth Metals (REMs) from low energy lamps after Hg decontamination step. The project has been carried-out in close collaboration with an industrial partner (Nordic Recycling AB), CIT (Chalmers Industritechnik) and IVL (Swedish Environmental Research Institute). A hydrometallurgical process was developed, comprising a leaching step for mercury (using iodine solutions) and subsequent selective leaching of remaining components. The hydrometallurgical decontamination process can be viewed as a simpler and possibly cheaper alternative to the energy intensive thermal treatment for reducing mercury levels in heavily contaminated samples. Cyanex 923 in kerosene allows the separation of REEs from other elements, leading to significantly better results compared to other extraction systems e.g. TBP. Separation of a REEs concentrate was achieved using mixer settlers. From here, the stream can be further processed for further separation using e.g. more selective extractants or a larger number of extraction stages. In December 2014, the project has reached the laboratory pilot stage. Due to the success of the project, the industrial partner together with other 3 SMEs (MEAB, MRT and CIT) and Chalmers group have decided on scaling-up the project and installing a pilot plat at the industrial partner�s site. The whole process makes the subject of this work.

12:00: [RecyclingWedAM03]
Pyrometallurgical Processing and Slag Analysis of Waste Electrical and Electronic Equipment
Christoph Sorger¹ ; Stefan Luidold² ; Stefan Konetschnik³ ; Tim Haslinger³ ; ¹Montauniversitaet Leoben, Leoben, Austria; ²Montanuniversitaet Leoben, Leoben, Austria; ³, , ;
Paper Id: 59 [Abstract]

Due to the increasing demand of electronic devices the amount of waste electrical and electronic equipment (WEEE) continuously rises. Therefore suitable recycling processes are essential in order to treat such 'End of Life' - products. The necessity is given on the one hand on the valuable and also critical containing metals (such as copper and the precious ones) and on the other hand on hazardous substances (like brominated flame retardants), which might be manufactured in these appliances. Pyrometallurgical melting procedures represent one possibility for a proper recycling. A big environmental problem lies in the fact that with usage of a direct incineration the hazard of the formation of dangerous halogenated dioxins and furans is given, which can be avoided by a previous pyrolysis step or a proper post-combustion. The product of such processes are metallic, slag and gaseous phases. The less noble elements form an oxidic slag phase. Due to the fact that this by-product might contain a lot of various elements (like iron, silicon, aluminum, calcium, etc) depending on diverse process conditions an appropriate investigation is necessary. This includes the different containing phases as well as the melting behavior in order to implicate a suitable treatment of such a slag.

12:30: [RecyclingWedAM04]
[Solid and liquid wastes from industrial processes: Innovations in material recovery and environmental protection] ACCEL Project by JST Program for Gas Separation by PCPs/MOFs
Takaiku Yamamoto¹ ; ¹Kyoto University, Osaka, Japan;
Paper Id: 33 [Abstract]

ACCEL by JST(Japan Science and Technology Agency) aims to set a path to the next phase, such as company R&D, venture start-up and other public funding, based on the outputs of the Strategic Basic Research Programs (CREST, PRESTO, ERATO, etc.) that have the potential to be world-leading but cannot be continued by companies and other organizations due to their perceived risks. The Program Manager (PM) leads research and development with the innovation requirements and goals, demonstrating Proof of Concept (POC) and promoting the appropriate rights arrangements. our porous coordination macromolecule (PCP) has an original characteristic, in addition, to have both flexibility rigidly.) which we developed in ERATO It is provided as one of the result of the ERATO study that the performance (ability for gas storage, release) as gas separation materials of this PCP is high markedly and, in ACCEL, draws a gas storage, release ability of this PCP to the maximum and puts use expansion by the downsizing of profitability and the gas separation device of the PCP production in the field of vision and space-saving perform research and development for the realization of the gas separation technology that is high efficiency by energy saving. Specifically, we promote the following research and development. We separate oxygen, carbon monoxide, hydrogen, methane with high needs from air or natural gas in cheapness, energy saving, high efficiency as an industrial use and create a technique to store it and aim at industry reinforcement of our country and the contribution to saving energy.

SESSION: RecyclingWedPM-R4	5th Intl. Symp. on Sustainable Materials Recycling Processes and Products
Wed Oct, 25 2017	Room: Peninsula 4
Session Chairs: Juergen Antrekowitsch; Stefan Wegscheider; Session Monitor: TBA

14:30: [RecyclingWedPM05]
Recycling of Jarosite and Electric Arc Furnace Dust in a Metal Bath Process to Recover Valuable Metals
Stefan Wegscheider¹ ; Juergen Antrekowitsch² ; Stefan Steinlechner³ ; ¹Montauniversitaet Leoben, Leoben, Austria; ²Christian Doppler Laboratory for Optimization and Biomass Utilization in Heavy Metal Recycling, Leoben, Austria; ³Chair of Nonferrous Metallurgy, Leoben, Austria;
Paper Id: 57 [Abstract]

The recycling of hazardous metallurgical waste, such as jarosite, a precipitation residue from the hydrometallurgical zinc winning route and electric arc furnace dust (EAFD) from the iron and steel industry displays one aim for the future to open up new chances for secondary resources and to avoid landfilling. More than 50 % of the worldwide production of EAFD and the majority of the jarosite are still dumped, although there are valuable metals, such as zinc, lead, indium, silver and iron present in these by-products. Since the EAFD and the jarosite represent a high economical potential, a metal bath process offers a possibility to reprocess both residues together and to achieve a multi-metal recovery. The advantages of the process are that two residues can be treated together to recover valuable metals, while at the same time no more dumping of the waste is necessary. The products of the process include a metal-bearing off-gas, an iron alloy as well as a slag. This paper describes the concept of the developed metal bath process and shows first results of carried out lab-scale trials.

15:00: [RecyclingWedAM06]
[Solid and liquid wastes from industrial processes: Innovations in material recovery and environmental protection] Sustainable Technologies to Save Energy and Reduce Emissions in Metal Recycling Processes
Rocky (zhong-ling) Wei¹ ; Joachim Von Scheele¹ ; ¹The Linde Group, Shanghai, China;
Paper Id: 153 [Abstract]

Recycling is becoming a more and more important resource of metal. In electronics and car recycling, this mainly applies to copper, iron, steel, lead, aluminum, and gold. The combustion processes in the metal recycling process are a large user of energy and source of emissions. There are two main ways to save energy and reduce emissions in those processes: the Direct Way �C the most efficient ways to save energy and decrease emissions are to minimize the need and the generation, respectively; the Indirect Way �C energy recycling and post treatment to remove CO2, NOx, SOx, etc. There is large short-term opportunity to decrease energy use and emissions from the metal recycling industry sector by using the Direct Way. It has been proven that the need for energy in many of these combustion processes can be reduced by 20-50% by applying different types of oxyfuel combustion �C an excellent example of the Direct Way. Reduction of CO2 emissions will follow the reduced energy need. A special combustion technology called Flameless Oxyfuel is also very efficient to reduce NOx emissions. Linde��as a global leading industry gas company, has pioneered the development and implementation of flameless oxyfuel technology in the copper, lead and aluminum recycling industries. Flameless Oxyfuel provides an overall thermal efficiency in the heating of 80%; the commonly used air-fuel that reaches 40-60%. With Flameless Oxyfuel, compared to air-fuel, the energy savings are at least 25%, but many times 50% or even more. The corresponding reduction in CO2 emission is also 25-50%. Savings in terms of NOx emissions are substantial, sometimes exceeding 90%. Flameless Oxyfuel combustion has major advantages over conventional oxyfuel and, even more, over any kind of air-fuel combustion. The improved temperature uniformity is a very important benefit, which also reduces the fuel consumption further. Over the past decades, there were many hundreds of successful installations of different oxygen and oxyfuel solutions in the metal recycling industry sector, all resulting in reduced fuel consumption and less emissions. Here follows are examples: OXYGON vessel preheating, Flameless Oxyfuel for copper and lead recycling, LTOF for aluminum recycling; Installations of OXYGON, LTOF and have demonstrated reductions of the hazardous NOx emissions by 60-95%. Flameless Oxyfuel solutions are creating benefits for the metal recycling industry sector in terms of cost savings and improved working environment, but also for the society as a whole. This is particularly important in Asia, with both a large population and a huge heavy industry production. These well-established technologies can strongly support a quick path to make the metallurgical processes in the metal recycling industry ��green��!

15:30: [RecyclingWedAM07]
[Solid and liquid wastes from industrial processes: Innovations in material recovery and environmental protection] Pilot Scale Tests for Recycling of Photovoltaic Panels by Physical and Chemical Treatment
Francesca Pagnanelli¹ ; Pietro Altimari² ; Emanuela Moscardini³ ; Luigi Toro² ; Thomas Abo Atia² ; Ludovica Baldassari⁴ ; Flavia Carla Dos Santos Martins Padoan¹ ; ¹Sapienza University of Rome, Rome, Italy; ²Sapienza University, Rome, Italy; ³Sapienza University, Roma, Italy; ⁴Eco Recycling srl, Cerveteri, Italy;
Paper Id: 331 [Abstract]

In this work, the experimental results of the treatment at pilot scale of photovoltaic panels of different technologies were reported. The recycling route includes a sequence of mechanical and chemical operations in order to recover glass and other useful materials. After mechanical treatment, ground material is sieved and only the coarse fraction is treated by solvent treatment in order to have the detachment of panel fragments into different components: solar grade glass, metallic filaments, back sheet foils (Tedlar), polymeric gluing components (EVA aggregates). The fine fractions emerging from mechanical treatment is treated by acid leaching in order to remove metals and obtain another recoverable glass powder. Recycling rate of the demonstrated process was 80% and 85% for Si based panels and CdTe panels, respectively.

16:00: [RecyclingWedAM08]
Effect of Ferronickel Slag on the Properties of Construction Materials
Izet Ibrahimi¹ ; Musa Rizaj² ; Nurten Deva³ ; Florian Kongoli⁴ ; Edward Z. Obrien⁵ ; ¹UMIB, Mitrovica, Mitrovice, Albania; ²University of Prishtina ''Hasan Prishtina'', Prishtina, Kosovo; ³Public University of Mitrovice - Isa Boletini - , Faculty of Geosciences, Republic of Kosova, Mitrovice, Kosovo; ⁴Flogen Technologies Inc., Mont-Royal, Canada; ⁵FLOGEN TECHNOLOGIES INC, Wilmington, United States;
Paper Id: 193 [Abstract]

Ferronickel slags, due to their physicochemical characteristics, have good potential to improve the performance of construction materials when properly and adequately used as a component in these materials. As such, instead of being a waste that harms the environment, they can be turned into valuable materials for the construction industry assuring an efficient use of resources. As part of a bigger cooperation project with FLOGEN Technologies Inc. this paper gives the results of an investigation on the use of ferronickel slags from Ferronickel Company in Kosovo in several construction materials such as cement, asphalt, concrete, etc. The goal of the project is to determine the best recipes for the optimal use of the ferronickel slags in the construction materials in order to achieve their best physico-mechanical properties. Based on numerous laboratory analysis various mixture ratios of slag in the construction products have been studied followed by laboratory examination of the physical-mechanical properties of the corresponding mixtures. It was found that the use of ferronickel slag from Ferronickel Company can be beneficial to improve the mechanical and physical properties of all construction materials and at the same time protect the environment by turning a waste of metallurgical industry in a useful primary material for the construction industry.

SESSION: RecyclingThuAM-R4	5th Intl. Symp. on Sustainable Materials Recycling Processes and Products
Thu Oct, 26 2017	Room: Peninsula 4
Session Chairs: Francesca Pagnanelli; Rajendra Patil; Session Monitor: TBA

11:00: [RecyclingThuAM01]
[Solid and liquid wastes from industrial processes: Innovations in material recovery and environmental protection] Recycling of Lithium Ion Batteries: Mechanical and Hydrometallurgical Treatment Towards Zero-waste
Emanuela Moscardini¹ ; Pietro Altimari² ; Luigi Toro² ; Thomas Abo Atia² ; Francesca Pagnanelli³ ; Flavia Carla Dos Santos Martins Padoan³ ; ¹Sapienza University, Roma, Italy; ²Sapienza University, Rome, Italy; ³Sapienza University of Rome, Rome, Italy;
Paper Id: 330 [Abstract]

In this work, the overall process for the treatment of LIB was presented considering both the mechanical step for the recovery of black mass, and the hydrometallurgical route for the recovery of metals. Black mass, recovered with high yield and purity by shredding, sieving and milling, was fed to leaching reactor for dissolving all metals (Li, Mn, Co, Ni) giving a residue which can be recovered as pure graphite. Co can be recovered as salt or oxide after precipitation by pH increase for metal impurity separation, or after solvent extraction achieving commercial purity. After separation of sodium, Li can be recovered as carbonate.

11:30: [RecyclingThuAM02]
Water/Iron Powder as a Hydrogen Source in Olefin Hydrogenation
Rajendra Patil¹ ; Yoel Sasson² ; ¹Sandip University, Nashik, Maharashtra, India, Nashik, India; ²Hebrew University, Jerusalem, Israel, Jerusalem, Israel;
Paper Id: 235 [Abstract]

The hydrogenation of unsaturated compounds is a key technology in the chemical industry. The efficient catalytic reduction of water for generation of hydrogen is one of the most challenging transformations in chemistry. We continuously investigated the potential application of iron (commercial iron powder) to activate water as a terminal hydrogen source without any stoichiometric acid or base. Here in we are pleased to disclose the external-pressure-free and mild reaction protocol for reduction of alkenes using a cheap, non-hazardous, abundant, and eco-friendly ��water/iron�� pair as a hydrogen donor in the presence of a Pd/C catalyst (2.5 mol % w.r.t. substrate). Pd/C-catalyzed hydrogenation of olefins by using water as a hydrogen source in the presence of iron powder gave the corresponding reduction products in �� 96% yield (GC Yield). The formation of Fe3O4 as a byproduct was confirmed by XRD analysis.

SESSION: MineralMonAM-R5	Lotter International Symposium on Sustainable Mineral Processing (4th Intl. Symp. on Sustainable Mineral Processing: Principles, Technologies and Industrial Practice)
Mon Oct, 23 2017	Room: Peninsula 2
Session Chairs: Andrew Menzies; Shaun Graham; Session Monitor: TBA

11:00: [MineralMonAM01] Plenary
The Development and Business Value of Modern Process Mineralogy
Norman Lotter¹ ; ¹Flowsheets Metallurgical Consulting Incorporated, Sudbury, Canada;
Paper Id: 325 [Abstract]

The modern best practice of process mineralogy has developed over the last three decades into an effective business machine by integrating the disciplines of sampling, mineralogy and mineral processing to design and arrange a mineral processing flowsheet more optimally. Together with the advances made in mineralogical instrument design, leading to programmable automated platforms such as Quantitative Evaluation of Minerals by Scanning Electron Microscopy (QEMSCAN), or Mineral Liberation Analyser (MLA), supporting methodology in sampling based on the models of Pierre Gy, 1979, such as Statistical Benchmark Surveying, and in flotation testing such as High-Confidence Flotation Testing (HCFT), have greatly enhanced the ability of this integrated system to deliver sound, quantitative process implications for practical use to improve the performance of the mineral processing flowsheet. The selection and training of these teams has also proved to be a very influential factor in this outcome. It is the cross-training and interaction between these disciplines that delivers a synergy to the overall flowsheet development effort. Several case studies will be discussed, as well as the existing modern structure of the best practice.

11:30: [MineralMonAM02] Keynote
Automated Mineralogy and Elemental Mapping Using �XRF: Spatial Distribution of Au-Ag-Bearing Minerals in Epithermal Deposits
Andrew Menzies¹ ; Manon Gosselin² ; Max Patzschke³ ; Gertruida Gloy⁴ ; Samuel Scheller⁵ ; ¹Universidad Catolica del Norte, Antofagasta, Chile; ², BRIX, France; ³Bruker Nano, Berlin, Germany (Deutschland); ⁴Bruker, Brisbane, Australia; ⁵Bruker Nano GmbH, Berlin, Germany (Deutschland);
Paper Id: 162 [Abstract]

The capabilities of �XRF to analyze large rock samples without any significant sample preparation has opened up new areas of research and application in the field of applied mineralogy. In this case study, we present the results of the analysis of a range of specimens from Au-epithermal deposits in Chile and New Zealand using the Bruker M4 TornadoAMICS �XRF located at Universidad Catolica del Norte, Antofagasta, Chile. The results demonstrate the ability to detect and identify the presence of Au- or Ag- bearing mineralogy whilst maintaining spatial and textural relationship information. The specimens analyzed have a gold grade of between 20 and 100 ppm with known gold and silver mineralogy dominated by native gold, electrum and acanthite with the presence of lessor concentrations of other Ag-sulfosalts. Specimens range in size from 10 to 20 cm in maximum dimension. For each specimen, a rapid (30 - 60 minutes) coarse scan at 100 to 200 �m was used to identify areas of interest which were then subsequently analysed at a higher resolution (5 to 20 �m) for longer count times per pixel (20 to 100 ms). The results were clearly able to distinguish gold and/or silver rich areas within the various specimens and highlighted the diverse range of spatial and textural conditions under which such mineralogy is formed within the vein. For example, the Au- and Ag- bearing mineralogy was commonly associated with the presence of sulphide (chalcopyrite, sphalerite, and galena) rich zones, however, in contrast there are examples where the such mineralogy occurs in areas with no sulphide mineralisation. Continued detailed analyses will provide mineralogical and elemental information which can be interpreted within a real spatial context and thus providing additional information for understanding geological processes of formation and modelling, as well as metallurgical classifications for mineral processing.

12:00: [MineralMonAM03] Invited
Automated Mineralogy: The Past, Present and Future
Shaun Graham¹ ; ¹Carl Zeiss, Cambridge, United Kingdom (Great Britain);
Paper Id: 310 [Abstract]

Automated Mineralogy, and specifically the SEM-EDS-AM solutions available, have played vital roles in the development and application of modern process mineralogy. Since the initial development and introduction into the market, these technologies have contributed to optimizing mineral processing plants around the world. Despite their success and undisputed value, until recently the development of these solutions, in terms of the solutions methodology and analytical capabilities, has been limited. This talk aims to introduce and outline the history of these solutions with the view to providing an insight into the current state of play and new capabilities of the solutions within automated mineralogy. This will include modern trends and case studies that show these solutions are moving towards mine sites that utilize these newly ruggedized and deployable automated mineralogy solutions to adopt an operational mineralogy approach. This will act as the background, and as an introduction, to what future developments we can expect to see in automated mineralogy, and how these developments will be critical in providing reliable and routine on-site mineralogical analysis that will be required as mines of the future looks to adopt a Mining 4.0 capability. In addition, technological developments such as the use of machine learning and widening the analytical capability with 3D data and wider analytical instrumentation. These topics will be used to outline the future roadmap of AM and how these solutions will become strategically more valuable for 4.0 mining operations.

12:30: [MineralMonAM04]
Effect of Water Quality on Formation of Hydrogen Peroxide and its Behavior on Flotation
Alireza Javadi¹ ; ¹University of Kashan, kashan, Iran (Islamic Republic of Iran);
Paper Id: 281 [Abstract]

Water is one of the important parameters in flotation, and represents 80–85% of the volume of mineral pulp processed in flotation circuits. Our recent studies revealed that the ground sulphide minerals in contact with water generated H2O2, but its effect on the oxidation of pulp components, and hence in deteriorating the concentrate grade and recovery in flotation, has not been explored yet. In this study, effect of two types of water on formation of H2O2, an oxidizing agent stronger than oxygen, was investigated. It was shown that process water generated more H2O2 than tab water. This trend highlights the importance of understanding the mechanism of between process water and sulfide minerals on flotation.

SESSION: MineralMonPM-R5	Lotter International Symposium on Sustainable Mineral Processing (4th Intl. Symp. on Sustainable Mineral Processing: Principles, Technologies and Industrial Practice)
Mon Oct, 23 2017	Room: Peninsula 2
Session Chairs: John Starkey; Kristian Waters; Session Monitor: TBA

14:30: [MineralMonPM05] Plenary
Comminution Circuit Design � Using SAG Technology to Maximize Project Value
John Starkey¹ ; ¹Starkey & Associates Inc., Oakville, Canada;
Paper Id: 337 [Abstract]

Comminution circuits are historically one of the most difficult parts of a mineral processing plant to design with confidence. There is controversy in the industry as to how best to approach this subject, with many solutions requiring a level of training and expertise beyond the ability of a non-specialist engineer. This has led to a culture of experts who opine on the subject with little or no direct benefit to the design process and the plant operator. In order to change this, mineral industry owners and senior managers need to understand the fundamental challenges that a comminution circuit poses to the design process, to the operators who use the equipment, and to the owners who invest in a project. This presentation is intended to summarize these challenges in a manner which is clear and unbiased, in a format which is applicable and which offers creative and practical solutions to the mining and mineral engineering community. A proper understanding of SAG mill hardness measurement and workable operating options, reveals the rich benefits of SAG/AG milling technology which are available for every new or retrofit project.

15:00: [MineralMonAM06] Plenary
The Pre-Concentration of the Nechalacho Deposit: Selective Comminution
Kristian Waters¹ ; Christopher Marion² ; R. Li³ ; T. Grammatikopoulos³ ; ¹McGill University, Department of Mining and Materials Engineering, Montreal, Canada; ²McGill University, Montreal, Canada; ³, , ;
Paper Id: 184 [Abstract]

The Nechalacho deposit, located in the Northwest Territories, Canada, is a heavy rare earth element (REE) deposit. Of the various REE-bearing minerals in the deposit, zircon is of significant importance, due to its elevated heavy rare earth element (HREE) content. Previous studies investigating the use of gravity and magnetic separation in the processing of this ore showed that coarse particles following grinding were enriched in zircon, suggesting the potential for selective comminution. The current work investigates the possibility to selectively comminute gangue minerals and concentrate REE-bearing zircon into coarser size fractions. The ore was ground wet in a laboratory ball mill for various lengths of time (0, 10, 20, 30, and 40 min). The grind size which resulted in the greatest grinding characteristics (upgrading, recovery, liberation) for zircon was then processed by dense medium separation (DMS) to determine further upgrading could be achieved by gravity separation. ICP-MS was used to determine the distribution of zirconium and REEs, and QEMSCAN, to identify mineral phases, mineral liberation and the distribution of minerals for both the comminution study and the DMS test work.

15:30: [MineralMonAM07]
Comparison of Flotation of Cu-Ni Sulfide Ores Containing Different Non-magnetic/Magnetic Pyrrhotite Ratios
Ravinder Multani¹ ; Raymond Langlois¹ ; Kristian Waters² ; ¹McGill University, Montreal, Canada; ²McGill University, Department of Mining and Materials Engineering, Montreal, Canada;
Paper Id: 143 [Abstract]

The floatability of non-magnetic (Non-Mag) & magnetic (Mag) pyrrhotite (Po) in Cu-Ni sulfide ores (chalcopyrite-pentlandite) is an important area of research that is receiving more attention as concentrators seek to remove more Po from their final Ni concentrate. Based on both lab-scale and industrial data available in the current literature, it appears both Po polymorphs exhibit different flotation responses mainly due to their surface chemical differences, which is the result of their different crystal structures. This preliminary study summarizes the bench-scale Denver cell flotation results (coarse and fines: +38 and -38um, respectively) of three Cu-Ni sulfide ore bodies containing 30%, 50%, and 95% Non-Mag Po (balance being Mag Po). The main goals were to assess whether Po type had an impact on total Po recovery and pyrrhotite-pentlandite (Po-Pn) selectivity both in the coarse and fines fractions, +38 and -38um, respectively. For the three ores (all size fractions combined), the results indicate that Non-mag Po is much more floatable than Mag Po, increasing Non-Mag Po feed content increased total Po recovery, consequently, Pn selectivity was poorer against Non-mag Po than Mag Po. Comparing coarse (+38um) and fines (-38um), Po-Pn selectivity curves showed much poorer selectivity in the fines over coarse sizes (attributed to poor floatability of fine Pn). In the fines, the preliminary results showed that Non-mag Po was more floatable and that both polymorphs followed the trend of decreasing selectivity with increasing Mag Po feed content, this warrants further investigation with cyclosized fractions. For the coarse fraction, Pn selectivity against Non-mag Po was poorer than Mag Po. The findings from this study demonstrate that there are indeed quantifiable differences in the flotation responses of the polymorphs, which are primarily the result of their unique crystal structures and therefore different surface chemistries.

16:00: [MineralMonAM08] Invited
The Application of Recent Advances in Automated Mineralogy to Address Problems in Mineral Processing Flowsheet Optimization
Benjamin Tordoff¹ ; Shaun Graham² ; ¹Zeiss, Cambridge, United Kingdom (Great Britain); ²Carl Zeiss, Cambridge, United Kingdom (Great Britain);
Paper Id: 99 [Abstract]

Chemical assays have long been the benchmark technique to value prospects and mines from early stage exploration all the way through to metallurgical accounting. However, while the mines are looking at extracting metals, it is the minerals that dictate where the metals are located. This can also be extended to deleterious elements and problematic minerals for the processing circuit. Minerals, not elements, control processing behavior, therefore early and appropriate characterization in the mining lifecycle will add significant value to an operation. The potential for process mineralogy to play a major role in process improvement is well recognized but has historically been limited in its practical application due to issues including expense, long turn-around time and data complexity. Recent technological advances have started to change this, making such information accessible and usable by minerals engineers in the field or on site. Automated Mineralogy (AM) is one of the primary tools used in such work, and ZEISS MinSCAN is the first truly ruggedized system that can be deployed on site. Based on technology used by the military in field operations, the instrument is designed to operate in environments not typically associated with such tools and can provide data such as bulk mineralogy, element assay and deportment, liberation, and association rapidly and easily. Mine sites can now produce data, almost real time, to monitor the plant performance. There is also a growing demand to implement this solution at an earlier prefeasibility stage, to feed into geometallurigcal modeling to reduce risk in earlier prediction and decision. This data offers a common language and dataset that can be used by all stakeholders in the mine development from exploration geologists through to metallurgists. This paper outlines the technological innovations of the AM solutions, the ruggedized developments and how they can be successfully employed to mine site operations.

SESSION: MineralTueAM-R5	Lotter International Symposium on Sustainable Mineral Processing (4th Intl. Symp. on Sustainable Mineral Processing: Principles, Technologies and Industrial Practice)
Tue Oct, 24 2017	Room: Peninsula 2
Session Chairs: Emile Scheepers; Andrej Ivanič; Session Monitor: TBA

11:00: [MineralTueAM01] Keynote
A Future with Engineering Stone Made from Silica-Rich Iron Ore Tailings from Vale
Emile Scheepers¹ ; Alexandre Salomao De Andrade² ; Carlos Gontijo De F.³ ; ¹Vale SA, Etoy, Switzerland (Confederation of Helvetia); ²Vale SA, Belo Horisonte, Brazil; ³Vale Institute of Technology, Ouro Preto, Brazil;
Paper Id: 100 [Abstract]

Among the many initiatives being developed to recover and reuse mineral waste at Vale mining sites, the new business solution presented here uses silica-rich tailings as a substitute for primary silica to produce engineering stone products like kitchens countertop, bathroom vanities and floor tiles in a booming, multi-billion dollar industry. Engineering stone is an alternative to natural stone like granite. It is manufactured from approximately 93% primary silica, 7% resin, colour pigments and selected aesthetic additives, with the recipes varying depending on desired colour and aesthetic properties. Using primary (typically white) silica allows engineering stone manufactures to produce products with a wide colour range, so when used, residual (darker) iron ore in tailings can somewhat decrease colour control. Through innovative technological advances combined with a skilled and highly motivated workforce, Vale has been able to systematically improve separation efficiency of its concentration/beneficiation processes (primarily aimed at maximizing the recovery of iron ore). Fortuitous laws governing mass balances have ensured that increased recovery of iron ore in one stream has meant an associated increase in silica content of the other stream (tailings), in some strategic process streams as high as 90-96% SiO2. Such a systematic increase in the silica content (becoming whiter) has meant an increase in the colour control Vale silica-rich tailings can deliver the industry. Since 2014 Vale has been working closely with leaders in the engineering stone manufacturing industry to develop recipes. This collaboration is delivering engineering stone that not only meet EN 14617 industry standards for resistance to stain, strength and impact but also have colour ranges able to satisfy market needs.

11:30: [MineralTueAM02]
The Problem of Layer in the Tubes for the Vertical Transportation of Fly-Ash in the Stanterg Mine
Bajram Mustafa¹ ; Shyqri Kelmendi² ; Bekim Bajraktari³ ; Faton Kelmendi⁴ ; ¹Trepca Min.& Metall. Company;University of Prishtina, Mitrovica, Kosovo; ²Faculty of Geo-sciences and technology, Pristine University, Mitrovica, Kosovo; ³Trepca J.S.C., Mitrovica, Kosovo; ⁴Kosovo Government, Prishtina, Kosovo;
Paper Id: 177 [Abstract]

Trepca mine in Stantrg (Kosovo) is a lead, zinc and silver mine.This mine is using fly-ash as a back-fill material since 2010. This material is transported by special trucks from the lignite-fired power stations in central part of Kosova � Obiliq. As the discharged fly ash is a serious environmental problem, it was very important to use this material for back fill in the underground mines, although the considerable amount of ash is available to the cement producers in the region. Using fly ash in the underground mines as a hydraulic filling is very important to increase the safety of mining facilities and setting conditions for the working efficiency of the mining method. Although prior to the use of fly ash in the mines, there were a series of laboratory examinations and reviews on the physical model, after a certain period of time we face with the problem of the layer in the tubes for the vertical transport of the fly-ash. This layer becomes so thick that the tubes have been blocked and it was necessary to replace them. Replacing the tubes was an additional problem, both for the production and for the maintenance. In this paper is presented practical solution how to avoid creation of the layer in the tubes for the vertical transportation of fly-ash in the underground lead and zinc mines in Kosovo.

12:00: [MineralTueAM03]
Recovery Optimization in Mixed Gold Minerals at Cerro Corona Mine - Goldfields La Cima
Mireylly Araujo¹ ; ¹Goldfields, Lima, Peru;
Paper Id: 155 [Abstract]

This paper intends to find some alternatives to recover gold associated with oxide and sulphide ore by mixing its main component (copper sulfide) with oxide ores using for this purpose the metallurgical flotation process. The development of this research has evaluated samples of this type of ore content of 15%, 10% and 5% of oxidized ore. This way is to evaluate which of these allow us to obtain a higher gold recovery without damaging the copper grade and recovery thereof in the concentrate. To determine the mineralogical species, with which is associated the gold, and the degree of release of such species has made a study of optical microscopy of polished sections: Head, concentrate and tailings. At the end of the study better metallurgical performance 15g / t of a mixture of (formatexanthate + thionocarbamate) is obtained, achieving a 13% increase in the recovery of gold.

12:30: [MineralTueAM04] Invited
Experimental Study on Bond Properties between Hemp Fiber and Cement Mortar
Andrej Ivanič¹ ; Sebastian Toplak² ; Samo Lubej² ; ¹University of Maribor, Maribor, Slovenia; ²Faculty of civil engineering, transportational engineering and architecture, University of Maribor, Maribor, Slovenia;
Paper Id: 271 [Abstract]

Recently, several studies have been carried out on the reinforcement of cementitious building materials by plant fibers, which represent an important sustainable and eco-friendly material. Hemp fibers have long been valued for their high strength and long fiber length, and used extensively in the fabrication of ropes, sails and textiles. In this paper, the influence of embedded length on the bond properties between raw untreated hemp fiber and cement mortar was investigated. Tensile tests were carried out to examine the mechanical properties of hemp fibers. Based on the results of pull-out test the key parameters of interfacial bonding including maximum pull-out load, shear strength and toughness were evaluated. It was found that the pull-out resistance for experimental material system was controlled by strong frictional effects. Rough surface of untreated hemp fiber and possible accumulation of damage fibers within the interface seem to provide a mechanical barrier at the interface, leading to a significant increase in interfacial friction during the pull-out process. Based on the findings of present study, cement composites with enhanced toughness can be produced using hemp fibers as reinforcement.

SESSION: EnvironmentalWedAM-R5	6th Intl. Symp. on Environmental, Health, Policy, Legal, Management and Social Issues Related to Metals, Materials and Mineral Processing
Wed Oct, 25 2017	Room: Peninsula 2
Session Chairs: Ifije Ohiomah; Omeje Maxwell; Session Monitor: TBA

11:00: [EnvironmentalWedAM01]
Lean Manufacturing: A Case Study with Kanban System Implementation in Small and Medium Enterprise Manufacturing Companies in Nigeria
Ifije Ohiomah¹ ; Clinton Aigbavboa¹ ; ¹University of Johannesburg, Johannesburg, South Africa (zuid Afrika);
Paper Id: 12 [Abstract]

Lean Manufacturing is a very powerful productivity improvement tool, and there are several manufacturing strategies that aid Lean. In this study, the Kanban System is examined. Kanban system is a manufacturing strategy used to achieve lean production with reduced cost and minimal inventory. This study seeks to identify the factors hindering Nigerian small and medium enterprises from implementing Kanban. The study was carried out using primary data, which was obtained from the survey method. Companies who participated in this study are SME's. From the result of this study, the following were identified; Top Management commitment, Vendor Participation, Inventory Management and quality improvement are important for Kanban deployment and towards Lean manufacturing.

11:30: [EnvironmentalWedAM02] Keynote
Determination of 238U, 232Th and 40K in Selected Borehole Rock Samples in Abuja, Nigeria, using Neutron Activation Analysis and its Radiological Risk on Drillers
Omeje Maxwell¹ ; ¹Covenant University, Ota, Nigeria;
Paper Id: 209 [Abstract]

The inadequate access to public water supply in Abuja has forced more than 80 % of the population of about 5 million to drill private borehole. Drillers are not aware of rock radioactivity especially Abuja granitic rocks which varies with depth. The radioactivity of 238U and 232Th decay chains for the lithological rock samples could be at equilibrium considering the age as well as the isotopic mass proportion which is assumed to be equal to its natural isotopic. A new approach of using Neutron Activation Analysis (NAA) is adopted for this study with the aim of minimizing sample size as well as less counting rate to estimate the concentration in rock samples. Subsequently, the epithermal method for the decay chain of 238U was also used for 40K decay chain determination. The result was used to determine the radium equivalent index risk on drillers with a value of 400.63 Bqkg&#8210;1 which is higher than 370 Bqkg&#8210;1recommeded by the United Nations Scientific Committee on the Effects of Atomic Radiation (UNSCEAR) by a factor of 1.08. This value of 400.63 Bqkg&#8210;1 may pose hazard health risk on drillers with external hazard index of 1.1 which is higher than 1 recommended by UNSCEAR. The results of this analysis using NAA have indicated that the exposure level due to naturally occurring radionuclides was lower, but safety rules should be applied for the borehole drillers in Abuja and beyond.

12:00: [EnvironmentalWedAM03]
Radioactivity due to Major Oxide Compositions in Lithological Sequence Rocks of Abuja, North Central Nigeria
Omeje Maxwell¹ ; ¹Covenant University, Ota, Nigeria;
Paper Id: 210 [Abstract]

Radioactivity and major oxides investigations on lithological rock samples were studied using HPGe and XRF to understand the geological provenience on subsurface structures at Dei-Dei and Kubwa area of Abuja. The activity concentrations at Dei-Dei borehole varies from 18.5 � 1.7 to 37.1 � 3.6 Bq kg‒1, 44.6 � 4.1 to 97.4 � 8.1 Bq kg‒1 and 253.5 � 31.3 to 1195.6 �151.2 Bq kg‒1 for 238U, 232Th and 40K. Kubwa lithologic layers activity concentrations for 238U, 232Th and 40K ranges between 14.7 � 1.2 to 51.8 � 4.9 Bq kg‒, 32.5 � 4.1 to 85.3 � 8.1 Bq kg‒ and 118.9 � 15.7 to 751.2 � 93.9 Bq kg‒1. XRF results revealed that the increase in of 232Th activity decreases the activity of 238U in the presence of SiO2, CaO, Al2O3, Na2O, and K2O. This study provides useful information on the lithology radioactivity and for radiological mapping of the basement coastal pollution

12:30: [EnvironmentalWedAM04]
Supply Chain Risk and Resilience: A Practical Perspective
Mahour Parast¹ ; ¹NC A&T State University, Greensboro, United States;
Paper Id: 350 [Abstract]

This presentation will provide an overview of the principles and antecedents of supply chain resilience. The presenter will share the relevant empirical and practical insights into supply chain risk and resilience. In addition, the findings of research in supply chain resilience and innovation will be discussed, as well as best practices for improving resilience for the firms in process industries.Topics include: enterprise and supply chain risk and resilience management; key dimensions of resilience; disruptions- relicense relationship; resilience for large vs. small firms; best practices in relicense in the chemical industry.

SESSION: EnvironmentalWedPM-R5	6th Intl. Symp. on Environmental, Health, Policy, Legal, Management and Social Issues Related to Metals, Materials and Mineral Processing
Wed Oct, 25 2017	Room: Peninsula 2
Session Chairs: Flavio Aristone; Mahour Parast; Session Monitor: TBA

14:30: [EnvironmentalWedPM05] Keynote
Technological Innovation in Industrial Bio-Materials
Mahour Parast¹ ; ¹NC A&T State University, Greensboro, United States;
Paper Id: 349 [Abstract]

This is an interactive workshop on technological innovation in industrial bio-materials. The workshop provides an overview of the relatively unstructured process of technological innovation and entrepreneurship that are needed to translate new knowledge and inventions into marketable products and services. The workshop will review the fundamentals of the process of technological innovation based on the National Science Foundation (NSF) Innovation Corporation (I-Corps) model. The workshop reviews both the theoretical and practical aspects of the process of technological innovation, which is concerned with how to make the transition from an innovative idea, a product or a service to a company that serves customer needs. A case study will be presented to discuss the process of technological entrepreneurship and commercialization of the bio-adhesive technology. An interactive discussion with the attendees will be conducted to take them through developing their business model. Audience: The workshop will benefit individuals who are involved in knowledge-based and technology-based innovations; those who are interested in learning about the process of innovation would greatly benefit from the workshop. The workshop would be of outmost interest to those who are involved in research and practice of innovation at both the public and private organizations. Most importantly, the workshop is suitable for researchers, professionals, and managers in industrial bio-based technologies or other industries who have developed a product in the lab, and plan to commercialize it. Topics/Content: The workshop covers the process of technological innovation, known as the Lean Launchpad implemented in the NSF I-Corps model. The tentative topics include: 1: Intro, Business Models, Customer Development 2: Value Proposition 3: Customers segments 4: Channels 5: Customer Relationships 6: Revenue Model 7: Partners 8: Resources, activities, and costs 8: Cases and Best Practices Learning Outcomes: As part of the workshop, each attendee will develop a customized business plan canvas to �Create a business plan to translate their innovation from the lab to the market �Recognize the steps needed to take in the entrepreneurship process �Identify behaviors and skills, resources then need in the process of technological innovation �Conduct market analysis, market segmentation �Develop competitive and comparative advantage analysis �Understand the importance of attention to both experimentation and exploitation �Examine the role of customer discovery and understating the market needs �Demonstrate the ability to find an attractive market that can be reached economically �Create an appropriate business model �Assess the commercial viability of a new technology or an innovation �Develop the ability of transforming research based ideas into feasibility study

15:00: [EnvironmentalWedAM06]
Transforming Potential in Reality: The Case of Brazilian Macaw Palm
Flavio Aristone¹ ; ¹UFMS, Campo Grande, MS - Brazil, Brazil;
Paper Id: 232 [Abstract]

Brazilian macaw palm is a typical abundant tree spread almost all over South America. Theirs fruits are a sort of small coco much appreciated particularly by kids, as its pulp is sweet and pleasant to chew. Even the amount of the natural production for this palm tree is quite impressive. These fruits can be entirely used for the noblest purposes, which are the manufacture of human food products. The pulp of macaw palm fruits are plenty of Vitamin A precursor and the inside nut has Omegas 3 and 6 oils. Both palm tree and fruit are locally named as �bocaiuva� and despite all scientific already proved knowledge, the usage of these palm trees was dramatically dropping in the past. In order to recover a cultural behavior, we started a project back in 2004 devoted to visiting small isolated communities in the Brazilian Pantanal wetland region, and teaching people how to prepare a dehydrated product from the pulp of these fruits that is similar to a regular flour. The responses received at that time exceeded our expectations, and we decided to carry on new similar projects. Today, there are concrete results to be mentioned: a few industries to process �bocaiuva� are already installed in the country and new ones are in process. The bocaiuva subject is currently largely explored at many universities and research centers. New potential applications are being constantly discovered in the area of food processing and products, cosmetics, animal feeding, and even pharmaceutical products. All these processes started from a complete sustainable project that aimed to rescue a vanishing cultural behavior, that would at the same time give opportunity for those involved to generated earnings simply by respecting the environment, as the bocaiuva fruits were to be collected in total balance with nature. These origins naturally required that the new companies arriving to commercially explore the macaw palm have a framework of environment protection at the very beginning, making the projects more environmentally friendly. Large areas of macaw palm are being planned, and some are already installed or in process of implementation, all in the state-of-art concept of crops consortium.

SESSION: AdvancedMaterialsMonAM-R6	Marquis International Symposium on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development(3rd Intl Symp. on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development)
Mon Oct, 23 2017	Room: Condesa IA
Session Chairs: Jan Seidel; S. Ravi P. Silva; Session Monitor: TBA

11:00: [AdvancedMaterialsMonAM01] Plenary
Carbon Electronics for the 21st Century
S. Ravi P. Silva¹ ; ¹University of Surrey, Guildford, United Kingdom (Great Britain);
Paper Id: 204 [Abstract]

Carbon as a material can have many faces and phases! It can bond to itself, and other elements, creating a plethora of material types. This allows structures based on this material to have different personalities, or even split-personalities. The ability to functionalize and solubilize carbons lends further versatility to this material system and allows for the development of multi-functional platforms. A better understanding of the synthesis, particularly over large areas, has enabled bottom-up design of nano-carbon films, from self-assembled structures to designer arrays. Coupled with the discoveries of fullerenes, nanotubes and graphene, this has led to a renaissance in the study of carbon as an electronic material. Within this talk, we will develop two themes based on the scale-up of nano-dimension structures to form large area material platforms. We will first discuss how large area low-temperature growth of nano-carbons, including carbon nanotubes, can be applied to CMOS-type electronic applications, and how this technology can be further extended to the wonder material of the 21st century, graphene. A novel photo-thermal chemical vapor deposition (PT-CVD) route for the CVD growth of nano-carbons, including CNT and graphene, will be discussed. Further, we examine how different allotropes of nano-carbons can be combined to produce large area, solution processable �inorganics-in-organics� hybrids that are key to 4th Generation (4G) solar cell devices. The electrical versatility and structural integrity of hybrid nano-carbons allow a new generation of multi-functional materials to be designed with light-matter interactions and large area electronic backplanes for sustainable technologies. The potential for future nano-carbon based electronic devices are numerous and significant, but so too are the technical and engineering challenges that need to be overcome. It needs multi-disciplinary teams of scientists and engineers to realize the full potential of this unique material and find solutions to the grand challenges of humanity.

11:30: [AdvancedMaterialsMonAM02] Keynote
Domain Walls as Nanoscale Functional Elements
Jan Seidel¹ ; ¹UNSW Sydney, Sydney, Australia;
Paper Id: 170 [Abstract]

Topological structures in functional materials, such as domain walls and skyrmions, see increased attention due to their special properties that can be completely different from that of the parent bulk material. I will discuss recent results on ferroelectric and multiferroic domain walls using SPM, TEM and ab-initio theory, and discuss future prospects for research and applications.

12:00: [AdvancedMaterialsMonAM03]
Effect of Heat Treatment Paths on the Microstructure and Mechanical Properties of High Cr Containing Ultrahigh Strength Steels
G.bae Park¹ ; Yunik Kwon¹ ; K.h. Kwon² ; Nack Kim¹ ; ¹POSTECH, Pohang, Korea (Republic of [South] Korea); ²RIST, Pohang, Korea (Republic of [South] Korea);
Paper Id: 112 [Abstract]

Ultrahigh-strength steels are needed in many demanding applications including aircraft landing gears. For such applications, the steels should have high strength, high fracture toughness, and high-stress corrosion cracking resistance. However, most of the commercial alloys such as 4340, 300M, and AerMet100 generally have poor corrosion resistance and require the use of cadmium coating to prevent corrosion, which raises serious problem during maintenance. For the steels to have excellent corrosion resistance, a fairly large amount of Cr is needed in the alloy composition. However, high Cr content in the steels can cause serious problems such as degraded fracture toughness and corrosion resistance due to a possible formation of Cr-containing particles along grain boundaries. In the present study, Fe-Cr-0.2C steels with other additional alloying elements have been subjected to various heat treatment paths such as quenching and tempering (Q&T), quenching and partitioning (Q&P), and austempering. The microstructure has been analyzed by detailed TEM studies and correlated with mechanical properties including stress corrosion cracking resistance for a selected steel.

12:30: [AdvancedMaterialsMonAM04] Keynote
Advanced Methods and their Integration in Superior Biofuel Production
Tunde Kocsis¹ ; Maria Szilagyi² ; Laszlo Kotai³ ; ¹Hungarian Academy of Science, Budapest, Hungary; ²Deuton-X Ltd, Erd, Hungary; ³Research Centre for Natural Sciences, Hungarian Academy of Sciences, Budapest, Hungary;
Paper Id: 147 [Abstract]

Integration of a continuous acetone-butanol-ethanol (ABE) extractive fermentation technology and a phase-transfer room temperature continuous biodiesel production with the utilization of intermediates and by-products without costly processing and purification steps gives a sustainable, superior fuel production system based on non-food agricultural resources. The production line contains energy-producing waste processing (biogas and combustion) units involving a biomass ash processing line to prepare fertilizers ensures biomass production sustainability. The biodiesel production with using ABE alcohols in the presence of phase-transfer catalysts at room temperature is carried out with minimal soap formation. The butanol containing anhydrous glycerol waste can be transformed into acetal mixtures with oxo-components from the oxidation of ABE alcohols or processing of waste glycerol. The formed materials have lower oxygen content as glycerol and can be used as unseparated mixtures in fuels as a blend to decrease the viscosity and pouring point. The energy consuming steps is partly covered with biogas/combustion units energy utilizes the non-processed parts of the raw materials. The biomass ash formed contains all minerals were uptaken by the plants from the soil and are recycled with using a new technology based on the miscibility of the ash with concentrated sulfuric acid without any reaction, then the formed mixture is contacted with water in a closed system when carbon dioxide is liberated, and pressure evolves. The small bubbles formed in the mass will be opened and forms channels to the surface during depressurization. A porous solid material is formed, which can absorb liquids, e.g. fertilizer solutions contain controlled form and amount of materials needs for the plants. Filling these pores with ammonium nitrate solutions, a hardly soluble ammonium-compound form which releases only if water is present in the soil.

SESSION: AdvancedMaterialsMonPM-R6	Marquis International Symposium on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development(3rd Intl Symp. on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development)
Mon Oct, 23 2017	Room: Condesa IA
Session Chairs: Yunik Kwon; Nack Kim; Session Monitor: TBA

14:30: [AdvancedMaterialsMonPM05] Keynote
High Specific Strength Alloys for Sustainable Society
Nack Kim¹ ; ¹POSTECH, Pohang, Korea (Republic of [South] Korea);
Paper Id: 107 [Abstract]

The world currently faces significant challenges in energy conservation and environmental protection. Materials and their manufacturing processes have a pivotal and ubiquitous impact on meeting these global challenges. Among various end-use sectors of energy, the transportation sector is the second in energy consumption and the first in the energy-related CO2 emissions. Therefore, there exists a strong need for the significant improvement in fuel economy and reduction in pollutants emissions of the transportation systems. One of the most effective ways to overcome such problems associated with transportation systems is the use of high strength, lightweight alloys, i.e., high specific-strength alloys, as structural components of vehicles. High specific strength alloys are also important for improving the efficiency of hybrid-type vehicles because they offset the weight of power systems such as batteries and electric motors. This presentation discusses the recent progress in the development of high specific strength alloys, with particular examples on newly developed lightweight steels and Mg alloys.

15:00: [AdvancedMaterialsMonAM06]
Development of Precipitation Hardened Austenitic High Mn Steels for Automotive Applications
Yunik Kwon¹ ; Nack Kim¹ ; ¹POSTECH, Pohang, Korea (Republic of [South] Korea);
Paper Id: 109 [Abstract]

Recently, there has been a great interest in high strength steels that can improve the performance of automobiles by reducing the fuel consumption and the emission of exhaust gasses. Austenitic high Mn steels usually show high work hardening rate and accordingly excellent combination of ultimate tensile strength and ductility that are suitable for automotive applications. However, in spite of such excellent tensile properties, these austenitic high Mn steels usually show low yield strength as compared to other conventional ferritic high strength steels. Therefore, there is a great need for improving yield strength of austenitic high Mn steels without sacrificing other properties. In the present study, an attempt has been made to improve yield strength by utilizing precipitation hardening as well as grain refinement. Among the possible alloying elements that can induce the precipitation of carbides, V was chosen since it has a relatively large solubility in austenite at high temperatures. The model alloys containing various amounts of Mn, C, and V were fabricated and their microstructure and tensile properties were evaluated after annealing of cold rolled sheets. It shows that the cooling rate after annealing as well as alloy composition have a large effect on precipitation behavior of carbides and accordingly tensile properties. Details of microstructural evolution in these alloys have been investigated by EBSD, SEM, TEM, and 3DAP and correlated with tensile properties.

15:30: [AdvancedMaterialsMonAM07]
Effect of Deformation Twins on Recrystallization Behavior of Magnesium Alloy Sheets
Jae H. Kim¹ ; Byeong-chan Suh² ; Ji Hyun Hwang³ ; Myeong-shik Shim¹ ; Nack Kim¹ ; ¹POSTECH, Pohang, Korea (Republic of [South] Korea); ²NIMS, Tsukuba, Japan; ³Pohang University of Science and Technology, Pohang, Korea (Republic of [South] Korea);
Paper Id: 110 [Abstract]

In recent years, there has been a great interest in the weight reduction of automobiles for energy conservation and environmental protection. One of the most effective ways to reduce the weight of vehicles is the use of lightweight materials such as Mg alloys as structural components in vehicles. Mg alloys have the lowest density among commercially available structural alloys and recent studies have shown that some Mg alloys have good mechanical properties comparable to those of Al alloys. However, Mg alloys have a critical shortcoming that needs to be overcome, poor formability at room temperature mainly originated from strong basal texture developed during thermomechanical processing. Although several Mg alloys show random/weak texture and accordingly good room temperature formability, most of such alloys rely on the usage of expensive rare earth elements. In the present work, an attempt has been made to modify the texture of Mg alloys by utilizing deformation twins as nuclei for recrystallization. The main impetus for such approach comes from the idea that various deformation twins formed in Mg alloys have different orientation relationship with the matrix and accordingly can induce the formation of recrystallized grains with different orientations. The orientation relationship between parent grain, deformation twins, and recrystallized grains has been analyzed by ex-situ heating EBSD in both as-rolled and annealed conditions to understand how deformation twins affect the orientation of recrystallized grains.

16:00: [AdvancedMaterialsMonAM08]
Shock-Assisted Liquid-Phase Consolidation of SHS-Processed Ta-Al Based Composites.
Akaki Peikrishvili¹ ; Laszlo Keckes² ; George Tavadze³ ; Bagrat Godibadze⁴ ; ¹F. Tavadze Institute of Metallurgy and Materials Science, Tbilisi, Georgia; ²Us Army Research laboratory, Aberdeen, United States; ³Ferdinand Tavadze Institute of Metallurgy and Materials Science, Tbilisi, Georgia; ⁴Tsulukidze Mining Institute, Tbilisi, Georgia;
Paper Id: 176 [Abstract]

The main purpose of the work presented herein is to combine hot explosive consolidation technology (HEC) with Self-Propagating High-Temperature Syntheses processes (SHS) to obtain Ta-Al and Nb-Al based cylindrical billets with low porosity and improved physical and mechanical properties. In the first stage of the investigation, we carried out the explosive consolidation of powders at room temperatures to obtain billets with increasing density without cracks and activated surfaces of consolidated particles. In the second stage of the investigation we repeated the same experiments, however, the consolidation was conducted at hot conditions above and below the SHS reaction temperatures of the composite materials. The loading intensity was under 10GPa. The heating temperature was up to 950oC. The heating time before loading was under 30 minutes. Our investigation showed that the initiation of SHS process and a complete reaction in the Ta-Al powder composites starts at 940oC. In order to fabricate billets at or near the theoretical density with a near-perfect structure and correct cylindrical geometry, it was necessary to load the billets prior to reaching 940oC. Consolidation of the billets above 940oC led to cracking throughout the entire volume of the HEC billet. The application of B4C additives and the HEC of Ta-Al-B4C composites led to the dissolution of the B4C phase, and the formation of TaB, AlCTa2, and TaAl3 phases behind the shock wave front. A reduction of the HEC temperature in the consolidation of Ta(Nb)-Al precursors at 600oC provided only a partial reaction between the precursors the formation of aluminate phases on the surrounding surfaces of the Ta(Nb) particles; this was observed in the entire volume of the HEC billets. The type of intermetallic compounds was found to depend on the percentage of the various precursor phases in the starting composition. The aforementioned observations, other features of the structure-property-processing relationships for the consolidated Ta-Al and Nb-Al based composites, depending on the loading conditions used, and the set-up and operation of the HEC device will be presented and discussed.

SESSION: AdvancedMaterialsTueAM-R6	Marquis International Symposium on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development(3rd Intl Symp. on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development)
Tue Oct, 24 2017	Room: Condesa IA
Session Chairs: Yail Jimmy Kim; Sandra E. Rodil; Session Monitor: TBA

11:00: [AdvancedMaterialsTueAM01] Keynote
Sustainable Development of Advanced Composite Materials for Infrastructure Rehabilitation
Yail Jimmy Kim¹ ; ¹University of Colorado Denver, Denver, United States;
Paper Id: 126 [Abstract]

The objective of the research is to understand the behavior of bridge girders upgraded with post-tensioned near-surface-mounted (NSM) carbon fiber reinforced polymer (CFRP) composites using a novel strengthening method, leading to the world's first field application of its kind. Numerical modeling is conducted to conceptually examine the performance of bridge girders with post-tensioned NSM CFRP in terms of flexural responses, strengthening configurations, and functionality. The feasibility of the proposed method is examined through a laboratory-scale test with an emphasis on anchorage installation, capacity improvement, and interfacial bond. All technical findings are integrated into the rehabilitation of a 40-year-old reinforced concrete girder bridge (L = 50 m, four spans).

11:30: [AdvancedMaterialsTueAM02] Keynote
Bioactive Amorphous Metal Oxide Nanocoatings
Sandra E. Rodil¹ ; Phaedra Silva Bermudez² ; Argelia Almaguer Flores³ ; Rene Olivares Navarrete⁴ ; ¹Instituto de Investigaciones en Materiales, Universidad nacional Aut�noma de M�xico, COYOACAN, Mexico; ²Instituto Nacional de Rehabilitacion, Ciudad de Mexico, Mexico; ³Facultad de Odontologia, Division de Estudios de Posgrado e Investigacion, Universidad Nacional Autonoma de Mexico, Ciudad de Mexico, Mexico; ⁴Department of Biomedical Engineering, Virginia Commonwealth University, Richmond, United States;
Paper Id: 169 [Abstract]

Orthopaedic and dental implant durability is dependent on successful bone regeneration and osseointegration. Several studies have demonstrated that the implant surface properties like roughness, chemistry, and energy have a significant influence on the biological systems affecting protein adsorption, cell proliferation, differentiation, local factor production and consequently, bone growth and clinical osseointegration. However, very few have provided information about the effect of the atomic arrangement or structure. Using magnetron sputtering deposition, we produced amorphous and polycrystalline TiO2 and ZrO2 coatings. Thin (70-80 nm) oxide coatings were deposited on smooth (PT) and microstructured sandblasted/acid etched (SLA) Ti substrates. The effect of the atomic structure of the oxide coatings on the physico-chemical surface properties was carefully analyzed. The surface roughness, water contact angle (WCA), structure and composition were measured using confocal microscopy, drop sessile drop, X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS), respectively. XRD confirmed the crystalline or amorphous nature of the films. The nanometer thick coatings presented a well-passivated and uniform TiO2 (Ti4+) and ZrO2 (Zr4+) surface composition, while the substrates (native oxide layer) showed the presence of Ti atoms in lower valence states. The thin films did not alter submicron/micron topography but generated 5-10 nm structures across the surface. Our findings demonstrated that the nano-topography and the surface energy are significantly influenced by the coating structure. The biological response of these coatings was analyzed at different strategic levels: protein adsorption (Albumin), bacterial adhesion and finally, the proliferation and differentiation of human mesenchymal stem cells (MSCs). Two pathogen bacterial strains were tested; Escherichia coli and Staphylococcus aureus. Bacterial adhesion at micro-rough (2.6 �m) SLA surfaces was independent of the surface composition and structure, contrary to the observation in sub-micron (0.5 �m) PT surfaces, where the crystalline oxide (TiO2 > ZrO2) surfaces got the larger amount of bacteria. Particularly, crystalline TiO2, which presented a predominant acid nature, was more attractive for the adhesion of the negatively charged bacteria. Human MSCs were cultured on coated and uncoated titanium surfaces for seven days. Osteoblastic markers (RUNX2 mRNA, alkaline phosphatase activity in cell lysates, and secreted osteocalcin) and related growth factors [secreted vascular endothelial growth factor (VEGF), bone morphogenetic protein 2 (BMP2) and osteoprotegerin (OPG)] were assessed. MSC attachment was higher on both amorphous oxide coatings than on their polycrystalline counterparts or titanium itself; an effect more robust on microstructured SLA surfaces. Cell number, ALP, OCN, OPG, BMP2, and VEGF levels were higher on amorphous than polycrystalline coatings or pure titanium. These results indicated that the HMSCs showed larger differentiation into osteoblasts on the nanoscale amorphous oxide coatings in comparison to the polycrystalline coatings or the native titanium oxide layer. The information provided by this study, where surface modifications are introduced by means of the deposition of amorphous oxide coatings, provides a route for the rational design of implant surfaces to inhibit bacterial adhesion and enhanced the osteoblastic differentiation of HMSCs.

12:00: [AdvancedMaterialsTueAM03] Invited
Two Stage Pyrolysis/Gasification of Solid Waste for Tar Free High Hydrogen Content Syngas Production
Juma Haydary¹ ; Patrik �uhaj² ; ¹Institute of Chemical and Environmental Engineering, Slovak University of Technology, Bratislava, Slovakia (Slovak Republic); ²Department of Chemical and Environmental Engineering, Slovak University of Technology, Bratislava, Slovakia (Slovak Republic);
Paper Id: 275 [Abstract]

Organic solid waste, such as municipal solid waste, waste biomass, and industrial solid waste represent not only a major environmental concern but also a large source of renewable energy and chemicals. Thermo-catalytic cracking processes such as pyrolysis and gasification have great potential to convert solid waste to useful chemicals and energy, and they are preferred to combustion. However, gasification is a complex process that requires temperatures above 600°C and can be carried out in a variety of reactor types and process conditions. Although much attention has been devoted to gasification in recent years, there are still a number of challenges to full commercialization of solid waste gasification. Heterogeneity of raw materials, gas tar content and reduced efficiency are the main technical challenges. This work deals with two stage pyrolysis/gasification of heterogenic solid waste. The process can be realized in a single compact plant or in a distanced pyrolysis network with a central gasification plant. Different configurations of two stage pyrolysis/gasification systems with great potential of producing tar free, high hydrogen content syngas from different types of hydrogenous solid waste are presented. Results of raw materials characterization by thermogravimetric (TGA) analysis, differential scanning calorimetry (DSC), elemental analysis and bomb calorimetry are discussed. Samples of MSW and waste biomass have been subject of an experimental study in a laboratory scale pyrolysis/catalytic gasification system. Gas composition and tar content of gas were observed under different process conditions. In a theoretical study, conceptual design of a pyrolysis network with a central gasification plant was done. The model provides material and energy balances of all units, phase and chemical equilibrium calculations as well as parametric sensitivity analysis of the units. Laboratory scale experiments and process computer modeling indicate that two stage pyrolysis/gasification processes can provide solutions to many technical challenges that solid waste gasification is facing.

12:30: [AdvancedMaterialsTueAM04] Invited
The Properties and Microstructure Evolution of Cast Austenite Stainless Steel under Thermal Aging
Fei Xue¹ ; Xiao Jin¹ ; Xiangbing Liu¹ ; Xitao Wang² ; ¹Suzhou Nuclear Power Research Institute, Suzhou, China; ²University of Science and Technology Beijing, Beijing, China;
Paper Id: 142 [Abstract]

In this paper, cast austenite duplex stainless steel from main circulating pipe are aged at 400°C for different times, the properties are studied during aging, and the mechanism of material is investigated by microstructure evolution characterization at same aging time. The results show the tensile strength increased nearly 12%, reduction of area decreased nearly 21%, and impact ductility decreased nearly 50%. The reason lies in the ferrite phase becoming weak and harmful to mechanical properties after aging. Transmission electron microscope (TEM) and three dimensional atom probe (3DAP) are used to study the microstructure evolution during aging, effect of aging on duplex stainless steel by spinodal decomposition in ferrite phase, Cr-rich phase formed from Cr-rich segregated region by the concentration of Cr atoms in it after being aged 3000h, and the size of Cr-rich phase between 5-10nm, and then, the difficulty of increased slipping in dislocation and aggregated dislocations, resulting in the local stress concentration around the Cr-rich phase. The phenomenon of spinodal decomposition is that as the aging time and content of Cr in Cr-rich cluster increases, the more stress is required during the deformation, which causes higher level of stress triaxiality ratio; with this focus, dislocations get across the Cr-rich phase, which disperses in ferrite phase and slipping, the plastic deformation is more easily reached, and leads to the decreased of ductility.

SESSION: AdvancedMaterialsTuePM-R6	Marquis International Symposium on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development(3rd Intl Symp. on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development)
Tue Oct, 24 2017	Room: Condesa IA
Session Chairs: Zhenhai Xia; Takumi Chikada; Session Monitor: TBA

14:30: [AdvancedMaterialsTuePM05] Keynote
Bioinspired Micromanipulation Design based on Gecko Self-cleaning
Yiyang Wan¹ ; Zhenhai Xia¹ ; ¹University of North Texas, Denton, United States;
Paper Id: 214 [Abstract]

Geckos have the extraordinary ability to keep their sticky feet from fouling while running on dusty walls and ceilings. Understanding gecko adhesion and self-cleaning mechanisms is essential for elucidating animal behaviors and rationally designing gecko-inspired devices. We report a unique self-cleaning mechanism possessed by the nano-pads of gecko spatulae in both dry and wet conditions. This study has provided direct evidence that the unique shape of nanoscale spatula pads plays a crucial role in generating robust and stable adhesion while permitting efficient self-cleaning capabilities in dynamic regimes. Inspired by this natural design, we have fabricated micro/nano-pad-terminated artificial spatulae and micromanipulators that show similar effects, and that provide a new way to manipulate microparticles in dry and aqueous environments. By simply tuning the pull-off velocity, our gecko-inspired micromanipulators, made of synthetic microfibers with graphene-decorated micro-pads, can easily pick up, transport, and drop off microparticles for precise assembling. This work should open the door to the development of novel highly-efficient biomimetic self-cleaning adhesives, smart surfaces, MEMS, tunable micro/nano-manipulators, biomedical devices, and more.

15:00: [AdvancedMaterialsTueAM06] Keynote
Potential of smart coating for advanced energy systems
Takumi Chikada¹ ; ¹Shizuoka University, Shizuoka, Japan;
Paper Id: 228 [Abstract]

Hydrogen isotopes are promising energy media in advanced energy systems. Chemical energy of hydrogen is extracted via fuel cells in hydrogen energy systems, and nuclear energy of hydrogen isotopes deuterium and tritium is harnessed in fusion reactors. One of issues in the usage of hydrogen is interactions with materials. Hydrogen can dissolve in most metals with forming metal hydrides, leading to a degradation of mechanical properties of metal structural materials, as it is called hydrogen embrittlement. Moreover, hydrogen can permeate through metals fastest of all elements at elevated temperature due to its smallest size, resulting in a crucial fuel loss and radiological hazard in the case of tritium. Another concern is corrosion and erosion of structural materials by high-temperature liquid fluids such as supercritial water and carbon dioxide, liquid metals, and molten salts. In the fusion reactors, radiation and thermal durability are also required. A promising solution to reduce degradation of structural materials and fuel efficiency without major change of plant design is to form a smart coating which satisfies required functions depending on the system. Our efforts have been dedicated to investigating hydrogen isotope permeation behaviors in tritium permeation barriers with high chemical stability using erbium oxide and yttrium oxide coatings for a decade. The hydrogen isotope permeation mechanism was elucidated, leading to the world's highest permeation reduction factor (100000) at elevated temperature. The development of coating process toward plant-scale fabrication has also progressed using liquid phase methods. A ceramic-metal multilayer structure has opened the possibility to allocate multiple functions to each layer. Moreover, recent achievements using accelerated heavy ions and a ��-ray source revealed that the coating mitigated irradiation effects on hydrogen isotope permeation. In this presentation, potential and current challenges for the research and development of the smart coating are introduced.

15:30: [AdvancedMaterialsTueAM07] Invited
Research and Development of Continuous Casting Process of Ni-based Corrosion Resistant Alloy with Compound Electromagnetic Fields
Engang Wang¹ ; ¹Northeastern University, Shenyang, China;
Paper Id: 293 [Abstract]

Ni-based corrosion resistant alloy is widely used in the oil industry and nuclear energy due to its good performances on high temperature resistant and corrosion resistant. However, the Ni-based corrosion resistant alloy is generally fabricated by casting ingots, which has some disadvantages of high energy consuming, severe quality defects, low production efficient, etc. The continuous casting technique to produce Ni-based corrosion resistant alloy has become the front technique, which increases the production rate and reduces the product cost. In this paper, a new continuous casting process of Ni-based corrosion resistant alloy is developed with compound electromagnetic fields. One of the electromagnetic field is set on the mould near the melt surface to improve the surface quality of billets such as depth oscillation marks and surface cracks. The another electromagnetic field is set on the secondary cooling zone to improve the internal quality of billets such as large grain size, the severe segregation of element, centerline shrinkage and internal cracks. The aim of research is to develop a sustainable industrial processing for the fabrication of Ni-based corrosion resistant alloy. In this paper, the Incoloy800H alloy billet was successfully fabricated in pilot continuous casting machine with compound electromagnetic fields (EMCC). With the effect of high frequency electromagnetic field, not only the oscillation marks but also the depression and the cracks on the billet surface were disappeared, the surface quality of Ni-based alloy billets was significantly improved. The oscillation mark depth decreased from 0.75 mm (without electromagnetic field) to 0.18 mm (with electromagnetic field). Meanwhile, with the effect of lower frequency electromagnetic stirring (EMS), the equiaxed grain ratio of billet increase to 41.45%, the grain size and dendrite segregation of element was reduced. The internal quality of Ni-based alloy billets was also significantly improved. The distribution of TiN inclusions in the billet was also discussed with the compound EMCC process.

16:00: [AdvancedMaterialsTueAM08]
Process of Chemical Stabilization and Mechanical Improvement of Slag through CO2 Capture
Erivelto Souza¹ ; Orimar Reis² ; Higor Coelho¹ ; Leandro Duarte¹ ; Tales Oliveira¹ ; Denise Pereira³ ; Walinton Sousa¹ ; Reimar Lourenco¹ ; ¹Universidade Federal de Sao Joao Del-Rei, Ouro Branco, Brazil; ²Instituto Federal de Minas Gerais, Ouro Preto, Brazil; ³UNIPAC - Conselheiro Lafaiete, Conselheiro Lafaiete, Brazil;
Paper Id: 115 [Abstract]

Metallurgy is one of the most important sciences developed by mankind, the steel industry is, in turn, the most important technique practiced within metallurgy. In order to produce the steel, for a long time, the objective products were generated, but also the process residues, which were discarded succinctly. With the evolution of the recycling processes, several of these residual materials became commercial use, as is the case of blast furnace slag. However, slags from steel mill processes, because of their high free CaO content, still had direct use restrictions. What is proposed here is a process that treats steel slag through a recomposition of this free CaO, leading it to become a calcium carbonate. Blast furnace slag is used for various processes where its chemical stability and mechanical strength is critical. The steel slag presents chemical instability, because, due to its high degree of hydration, this slag undergoes expansion and becomes mechanically weak, by the transformation of free CaO into Ca(OH)2. By means of this change the slag happens to present a better mechanical property, and no longer becomes susceptible to expansion by hydration. Associated with this advantage is the fact that each ton of processed slag allows to recover, on average, 136 kg of CO2 of the gases generated by the company itself. Thus, in addition to improving the properties of this specific steel residue, the process also allows a carbon capture of the generated gases.

SESSION: AdvancedMaterialsWedAM-R6	Marquis International Symposium on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development(3rd Intl Symp. on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development)
Wed Oct, 25 2017	Room: Condesa IA
Session Chairs: Qizhen Li; Kunichi Miyazawa; Session Monitor: TBA

11:00: [AdvancedMaterialsWedAM01] Keynote
Characterization of Inhomogeneous Microstructure of Ultrafine Grained Magnesium
Qizhen Li¹ ; Xing Jiao² ; ¹Washington State University, Pullman, United States; ², , ;
Paper Id: 154 [Abstract]

Magnesium is the lightest structural metal and its low density makes it highly attractive for automobile and aerospace industries. The usage of light weight magnesium based components in cars and airplanes can reduce the weight of these transportation vehicles and improve the fuel efficiency. To broaden the practical applications of magnesium, it is often needed to refine the material's microstructure and thus improve its mechanical properties. Among the various processing techniques for refining the microstructure of magnesium, equal channel angular pressing (ECAP) is one of the most widely used techniques. In this study, commercially pure magnesium was processed using a series of ECAP cycles and the cross-section planes of the ultrafine grained samples were observed to explore qualitatively the microstructure evolution and inhomogeneity generated through the processing. The observation shows that a large number of deformation twins were generated in most of the grains, shear bands and the breakdown of grains were observed in some portion of the sample, and there was more severe deformation for the part of the sample that travelled along the inner surface of the mold channel.

11:30: [AdvancedMaterialsWedAM02] Keynote
Interfaces in Nanomaterials
Katerina Aifantis¹ ; ¹Univ of Florida, Gainesville, United States;
Paper Id: 372 [Abstract]

The optoelectronic and mechanical properties at the nanoscale can differ drastically than those at the microscale. This is attributed to the large surface to volume ratio that characterizes nanomaterials. In the present talk it will be illustrated that introducing new interface energy terms, in the materials constitutive equations, can allow the interpretation of the experimental stress-strain response observed for nanopillars, micropillars and nanocrystals, which classical mechanics cannot capture. The materials systems to be examined are bi and tri-crystalline Fe-Si alloys, in which nanoindentation is performed near the vicinity of the grain boundary. Furthermore, the behaviour of nanopolycrystalline materials, such as Cu, W, Ni, which exhibit the inverse Hall-Petch transition can also be captured through consideration of such new interface energy terms. The nano indentation results are compared with atomistic simulations and dislocation dynamics to obtain a physical interpretation for the interface energy terms.

12:00: [AdvancedMaterialsWedAM03]
High-Resolution Transmission Electron Microscopy Characterization of Hexagonal C60 Fullerene Nanowhiskers
Kunichi Miyazawa¹ ; Yumi Tanaka¹ ; Yoshihiro Nemoto² ; Takatsugu Wakahara² ; Konno Toshio² ; ¹Tokyo University of Science, Tokyo, Japan; ²National Institute for Materials Science, Tsukuba, Japan;
Paper Id: 174 [Abstract]

C60 fullerene nanowhiskers (C60FNWs) are thin needle-like crystals composed of C60 molecules. Up to now, a wide range of energy, electronics, medical and environmental application studies of C60FNWs have been performed for transistors, solar cells, superconductors, chemical sensors, scaffolds for cell growth, amino acid adsorbents and so forth. One of the important characteristics of C60FNWs is that they can be easily synthesized in solution using a liquid-liquid interfacial precipitation (LLIP) method. C60FNWs have two crystal structures of face-centered cubic (fcc) structure and hexagonal close-packed (hcp) structure. The fcc C60FNWs can be abundantly synthesized. However, since the yield of hexagonal close-packed C60FNWs (h-C60FNWs) synthesized by the LLIP method is very small, the microstructural characterization of h-C60FNWs has not been performed as yet. Hence, the microstructure of h-C60FNWs synthesized by the LLIP method were minutely investigated by high-resolution transmission electron microscopy (HRTEM). In addition to the HRTEM characterization of h-C60FNWs, the polymerization of C60FNWs by Raman laser beam was studied. A Raman laser-irradiated h-C60FNW exhibited a polycrystalline structure with smaller intermolecular distances of C60 than that of a pristine h-C60FNW without the laser irradiation. The spectra of electron energy loss spectrometry for the laser-irradiated h-C60FNW showed broadened pi* bands. Through the Raman spectroscopy measurements and HRTEM observations, it is concluded that C60 oligomers, which are smaller than pentamers, were primarily formed by the laser irradiation.

12:30: [AdvancedMaterialsWedAM04] Keynote
Isolation and Functionalization of Nanocellulose from Lignocellulosic Fibres for Environmental Remediation and Sensor Applications
Chin Hua Chia¹ ; ¹Universiti Kebangsaan Malaysia, BANGI, Malaysia;
Paper Id: 151 [Abstract]

Many research attentions have been focused on the utilization of agricultural lignocellulose biomass for the production of value-added products due to its highly abundance, biocompatibility and biodegradability. One of our major research focuses is to extract nanocellulose from lignocellulosic biomass and further used it to produce value-added functionalized materials. Conventional acid hydrolysis method was used to isolate cellulose nanocrystals (CNC) from holocellulose of oil palm empty fruit bunch (EFB) fibres and kenaf core wood. While two different homogenization systems, i.e., high speed blender and Silverson mixer, were used to defibrillate holocellulose to produce cellulose nanofibrils (CNF). The CNF produced showed rapid adsorption behavior towards cationic dyes, in which the adsorption equilibrium was achieved within 1 min of contact time. This can be due to the high surface area and surface functionalities of the CNF. In additional, by preparing CNF with different hemicellulose contents, we confirmed that hemicellulose is the major contributor in determining the adsorption performance of CNF. Maximum adsorption capacity of the CNF was 122.2 mg/g. The produced CNF was also been used as template to synthesis CNF-silver nanocomposites via in situ synthesis of AgNPs approaches. The produced mixture was freeze-dried and turned into aerogels. The nanocomposites showed significant enhancement in the detection of Rhodamine B (RhB) in aqueous solution due to surface-enhanced Raman scattering effect (SERS) of the immobilized AgNPs clusters. The CNF�AgNPs nanocomposite showed sensitivity for detecting RhB at different concentration levels, ranging from 5 � 10-3 M to 5 � 10-7 M. In addition, the nanocomposites exhibited a notable catalytic effect on the degradation of RhB in the presence of sodium borohydride. These may find applications in sensors, water purification and smart materials.

SESSION: AdvancedMaterialsWedPM-R6	Marquis International Symposium on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development(3rd Intl Symp. on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development)
Wed Oct, 25 2017	Room: Condesa IA
Session Chairs: Hassane Oudadesse; Thorsten Kluener; Session Monitor: TBA

14:30: [AdvancedMaterialsWedPM05]
Synthetic Bone Biomaterial: Physicochemical and Biological Investigations
Hassane Oudadesse¹ ; S Mosbahi² ; S Jebahi³ ; A. Lucas Girot² ; H. Elfeki³ ; A. Elfeki³ ; G. Cathelineau² ; ¹University of rennes 1, Rennes, France; ²University of Rennes 1, Rennes, France; ³University of Sfax, Sfax, Tunisia;
Paper Id: 190 [Abstract]

Synthetic biomaterials such as calcium phosphate, calcium carbonate, geopolymers and bioactive glasses offer several opportunities for applications in orthopedic or jawbone surgery. Physicochemical and biological properties such as crystalline structure, mechanical properties, biocompatibility and kinetic of ossification are necessary for the success of biomaterials. In this work calcium carbonate in the aragonite form and bioactive glasses have been studied. Their association with antibiotic, biopolymers or bisphosphonate for the treatment of bone pathologies were performed. Calcium carbonate was synthesized at low temperatures. Obtained powder was compacted, mixed with porogens to create porosity (44% in this study) and implanted in the femoral site of ovine. A bioactive glass was elaborated by melting process and implanted in the tibia plates of rabbits. Several physicochemical techniques X-ray Diffraction (XRD), Scanning Electron Microscopy (SEM), Neutron Activation Analysis (NAA) and Protons Induced X-rays Emission (PIXE) were employed to evaluate the in vitro and the in vivo behavior of these biomaterials. Histological studies were performed to analyze the eventual inflammations in the implanted area and to highlight the effects of introduced organic molecules in the matrix of biomaterials on the osteoporosis phenomenon. Obtained results show that mineral composition of these two biomaterials undergoes some transformations versus time of implantation in the femoral site. Concentrations of atomic elements such as Ca, P, Sr and Zn present spectacular variations versus time. Few weeks for bioactive glass and few months of CaCO3 after implantation, mineral composition of the initial implants is close to the mineral composition of the mature bone. Cartographies were performed on the surfaces of the biomaterials, on the interface bonebiomaterial and on the bone. Obtained results show a good bioconsolidation of these two biomaterials. Treatment of osteoporosis was observed when a specific bisphosphonate is present in the biomaterial matrix.

15:00: [AdvancedMaterialsWedAM06] Keynote
Adsorption of SO2 on the TiO2 Rutile (110) Surface From First Principles
Thorsten Kluener¹ ; Thomas Teusch² ; ¹University of Oldenburg, Oldenburg, Germany (Deutschland); ², , ;
Paper Id: 205 [Abstract]

The sulfur dioxide (SO2) adsorption on the perfect TiO2 (110) rutile surface has been investigated by performing density functional theory (DFT) calculations with the PBE0 functional with periodic boundary conditions. We determine four stable adsorption geometries indicating different SOx-like species (SO2, SO3 and SO4), which are in agreement with various experimental examinations.

15:30: [AdvancedMaterialsWedAM07]
Hybrid Bio-Composite Glass-Chitosan Used for Applications in Biomedical Field
Hassane Oudadesse¹ ; S Mosbahi² ; S Jebahi³ ; H. Elfeki³ ; A. Elfeki³ ; H. Keskes³ ; ¹University of rennes 1, Rennes, France; ²University of Rennes 1, Rennes, France; ³University of Sfax, Sfax, Tunisia;
Paper Id: 191 [Abstract]

The hybrid composite consisting on the association of bioactive glass and chitosan biopolymer was elaborated by using an original process based on freeze-dried process and lyophilisation principle. This hybrid biocomposite offers several applications and advantages in dental,maxilo-facial and orthopedic surgery. Using this kind of biomaterial could enhance a direct bond to the living bone through the development of the surface layer of carbonated apatite and serves for therapeutic treatment such as osteoporosis phenomenon. The bioactive glass was synthesized in the SiO2 (46% wt.) - CaO (24% wt.) - Na2O (24% wt.) and P2O5 (6%wt.) system. The amount of introduced chitosan was of 17% wt. Chitosan was mixed with glass powder following several steps. Hybrid bio-composite was then implanted in the femoral site of ovarioctomized rates. Sampling has been carried out after a different period. Biological and physicochemical characterizations such as XRD, SEM, FTIR, MAS-NMR, mechanical characteristics and other techniques have employed to highlight this bio- composite behavior after in vivo assays. Effects of chitosan on the osteoporosis created following the ovarioctomization have been studied. Obtained results show good biocompatibility of bio-composite. The biological apatite is deposed since the first month after implanted as showed by SEM. It crystallizes in hexagonal system, which corresponds to the crystallographic structure of mature bone. 13C solid-state MAS NMR investigated the organic moiety of the bone Extra Cellular Matrix (ECM). Obtained spectra of native femoral condyle bone, show the typical spectral signature of collagen. 29Si and 31P were also investigated. The kinetic of ossification revealed that at 3 months of implantation, the hybrid bio-composite was completely transformed into bone. Osteoinduction phenomenon and antiosteoporotic effects of chitosan were highlighted in the ovariectomised rates by using histological investigations.

16:00: [AdvancedMaterialsWedAM08] Keynote
Development of Primary Coolant Piping for AP1000 Pressurized Water Reactor
Xitao Wang¹ ; Fei Xue² ; ¹University of Science and Technology Beijing, Beijing, China; ²Suzhou Nuclear Power Research Institute, Suzhou, China;
Paper Id: 127 [Abstract]

Nuclear power is increasing rapidly as an important substitute for coal-fired electricity power in China. Four 3rd generation AP1000 nuclear reactors are under construction. The primary piping is one of the key components for reactor coolant system pressure boundary, which provides a barrier against the release of radioactivity generated within the reactor and is designed to provide a high degree of integrity throughout operation of the plant.
Manufacturing of the world first AP1000 primary piping is a big challenge. According to Westinghouse design, it is forged integrally with nozzles. Ultra-low carbon-nitrogen alloyed stainless steel AISI 316LN is selected. Microstructure and precision shape control are two major goals to fulfill in manufacturing. A number of investigations on the materials and process have been carried out both in lab and full scale. Solidification sequence was observed in-suit to optimize the microstructure of ingot. Hot deformation behavior was studied by a large number of tensile and compression experiments. Constitutional model for flow stress was established. Recrystallization was observed and physical based models for microstructure evolution was obtained. Full scale 3D FEM simulations on forging and bending were performed to optimize grain size and its distribution, as well to ensure the final shape precision.
Based on the laboratory results, full-size hot leg and cold leg piping were trail-manufactured. Both microstructure and property requirements are fulfilled. The final product was granted by authorities.

SESSION: AdvancedMaterialsThuAM-R6	Marquis International Symposium on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development(3rd Intl Symp. on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development)
Thu Oct, 26 2017	Room: Condesa IA
Session Chairs: Nikoloz Chikhradze; Fernando Castro; Session Monitor: TBA

11:00: [AdvancedMaterialsThuAM01] Keynote
Advances in Hybrid Characterization of Nanoscaled Energy Materials and Printed Electronics
Fernando Castro¹ ; ¹National Physical Laboratory (NPL), Teddington, United Kingdom (Great Britain);
Paper Id: 185 [Abstract]

Organic, printed and hybrid electronics cover a wide range of applications ranging from solar cells and transistors to sensors to enable the internet-of-things. One advantage of such materials is the possibility to manufacture devices on a variety of different substrates which facilitates integration into different products. In addition, the semiconductor or nanoparticles used for these devices often can be solubilised, allowing processing via printing and coating methods that have the potential to significantly reduce manufacturing costs if reliable high yield processes can be developed. Often these devices are formed by single or multiple ultrathin layers and can present inhomogeneity at different length scales. Despite significant advances in analytical characterization methods, the impact of nanoscale properties on device performance and reliability remains a challenge to measure directly. Here we present a hybrid metrology approach that allows simultaneous measurement of topography, electrical and optical microscopy at the nanoscale. Results related to nanostructured solar cells will be presented and applicability to other nanoelectronics devices, such as Si nanowire-based, will be discussed. Such method allows direct correlation of properties and also allows easy scalability for spatially resolved measurements at the micrometer level, providing direct links between lab research and characterisation tools that can be used in an industrial quality control process.

11:30: [AdvancedMaterialsThuAM02]
Advantages, Challenges and Opportunities of Wind Power Systems
Fernand Marquis¹ ; Nikoloz Chikhradze² ; A.g. Mamalis³ ; ¹San Diego State University, Department of Mechanical Engineering, San Diego, United States; ²LEPL Grigol Tsulukidze Mining Institute/Georgian Technical University, Tbilisi, Georgia; ³Demokritos National Center for Scientific Research, Athens, Greece;
Paper Id: 82 [Abstract]

The wind power available on the Earth atmosphere is much larger then the current world power consumption. Its potential on land and near shore is believe to exceed 72 TW. This is equivalent to 54 millions of tons of oil per year, or over five times the total combined world power from all sources. In addition, wind power is clean and renewable without any form of emissions or residues and it does not involve the depletion of any form of fuel. The growth in new capacity has exceeded 30 percent over the last five years and is expected to continue and/or exceed this trend for many years to come. This means that the wind power industry is currently experiencing a very rapid development stage but is far from reaching its mature stage. Wind power systems have many advantages, although currently experience significant challenges and considerable opportunities with an extraordinary potential for a major power source and considerable contributions to sustainable development. The potential negative environmental impacts are very few but not in depth such as noise and potential disturbance in landscape, fauna and flora. Advances in power grid characteristics and recharging technology have been and are expected to continue to be considerable enablers. This paper discusses typical advantages, challenges and opportunities in mechanical and materials design and manufacture with particular focus on the potential of nano materials and hybrid materials for application in new environments and geographic locations both land and offshore-based.

12:00: [AdvancedMaterialsThuAM03]
HRTEM Characterization of Platinum Nanoparticles Deposited on Various Novel Nanocarbons using Coaxial Arc Plasma Deposition and Nanocarbon Supports
Kunichi Miyazawa¹ ; Masaru Yoshitake¹ ; Yumi Tanaka¹ ; ¹Tokyo University of Science, Tokyo, Japan;
Paper Id: 160 [Abstract]

Carbon is an indispensable material for the support of platinum (Pt) catalysts of polymer electrolyte fuel cells. Carbon nanotubes, graphene and graphite nanoplatelets have been recognized as promising new Pt carbon supports for their superior electrical, mechanical and surface properties. Recently, the coaxial arc plasma deposition (CAPD) method has attracted rising attention in preparing metal nanoparticles (NPs), since it is a simple dry process that can directly deposit metal NPs on substrates in vacuum, and the research to prepare Pt NPs on the above novel nanocarbons has been actively performed for the development of fuel cells. Using CAPD, we deposited Pt NPs on the various nanocarbon substrates, and the structure of the Pt NPs and nanocarbon substrates has been analyzed in atomic scale by use of high-resolution transmission electron microscopy (HRTEM) coupled with electron energy loss spectroscopy (EELS). Deposition of Pt NPs on fullerene nanowhiskers also has been conducted to demonstrate the strong applicability of CAPD even for such molecular crystals composed of fullerene molecules bonded via weak van der Waals bonding forces.

12:30: [AdvancedMaterialsThuAM04] Invited
Radiation Hardening of Molybdenum by Argon Ion Implantation
Anzor Guldamashvili¹ ; Yuri Nardaya¹ ; Tsira Nebieridze¹ ; Ekaterine Sanaia² ; Avtandil Sichinava² ; Marina Kadaria¹ ; ¹Ilia Vekua Sukhumi Institute of Physics and Technology, Tbilisi, Georgia; ², Tbilisi, Georgia;
Paper Id: 138 [Abstract]

The hardening of nano-sized Mo layers of (110) and (111) orientation after Ar ion implantation was studied. Ion bombardment was carried out successfully for materials modification and simulation of reactor irradiation. Monocrystalline Mo samples of 99.99 at. % purity obtained by zone melting were used as initial material. Polished plane-parallel specimens of 1.5 mm thickness and 15 mm in diameter with roughness of 7.5 nm were prepared for ion implantation. The conditions of Mo implantation with Ar ions were: energy-60 keV; fluences Φ=1•1014, 1•1015, 1•1016 ion/cm2; temperature T=300-350 K. The microhardness was studied by the Vickers method on Shimadzu dynamic ultra-micro hardness tester DUH-211S. Testing was performed at load-unload mode with constant speed of deformation in the range of loads 3-1500 mN. Initial microhardness of Mo <110> and <111> were 1.85 GPa and 1.95 GPa respectively. The experimental results of relative hardening H/H0 of Mo samples irradiated with various fluences and radiation damage doze-D, dpa will be presented and dicussed. Research results show considerable hardening of initial material. Radiation hardening of Mo is caused by creation of the new centers of dislocation pinning, which increases the resistance to the motion in the plane of dislocations slip. After isothermal treatment of the samples the microhardness returns to initial value. Temperature range of annealing coincides with 'annealing' of the increment of bcc metals hardness in reactor and almost output of all argon atoms from the crystal.

SESSION: AdvancedMaterialsThuPM-R6	Marquis International Symposium on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development(3rd Intl Symp. on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development)
Thu Oct, 26 2017	Room: Condesa IA
Session Chairs: Junrong Zheng; Abdeen Omer; Session Monitor: TBA

14:30: [AdvancedMaterialsThuPM05] Keynote
Electron/Hole Transformation between Two Atomic Layers
Junrong Zheng¹ ; ¹Peking University, Beijing, China;
Paper Id: 195 [Abstract]

Electron/hole transformations on interfaces determine fundamental properties of opto-electro-chemical devices, but remain a grand challenge to experimentally investigate and theoretically describe. Herein combining ultrafast VIS/NIR/MIR frequency-mixed microspectroscopy and state-of-the-art two-dimensional atomic device fabrications, we are able to directly monitor the phase transitions of charged quasiparticles in real time on the ultimate interfaces � between two atomic layers. On type II semiconductor/semiconductor interfaces between two transition metal dichalcogenide (TMDC) monolayers, interfacial charge transfers occur within 50fs and interlayer hot excitons (unbound interlayer e/h pairs) are the necessary intermediate of the process for both energy and momentum conservations. On semiconductor/conductor (graphene) interfaces, interlayer charge transfers result in an unexpected transformation of conducting free carriers into insulating interlayer excitons between the conducting graphene and the semiconducting TMDC. The formation of interlayer excitons significantly improves the charge separation efficiency between the two atomic layers for more than twenty times.

15:00: [AdvancedMaterialsThuAM06] Invited
Progress in Green Energies, Sustainable Development, and the Environment
Abdeen Omer¹ ; ¹Energy Research Institute, Nottingham, United Kingdom (Great Britain);
Paper Id: 242 [Abstract]

Globally, buildings are responsible for approximately 40% of the total world annual energy consumption. Most of this energy is for the provision of lighting, heating, cooling, and air conditioning. Increasing awareness of the environmental impact of CO2, NOx and CFCs emissions triggered a renewed interest in environmentally friendly cooling, and heating technologies. Under the 1997 Montreal Protocol, governments agreed to phase out chemicals used as refrigerants that have the potential to destroy stratospheric ozone. It was therefore considered desirable to reduce energy consumption and decrease the rate of depletion of world energy reserves and pollution of the environment. This article discusses a comprehensive review of energy sources, environment and sustainable development. This includes all the renewable energy technologies, energy efficiency systems, energy conservation scenarios, energy savings and other mitigation measures necessary to reduce climate change.

SESSION: AdvancedMaterialsMonAM-R7	Marquis International Symposium on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development(3rd Intl Symp. on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development)
Mon Oct, 23 2017	Room: Condesa IB
Session Chairs: Toshinori Okura; Carlos Enrique Schvezov; Session Monitor: TBA

11:00: [AdvancedMaterialsMonAM01] Plenary
Production and Characterization of TiO2 Coatings for Hemocompatible and Photocatalytic Applications
Carlos Enrique Schvezov¹ ; ¹Institute of Materials of Misiones (IMAM) CONICET � UNaM, Misiones, Argentina;
Paper Id: 233 [Abstract]

The interest on studying the properties of Titanium dioxide is associated to its potential use in many applications from the energy to environmental and biomedical fields. In the present summary, the advances on titanium dioxide coatings produced for hemocompatible and photocatalytic applications are presented. The coating techniques consist of the sol-gel method and anodic oxidation. The research progress on nanofilms produced with these techniques are presented and discussed considering many aspects as; process parameters, morphology, roughness, crystal structure, adhesion, wear and erosion resistance, corrosion resistance, hemocompatibility, toxicity, plaque and bacterial adhesion and heterogeneous photocatalysis of immobilized porous material.

11:30: [AdvancedMaterialsMonAM02] Keynote
Development of New Superionic Conductor Narpsio Glass-Ceramics
Toshinori Okura¹ ; ¹Kogakuin University, Hachioji, Japan;
Paper Id: 245 [Abstract]

This paper describes a series of studies on the Na+ superionic conducting glass-ceramics with Na5YSi4O12 (N5)-type structure synthesized using the composition formula of Na3+3x-yR1-xPySi3-yO9 for a variety of rare earth elements, R, under the appropriate composition parameters (Narpsio). The possible combinations of x and y became more limited for the crystallization of the superionic conducting phase as the ionic radius of R increased, while the Na+ conduction properties were more enhanced in the glass-ceramics of larger R. The meaning of the composition formula can be signified in the thermodynamic and kinetic study of crystallization and phase transformation of metastable to stable phase in the production of N5-type glass-ceramics. It was demonstrated that the medium value of content product as [P]�~[R] is important in the crystallization of N5 single phase. Conduction properties of these glass-ceramics were strongly dependent upon the crystallization conditions as well as compositions. Not only complex impedance analysis but also TEM observation confirmed that this dependence was attributed to the conduction properties of grain boundaries which were glasses condensed at triple points enclosed by grains. The Narpsio family has great potential, and is one of the most important groups of solid electrolytes, not only because it is practically useful for advanced batteries, but also because it is a three-dimensional ionic conductor, which comprises 12-(SiO4)4--tetrahedra membered skeleton structure, from which or by analogy with which various kinds of solid electrolyte materials can be derived. It is a solid solution in the Na2O-R2O3-P2O5-SiO2 system. A variety of modified Narpsios have been synthesized by replacing R with Sc, Y, In, La, Nd, Sm, Eu, Gd, Dy, Er, Yb, and/or by substituting tetra (Ti4+, Ge4+, Te4+), tri (B3+, Al3+, Ga3+), penta (V5+), and hexa (Mo6+) valent ions for P or Si.

12:00: [AdvancedMaterialsMonAM03]
Nano-Structured Chalcogenide Materials for Economic and Efficient Solar Energy Converters
Yurii Vorobiov¹ ; Iker Rodrigo Chavez Urbiola² ; Rafael Ramirez Bon² ; Pavel Vorobiev³ ; Francisco Javier F. J. Willars Rodriguez² ; Paul Horley³ ; ¹CINVESTAV Unidad Queretaro, Queretaro, Mexico; ²CINVESTAV-IPN, Unidad Queretaro, Queretaro, Mexico; ³CIMAV Monterrey, Monterrey, Mexico;
Paper Id: 34 [Abstract]

Solar energy converters based on CdS/CdTe bilayer occupy a solid position in the market of renewable energy devices (the second most abundant photovoltaic technology). The other chalcogenide semiconductors, like CdSe, PbS, PbSe and PbTe are also of great interest for solar cell applications (in some of them the multi exciton generation was observed, the other can be part of efficient multi-layered converters). These materials are not expensive contrary to III-V semiconductors normally used in multi-layered cells, and can be produced by economic and ecologically friendly techniques like CBD (Chemical Bath Deposition) and its recent versions (SILAR - Successive Ionic Layer Adsorption and Reaction, and PCBD - Photo Chemical Bath Deposition). Our purpose was to study the effects of nano-porosity that is an essential feature of these methods; the corresponding quantum confinement affects the band gap value that can be used for its monitoring thus optimizing the device efficiency. The corresponding band gap variation can be regulated by experimental conditions; for illustration, in PbS we observed the band gap variation between 0.4 and 0.8 eV. Our experimental solar cell with CdS/PbS absorbing part has the external quantum efficiency of 25 %. We also found that in Glass/ITO/CdS/CdTe/Metal solar cell nano-structurization leads to formation of two-dimensional quantum wells near interfaces ITO/CdS and CdS/CdTe causing the blue shift of electronic transitions. Analysis of the structure made by XPS and Photoluminescence has shown that the CdS/CdTe active bilayer has several potential barriers that are responsible for the photo voltage generated by illumination. In general, we conclude that the quantum confinement effects caused by nano-structurization of semiconductor films for solar energy converters improve the converters' parameters.

12:30: [AdvancedMaterialsMonAM04] Invited
Hazard of Uranium, Plutonium, and Curium Transfer in the Form of Volatile Oxides and Hydroxides in the Atmosphere
Vladimir Domanov¹ ; ¹, Dubna, Russian Federation;
Paper Id: 297 [Abstract]

Experimental evidence for the existence of volatile oxides and hydroxides of nat.U, 238,239Pu and 244,243,244Cm is obtained. They were produced under thermal oxidation of trace quantities of these actinides in a slow stream of the dry He and O2 mixture. The volatile compounds were separated by the thermochromatographic (TC) method. The initial sample was a purified quartz powder with actinides in question adsorbed on its surface. It was placed into the starting zone of an empty quartz TC column. The results of the experiments showed that the uranium compounds were transported along the column and adsorbed at 45025C, 25025C and 12025C. The deposition zones were found with an α-spectrometer. The location of the plutonium deposition zones resembled the distribution of the uranium adsorption zones, and one more very volatile compound deposited at a negative temperature about 100C was registered. In similar conditions, curium formed three adsorption zones located at 55025C, 39025C and at negative temperature equal to 8050C. An increase in the efficiency of uranium and plutonium transport into the third zone (12025C) with the enhancement of the gas humidity can be connected with formation of volatile hydroxides. For completeness of the interpretation of the results obtained, model experiments with trace quantities of 249Cf and carrier-free 185Os, 183Re, 97Ru and 96Tc radioisotopes were performed. It was shown that 249Cf formed volatile dioxide adsorbed at 45025C. It was also found that other model radioisotopes in a stream of helium with a negligible touch of oxygen were adsorbed at 450-500C and 250-300C in the forms of dioxides and trioxides, respectively. Based on these data, it is assumed that the first adsorption zone appears due to formation of actinides dioxides, and the second one appears due to formation of trioxides. There is some similarity when we compared 185OsO4 and 97RuO4 adsorption zones to last adsorption zones of plutonium and curium. We can draw a conclusion that octavalent plutonium and curium were produced, which were in a form of very volatile PuO4 and CmO4 deposited at a negative temperature. The results obtained point to the possibility of migration of oxidation products of uranium, plutonium, and curium in the atmosphere after nuclear tests and accidents at nuclear power plants. It was concluded that dioxides and trioxides of actinides can migrate in the atmosphere by an aerosol mechanism, the volatile tetraoxides PuO4 and CmO4 can be transferred by airflow, and the transfer of volatile U and Pu hydroxides can be affected by a mixed mechanism.

SESSION: AdvancedMaterialsMonPM-R7	Marquis International Symposium on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development(3rd Intl Symp. on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development)
Mon Oct, 23 2017	Room: Condesa IB
Session Chairs: Fuqian Yang; Session Monitor: TBA

14:30: [AdvancedMaterialsMonPM05]
Liquid Phase Shock Assisted Synthesis and Consolidation of Nanostructured W-Ag and Ta-Ag Composites
Akaki Peikrishvili¹ ; Bagrat Godibadze² ; Grigor Mamniashvili³ ; Elguja Chagelishvili² ; ¹F. Tavadze Institute of Metallurgy and Materials Science, Tbilisi, Georgia; ²Tsulukidze Mining Institute, Tbilisi, Georgia; ³Javakhishvili Tbilisi State University, Tbilisi, Georgia;
Paper Id: 168 [Abstract]

In order to fabricate and to consolidate different compositions within the W-Ag and Ta-Ag powder systems and to obtain bulk nanostructured billets near to theoretical densities, nanoscale tungsten and tantalum precursors we used, with grain sizes 100 and 80nm respectively. Conventional silver powders with grain size around 5� were then added to the W and Ta matrices. The temperature of heating and loading during the processing ranged from below to above the melting point of silver and up to 10000C. The intensity of loading was under 10GPa. Using Hot Explosive consolidation technology several compositions of nanostructured mixtures of W-Ag and Ta-Ag blended powders were consolidated to near the theoretical density. These investigations showed that the application of nanostructured W(Ta)-Ag blends of powders, followed by their explosive consolidation at near to the melting point of silver preserved the nanoscale of the grains of W and Ta and enabled the fabrication of cylindrical billets with density near to the theoretical values without visible coarsening. The consolidated samples were characterized with good integrity and improved physical and mechanical properties. The structure and characteristics of the obtained samples depend on the phase content, distribution of phases and processing parameters during explosive synthesis and consolidation. Additionally, we observed that the electrical properties (resistance and dependence of the susceptibility) of the consolidated Ta-Ag composites were dependent upon the phase content and the density of the consolidated samples. It also observed that the CTE of the nanostructured W-Ag composites was improved and that the microstructures showed better stability in comparison with existing W-Cu and AlSiC materials. In this paper we present and discuss the processing of the precursors and the fabrication of W-Ag and Ta-Ag nanostructured composites together with the detail description of HEC technique.

15:00: [AdvancedMaterialsMonAM06] Keynote
Supercapacitors From Biomass-derived Activated Carbons
Fuqian Yang¹ ; ¹University of Kentucky, Lexington, United States;
Paper Id: 319 [Abstract]

During the past decade, increasing effort in the research of advanced energy storage technologies has led to tremendous progress in the energy storage devices, including lithium-ion batteries (LIBs) and electrochemical supercapacitors (ESCs). The ability to produce energy storage devices of high capacity/capacitance, high energy and power density promises to have a significant impact on various applications, including automobiles, portable electronics, photonics, and bioengineering. Electrochemical supercapacitors, which are mostly based on carbon materials, can have much faster charging rates and longer lives than LIBs. ESCs with large capacitances have been proposed recently and received great attention as potential energy storage systems. We use the processes of hydrothermal carbonization to prepare carbonized biomass from hemp and corn syrup; one involves the bottom-up approach, and the other involves the top-down approach. The physical activation is used to activate the carbonized biomass to produce activated carbons. The activated carbons are used to construct the electrodes of supercapacitor cells. The electrochemical performance of the activated carbons used in the supercapacitor cells is investigated. Excellent electrochemical performance metrics are achieved, including a specific capacitance of 160 F/g, and a high energy density of 19.8 Wh/kg at a power density of 21 kW/kg. A simple relationship between the specific area capacitance and the fraction of micropores is proposed, via the rule of mixtures, and is supported by the experimental results.

15:30: [AdvancedMaterialsMonAM07]
Effect of Alloying Element on Deformation Behavior of Binary Magnesium Alloys
Ji Hyun Hwang¹ ; Byeong-chan Suh² ; Jae H. Kim³ ; Myeong-shik Shim³ ; B. J. Lee¹ ; Jaimyun Jung¹ ; H. S. Kim¹ ; Nack Kim³ ; ¹Pohang University of Science and Technology, Pohang, Korea (Republic of [South] Korea); ²NIMS, Tsukuba, Japan; ³POSTECH, Pohang, Korea (Republic of [South] Korea);
Paper Id: 111 [Abstract]

As the lightest of structural alloys, Mg alloys offer significant potential for weight reduction, but have yet to see the significant application in automobiles, particularly in sheet form. One of the major drawbacks preventing such application is their poor formability at room temperature, originating from their strong basal texture and the limited number of slip systems. Therefore, numerous studies have been conducted to improve the formability of Mg alloys by alloy modification and weakening/randomizing the texture. Although the effect of alloying elements on the modification of texture is relatively well understood, the intrinsic effect of alloying elements on the deformation behavior of Mg alloys is not clearly understood yet. The present work is aimed at having a better understanding of the effect of alloying elements on the deformation behavior of Mg alloys. Among various elements utilized in Mg alloys, four representative alloying elements have been chosen; Al and Zn that are most commonly used alloying elements in Mg alloys, Sn that is known to increase ductility and promote significant precipitation hardening in Mg alloys, and Y that represents rare earth elements used in numerous Mg alloys. The binary alloys containing these elements have been cast and subjected to various thermomechanical treatment to have the similar grain size. Their deformation behavior has been analyzed by in-situ tensile test with EBSD, and the result has been compared with the VPSC simulation analysis to identify the role of each alloying element in the deformation behavior.

16:00: [AdvancedMaterialsMonAM08]
lUse of Green Biosurfactants and Nanomaterials for Mining Residue and Effluent Remediation
Catherine Mulligan¹ ; ¹Concordia University, Montreal, Canada;
Paper Id: 150 [Abstract]

Removal of metals from mining effluents is challenging. Different novel approaches have used for remediation of the metal containing effluents. Although ultrafiltration can remove high molecular weight molecules, it is not effective for removal of low molecular weight pollutants. To increase the size of these pollutants, a rhamnolipid biosurfactant was utilized in micellar-enhanced ultrafiltration (MEUF) of heavy metals from contaminated waters. Various operating conditions were investigated and optimized for copper, zinc, nickel, lead and cadmium. Six contaminated wastewaters from metal refining industries were treated using two different membranes. The resulting heavy metal concentrations in the treated water were all significantly reduced to accord with the federal Canadian regulations. Another approach included an evaluation of the use of a biosurfactant, rhamnolipid, for the removal and reduction of hexavalent chromium from contaminated water. The initial chromium concentration, rhamnolipid concentration, pH and temperature affected the reduction efficiency. Complete reduction by rhamnolipid of initial Cr (VI) in water at optimum conditions (pH 6, 2% rhamnolipid concentration, 25oC) occurred at a low chromium concentration (10 ppm). Experiments were also conducted to investigate the effect of rhamnolipid on the remediation of chromium(VI) from water using iron nanoparticles. Iron nanoparticles were produced in the presence of different concentrations of rhamnolipid. Then, unmodified nanoparticles were treated with different concentrations of rhamnolipid and carboxymethyl cellulose. Furthermore the effect of the presence of rhamnolipid on reductive remediation of hexavalent chromium, Cr (VI), to trivalent, Cr (III), was investigated. At concentrations of 0.08 g/L iron and 2% (w/w) of rhamnolipid, the remediation of chromium increased by 123% in 15 hours compared with solutions containing only iron nanoparticles or only rhamnolipid. In addition, the applicability of iron/copper bimetallic nanoparticles for removal of arsenic from contaminated waters was investigated. Sorption tests in aqueous arsenic solutions at three different concentrations with various doses of nanoparticles were performed. Synthesized nanoparticles of hybrid Fe/Cu nanoparticles with a mean diameter of 13.17 nm were effective for removing arsenic from aqueous solutions. The Fe/Cu nanoparticle powder was found to be effective for removal of arsenic from water over a period of 18 months and has potential to be used for arsenic remediation from the aquatic environment in the long term. Overall, depending on the metal contamination, biosurfactants and/or nanoparticle addition may be effective for metal contamination effluent treatment.

SESSION: AdvancedMaterialsTueAM-R7	Marquis International Symposium on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development(3rd Intl Symp. on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development)
Tue Oct, 24 2017	Room: Condesa IB
Session Chairs: Yoshitaka Matsukawa; Lasse Rosendahl; Session Monitor: TBA

11:00: [AdvancedMaterialsTueAM01] Keynote
Hydrothermal Liquefaction of Biomass as Sustainable Pathways to Fuels and Chemicals
Lasse Rosendahl¹ ; Thomas Pedersen¹ ; Saqib Toor¹ ; ¹Aalborg University, Aalborg East, Denmark;
Paper Id: 336 [Abstract]

Biomass conversion through direct liquefaction has been investigated for decades. Specifically for hydrothermal liquefaction (HTL), in which organic material is converted in an aqueous medium under the application of pressure and temperature, focus has been on converting inherently wet organic materials into an oil � a bio-crude � typically maximizing mass yields and operating at pressure-temperature combinations below the critical point of water. For inherently dry materials, pyrolysis has been more favored. However, recent work not only indicates that HTL is an efficient method to convert not only wet feedstocks, defined by humidity contents greater than, say, 70%, but also for feedstocks commonly considered dry such as lignocellulosics. This opens up for a vast range of organic material � aquatic biomass, terrestrial biomass, non-plant organic material and various liquid organic waste streams � all of which can be processed by the same technology platform. Recent focus, however, has been directed not only at technical processing aspects such as temperature and heating rate, pressure, dry matter concentration, reaction environment pH etc, but also at establishing individual reaction mechanisms for the macro-compounds in the organic material, subject to a given set of reaction conditions. Thus, rather than focusing on mass yield as the single quality parameter, the reaction product composition (mainly in the bio-crude) forms the platform for a more holistic understanding of what constitutes an �optimal process�, allowing for a more coherent approach to building knowledge about how to apply HTL to one or multiple available sources of organic material, and to operate the process to maximize certain fuel compounds or platform chemicals. This presentation will address supercritical HTL and it�s application to lignocellulosics as well as certain aquatic biomasses and contaminated waste fractions, separate and mixed, from the perspective of understanding the biocrude composition and maximizing desired fuel precursors in the bio-crude. Furthermore, the talk will explore utilization of potential value-added compounds in the bio-crudes, as well as methods to reach fuel grade quality from selected fractions of bio-crude.

11:30: [AdvancedMaterialsTueAM02] Keynote
FTIR Spectroscopy for Characterization of Surface Properties of Disperse Materials
Alexey Tsyganenko¹ ; ¹St.Petersburg State University, St. Petersburg, Russian Federation;
Paper Id: 252 [Abstract]

Surfaces and interfaces are everywhere: in the ground, seawater, atmosphere, space, and even in the living organisms. Vibrational spectroscopy is the most powerful non-destructive method for surface characterization. Spectra of surface functional groups and adsorbed test molecules provide information on the nature of active sites, their strength and concentration. Variable temperature spectroscopy data enable us to study thermodynamics of surface processes and measure the energy or entropy of adsorption. At low-temperatures it is possible to see the spectra of CO, NO, H2 N2 or other simple molecules that do not adsorb at room temperature. Using low-temperature adsorption of weak CH proton-donating molecules such as CHF3, we can characterize the basicity of surface electron-donating sites. Carrying out simultaneous measurements of spectra, pressure and temperatures one can obtain spectrokinetic data and get information about the height of activation barriers of surface reactions. To trap the unstable intermediates of catalytic processes we can follow spectra evolution with temperature and observe the chain of reactant transformations. In particular, the method can be applied to the studies of photocatalytic reactions, modeling the reactions at the surface of atmospheric aerosol particles. The structure of intermediates can be clarified using isotopic substitution, then the detailed mechanism of catalytic processes could be established. Some adsorption products cannot be stabilized at low temperatures, but arise at the surface as a result of thermal excitation. So, CO forms with the cations in zeolites two kinds of complexes. Besides the usual C-bonded structure the energetically less favorable O-bonded species arise and exist in thermodynamic equilibrium with usual form. Such linkage isomerism was established for some other adsorbed species, such as cyanide ion CN- produced by HCN dissociation. FTIR spectra are sensitive to lateral interactions between the adsorbed species, which shift the bands of test molecules or complicate their contours. Co-adsorption of acidic and basic molecules leads to mutual enhancement of adsorption. Acidity of surface sites can be increased by adsorbed acidic molecules, this is consistent with superacidity of oxides doped with SO42-. By means of isotopic dilution this static interaction can be distinguished from the dynamic one. The latter, called also as resonance dipole-dipole (RDD) interaction, accounts for the vibrational energy exchange in the adsorbed layer. Its spectral manifestation provide additional information on the geometry of surfaces. Quantitative spectral analysis of surface sites is not possible without the knowledge of absorption coefficients of test molecules. Quantum chemical calculations and electrostatic approach predict the correlation between the frequency shifts on adsorption and the absorption coefficients, in a fair agreement with the experimental data.

12:00: [AdvancedMaterialsTueAM03] Keynote
Recent progress on the theory of precipitation hardening in nuclear materials research
Yoshitaka Matsukawa¹ ; ¹Tohoku University, Sendai, Japan;
Paper Id: 262 [Abstract]

The useful lifetime of nuclear power plants is practically limited by embrittlement of non-replaceable reactor pressure vessels, induced by precipitation of minor alloying elements rather than irradiation damages. Establishing a mechanism-based predictive model of material embritlement (loss of ductility) is a goal of nuclear materials research community; however, this is also a long-standing challenge in fundamental physical metallurgy. Although the theory of dislocation is well established for quantitatively describing the strength of materials, the dislocation theory is incapable of directly describing the ductility thus far. Hence, the loss of ductility has often been indirectly scaled by the degree of hardening, based on a generally-accepted empirical rule that stronger materials exhibit less ductility. In the spirit that improving the quantitative precision of the modeling of hardening is a contribution to the precision improvement of the lifetime prediction, we have tried to further develop the theory of precipitation hardening by using advanced material characterization techniques. Precipitation occurs as a result of local enrichment of solute elements originally dissolved in the matrix. In a very early stage of solute agglomeration, clusters of solute elements have the same crystal structure as that of the matrix rather than the final product of precipitation. The crystal structure of precipitate particles was found to be a factor dominating their obstacle strength against gliding dislocations associated with deformation. Even in the case where the obstacle is softer than the matrix in terms of shear modulus, gliding dislocations are unable to cut through it when the slip plane inside the obstacle is not parallel with that in the matrix, because dislocations on atomic planes different from slip planes are practically sessile. Soft precipitates can be Orowan-type strong obstacles. The obstacle strength of precipitates changes during precipitation.

12:30: [AdvancedMaterialsTueAM04] Keynote
Sustainable Composite Structural Systems Incorporating Nature and Waste-based Materials
Togay Ozbakkaloglu¹ ; ¹, Adelaide, Australia;
Paper Id: 216 [Abstract]

It is now widely recognized that the conventional construction practices need significant improvements to be able to deliver sustainable urban development. Recent research has shown that the environmental impact and carbon footprint of structures can be significantly reduced through the use of i) more ecologically advantageous construction materials and ii) better designed structural systems. This talk will focus on one of the most promising of these structural systems, the so-called concrete-filled fiber reinforced polymer (FRP) tube system, where the concrete is filled into a prefabricated FRP tube to form a composite member that maximizes the advantages offered by both materials. The behavior of these composite members under different loading conditions will be presented. The development of next-generation high-performance, low-impact structural systems incorporating i) green composite tubes manufactured with natural or recycled plastic fibers and bio-based resins and ii) eco-efficient, waste-based concretes developed using recycled aggregate concrete and geopolymer technologies will also be discussed.

SESSION: AdvancedMaterialsTuePM-R7	Marquis International Symposium on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development(3rd Intl Symp. on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development)
Tue Oct, 24 2017	Room: Condesa IB
Session Chairs: Yasmine Sassa; Ephraim Eliav; Session Monitor: TBA

14:30: [AdvancedMaterialsTuePM05] Keynote
Electronic structure and energy spectra of relativistic quantum dots
Ephraim Eliav¹ ; ¹School of Chemistry, Tel Aviv University, Tel Aviv, Israel;
Paper Id: 276 [Abstract]

Excited, ionized, and electron attached states of 3-D parabolic quantum dots (often referred to as "artificial" atoms) are treated with the relativistic 4-component multi-reference Intermediate Hamiltonian Fock-space coupled cluster method. Collective excitations, spin-orbital splittings and quasi-degenerate structure of many open shell quantum dots are important, implying the need for accurate inclusion of dynamic and non-dynamic correlation effects along with first principles relativistic treatment of excitation spectra. The effects of correlation and relativity on structure and properties of n-electronic quantum dots (with 1<n<60) has shown by calculating them at the high and low electronic density regions as a function of the potential strength parameter. Electronic correlation plays an important role, especially for low values of confining potential, where it constitutes a few percent of the total energy. Relativistic effects are more pronounced, when large values of confining potential are used. The spin-orbit effects are more dominant than scalar relativistic effects. Unlike in real atoms, in quantum dots relativistic effects are not affected by the system�s size, but only by the confining potential strength. In contrast to the case of the 2-D confining potential, where the magic numbers representing a �closed shell� structure are 2, 6, 12, 20, etc., in the 3-D potential case, one can clearly identify the shell structure 1s, 2p, 3d, 2s, 4f, 3p, 5g, etc., which is similar to the shell structure of the periodic table. Recently few-electrons quantum dots, confined by 3-dimensional isotropic harmonic potentials, with impurities that mimic finite-size atomic nuclei, have been also studied. The relative weight of the correlation correction is significant for these systems, in particular for small systems with weak confining potentials and low impurity charges Z, where it constitutes up to 17% of the total energy. Strong nonadditivity is observed for some low values of Z and �, where correlation increases with Z and �, opposite to the effect of each of these potentials separately. A suggestion is made to investigate quantum dots with impurities off the dot centre.

15:00: [AdvancedMaterialsTueAM06] Keynote
Carbon Capture and Sequestration and the Future of Power: From Basic Research to Commercial Plants
Amr Henni¹ ; Roman Novikov² ; Oleg Pestov² ; ¹University of Regina, Regina, Canada; ², , ;
Paper Id: 286 [Abstract]

Global emissions from the energy sector stood at 32.1 gigatonnes in 2016, the same as the previous two years. Reduction in cost resulting from the use of new technologies, and concerns about climate change were the main forces behind a decoupling between greenhouse gas emissions and economic growth.1 This pause in emissions was the result of shifting from coal to natural gas, better energy efficiency, an increase in renewable power generation, as well as structural changes in the global economy.1 Unfortunately, this level of emissions is not enough to keep global temperatures from rising above 2°C. To take full advantage of the potential of new technologies and market forces, consistent and predictable emission policies are needed worldwide.1 Modern societies increasingly depend on reliable and secure energy supplies for their economic growth and prosperity. The global fight against climate change has become an essential feature in energy policy-making in many countries after the signing of the Paris Agreement. This paper will present an overview of the challenges faced in limiting the emissions of greenhouse gases based on the experience acquired by the Canadian province of Saskatchewan after building the first commercial size carbon capture plant in the world. The motives behind the investment in such technology, and the effects of emission standards imposed by the Federal government will be discussed. The urgency of taking actions now is evidenced, for example, by the addition of 130,000 megawatts in just three years by China which is equivalent to Canada's total generating capacity. In Saskatchewan, coal accounts for 44 per cent of fuel mix and produces 70 % of the greenhouse gas emissions. A state-of-the-art pilot plant and a pre-commercial plant were built/refurbished by the University of Regina, which largely facilitated the decision made by the provincial government and the local utility company (SaskPower) to move ahead with the full size commercial carbon capture plant (110 MW) that captures 1,400,000 tonnes of CO2 every year. Some operational issues faced by the new plant will be discussed. Countries are trying to maintain reliable and secure energy supplies while rapidly decarbonising power systems. This is indeed a key challenge for most countries throughout the world. Renewable energies such a wind and solar can only provide power part of the time. The need for coal, on the short term, seems almost inevitable in order not to cripple the local economies. The diverse and comprehensive research done at the University of Regina in the last two decades will be described. The research group is involved with all aspects of carbon capture dealing with the development of new solvents and packing material, screening of novel amines, ionic liquids, and Functionalized solvents. Research results and experience gained in building and operating the plant will now be shared with industry via the newly established CCS Knowledge Centre. The work undertaken at the centre will promote greater information sharing around the world, and ultimately, it will help bring down the costs of CCS technology.

15:30: [AdvancedMaterialsTueAM07] Invited
Novel two-dimensional graphene-like systems based on silicon allotropes
Yasmine Sassa¹ ; ¹Uppsala University, Uppsala, Sweden;
Paper Id: 284 [Abstract]

Since the discovery of graphene in 2004, numerous efforts were made to find materials hosting similar electronic properties (e.g., two-dimensional, Dirac cone, high Fermi velocity and carrier mobility). Already in the mid-90, a special focus on group-IV elements were addressed, and theoretical predictions of silicon (Si) analogs of graphite were explored. It is only in 2007 that the low buckled structure of silicon was confirmed to be stable by ab initio calculations and named silicene. However, contrary to graphene that can be generated by exfoliation of graphite, the elaboration of pure two-dimensional silicene requires more advanced methods. One successful approach is to deposit silicon on metal surfaces that do not interact strongly with the Si atoms. In this seminar, I will present recent advances in the synthesis, functionalization, electronic properties, and potential applications of the recently created novel silicon allotropes, namely hexasilabenzene-like nanodots, massively parallel pentasilicene-like nanoribbons exclusively composed of pentagonal Si tiles, and single- to multi-layer silicene sheets hosting Dirac fermions. Finally, I will also briefly discuss, silicene�s heavier cousins, germanene and stanene, whose strong spin orbit coupling lets anticipate the Quantum Spin Hall effect at room temperature and above.

16:00: [AdvancedMaterialsTueAM08] Keynote
Processing of Hierarchically Porous Adsorbents for Decarbonization
Farid Akhtar¹ ; ¹Lule� University of Technology, Lule�, Sweden;
Paper Id: 248 [Abstract]

Porous adsorbents such as Zeolites, metal organic frameworks, activated carbons, and aluminum phosphates are high surface area materials with great potential for catalysis and gas separation applications. The porous adsorbents are produced in powder form and assembled into mechanically strong hierarchically porous granules, with addition of significant volume fraction of clay binders for industrially important gas separations. In this regard, recent developments on binderless processing of porous adsorbent powders will be presented to produce volumetrically efficient hierarchically porous structured adsorbents, with properties to overcome the limitations of conventional adsorbent materials specifically for decarbonization of gas streams e.g. power-plant flue gas and biogas streams. We will demonstrate that pulsed current processing (PCP) is a versatile tool to structure porous adsorbents without addition of binders in form of monoliths and laminates and outperform conventionally structured zeolites in all aspects of post-combustion decarbonization of gas streams, including CO2 uptake capacity, high CO2 over CH4 and CO2 over N2 selectivity, rapid uptake and release kinetics and mechanical stability.

SESSION: AdvancedMaterialsWedAM-R7	Marquis International Symposium on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development(3rd Intl Symp. on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development)
Wed Oct, 25 2017	Room: Condesa IB
Session Chairs: Amr Henni; William Proud; Session Monitor: TBA

11:00: [AdvancedMaterialsWedAM01] Keynote
Microwave Damage and Processing of Cementitious and Geological Materials
William Proud¹ ; Gareth Tear² ; ¹Imperial College London, London, United Kingdom (Great Britain); ²Institute of Shock Physics, London, United Kingdom (Great Britain);
Paper Id: 335 [Abstract]

This talk will address the effect of microwave radiation on the strength of cementitious and geological materials. The absorption of microwaves by cements and rocks can result in severe degradation of material strength cause by micro-fracturing caused by differential expansion of components in these often complex composite materials. The talk will address the background of the technique, the materials appropriate to its use and also applications. Such applications include reduced energy milling, the removal of cement from environments where dust and fine particulates are to be avoided. Recent research on the ballistic efficiency of microwave damaged materials will also be presented. A discussion of the relevant numerical modelling required for these complex materials will be included.

11:30: [AdvancedMaterialsWedAM02]
Dynamic Impact Factor During Test of Cylindrical Shape Sample Under Shock Load
Levan Japaridze¹ ; Nikoloz Chikhradze² ; Fernand Marquis³ ; ¹LEPL Grigol Tsulukidze Mining Institute, Tbilisi, Georgia; ²LEPL Grigol Tsulukidze Mining Institute/Georgian Technical University, Tbilisi, Georgia; ³San Diego State University, Department of Mechanical Engineering, San Diego, United States;
Paper Id: 66 [Abstract]

The fundamentals challenges of shock loading impact are known as complex nonlinear problems with variable contact conditions. Even the simplified solution of these problems often bring in essential mathematical complexity. Therefore, and in practice we often use simplified analytical approaches to resolve engineering challenges even in not so sophisticated conditions. It is demonstrated that the static and dynamic contact forces in the interaction of solid bodies are reciprocally proportional and therefore it is possible to calculate the structure under impact loads using static methods and then the external forces, internal stresses and deformations, determined in such a way, are multiplied by the appropriate dynamic impact factor (DIF) for adequate model calculations. This is important for the design and applications in Defense, where the parameters of assessment of the impact resistance of solid materials and structural elements are understood as the ratio of the maximum dynamic to average static load. However, the DIF is taken by some authors also as ratio of the dynamic to static strength of the material and are often reported as a function of the strain rate. The tensile as well as shear strength are key material parameters in the analysis of structures under these conditions. They are generally determined using either a direct tensile test or an indirect splitting tensile test setup. Both tests are simple in concept, but have proven quite complicated to run in such a way that reliable results, independent of specimen and platens size, shapes, and boundary conditions, are often difficult to obtain. The indirect tensile testing method, known as the Brazilian Test, developed by Carneiro and Barcellos, has found widespread application because of its practical convenience for determining the static and dynamic tensile strength of materials. The Brazilian test has been reviewed and investigated by numerous scientists. However ever since the development of this method scientists have been interested in answering questions such as: why and when samples are not split along the loading diameter, as to the basic idea of the Brazilian test, but at some distance away from it; and how and why does the Brazilian test overestimate the tensile strength of these materials? In this paper we suggest formulas for the dynamic impact factor for Cylindrical Specimen applying the Standard Test Method for Splitting Strength of samples on the drop hammer facility and using the Split Hopkinson Pressure bar. The DIF for the application of dynamic compressive tests under impact load, using a hammer falling on the steel ball placed at the center of the top surface of cylindrical specimen are also considered. The DIF here is understood as the ratio of maximum dynamic load, internal stress and displacement from falling body related to the static load, stress and deformation, caused by the action of the weight of this body. The fundamental static challenges are solved by appling elasticity theory methods, and the analytical solutions are compared to the results of numerical modeling, conducted by "Rocksciense" under the Fase 2 program. These results show adequate agreement.

12:00: [AdvancedMaterialsWedAM03]
Mesoporous Silica Impregnated with Acetate-based Ionic Liquids for CO2 Capture
Amr Henni¹ ; Hussameldin Ibrahim¹ ; Mohanned Mohamedali¹ ; ¹University of Regina, Regina, Canada;
Paper Id: 287 [Abstract]

Tuning the interior pores of solid sorbents by introducing chemical functionality is considered an effective approach to increase the adsorption uptake and the separation selectivity of porous solids. Herein, this work examines, the synthesis of novel composite sorbents utilizing ionic liquid 1‑Butyl-3-methylimidazolium Acetate (bmimAc) and 1‑Ethyl-3-methylimidazolium Acetate (emimAc) impregnated into the pores of mesoporous silica (MCM-41). In order to study the effect of the ionic liquid impregnation on the properties of the composite sorbent, different bmimAc@MCM-41 and emimAc@MCM-41 samples were prepared using different ionic liquid loadings. To quantify the actual loadings of bmimAc and emimAc in the composite, thermogravimetric analysis (TGA) was performed and the difference in the thermal decomposition profiles was used to estimate the impregnation efficiency. Fourier transform infrared spectroscopy (FTIR) was carried out to confirm the impregnation process by detecting characteristic peaks corresponding to both the ionic liquid and the solid support MCM-41. The porous structure of the as-prepared composites were studied using N2 adsorption isotherms and it was found that the porosity of the samples was remarkably reduced due to the occupation of the pore surface with ionic liquids. The solubility of CO2 in bmimAc@MCM-41 and emimAc@MCM-41 composites at different pressures and temperatures was evaluated using intelligent gravimetric analyzer (IGA003). The composite sorbents exhibited substantially higher CO2 uptakes, selectivity, and adsorption enthalpy than the bare MCM-41 which is attributed to the presence of the reactive acetate ions inside the MCM-41 pores. This work provide insight into the preparation, characterization, and sorption performance of ionic liquid modified solid sorbents, which have great potential for CO2 removal from flue gas.

12:30: [AdvancedMaterialsWedAM04] Invited
New Technology for the Integrated Treatment of Industrial and Landfills Waste Water Using Iron and Aluminum Oxides Nanopowders
Mykola Monastyrov¹ ; Tetiana Prikhna² ; Gennadiy Kochetov³ ; Petro Talanchuk¹ ; Bernd Halbedel⁴ ; Aleksey Vasiliev⁴ ; Michael Eisterer⁴ ; Fernand Marquis⁵ ; ¹Open International University of Human Development "Ukraine", Kiev, Ukraine; ²Institute for Superhard Materials of the National Academy of Sciences of Ukraine, Kiev, Ukraine; ³Kiev National University of Building and Construction, Kiev, Ukraine; ⁴, , ; ⁵San Diego State University, Department of Mechanical Engineering, San Diego, United States;
Paper Id: 324 [Abstract]

The development of new and advanced methods for industrial wastewater treatment, combined with the intensification and operation of energy/resource efficient equipment for treatment processes, made possible their application to industrial water recycle plants and to produce commercial products from waste flows. An energy efficient process is proposed for the synthesis of new highly efficient sorbents - magnetic nano-powders (5 - 500 nm) of polyvalent iron oxides, aluminium oxides by electro erosion dispersion of iron/low-alloyed steel or aluminum granules, or chips with metal evaporation in plasma and further condensation in a working liquid. The nano-powders produced are efficient sorbents for wastewater contaminants— particularly ions of heavy and alkaline-earth (radioactive) metals—and will be used for comprehensive treatment of liquid industrial effluents, including wastewater and exhausted technological solutions. The advantages of the treatments by the nano-sorbents prepared on-line include their high activity, a high degree of removal of heavy metals ions from liquids, while the resulting sediments may be reliably utilised. The method is environmentally friendly, generates no technological wastewater discharges and air emissions, has low expenditure of energy, and requires comparatively small amount of sorbents.

SESSION: AdvancedMaterialsWedPM-R7	Marquis International Symposium on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development(3rd Intl Symp. on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development)
Wed Oct, 25 2017	Room: Condesa IB
Session Chairs: Fernand Marquis; Tetiana Prikhna; Session Monitor: TBA

14:30: [AdvancedMaterialsWedPM05] Keynote
The Main Stages of Development of Thermoelectricity in Ilia Vekua Sukhumi Institute of Physics and Technology
Guram Bokuchava¹ ; Fernand Marquis² ; Boris Shirokov³ ; Karlo Barbakadze⁴ ; Giorgi Darsavelidze⁵ ; ¹Ilia Vekua Sukhumi Institute of Physics and Technology, Tbilisi, Georgia; ²San Diego State University, Department of Mechanical Engineering, San Diego, United States; ³National Science Center �Kharkiv Institute of Physics and Technology, Kharkiv, Ukraine; ⁴Ilia Vekua Sukhumi Institute of Physics and Technology, Tbilisi123, Georgia; ⁵, Tbilisi, Georgia;
Paper Id: 148 [Abstract]

The stages of research, development and manufacturing of thermoelectric generators, at the Ilia Vekua Sukhumi Institute of Physics and Technology, for various applications are presented and discussed in this paper. Analytical and experimental research carried out at SIPT at the end of the 1950s revealed great prospects for manufacturing highly efficient thermoelectric generators for nuclear power plant (NPP) of terrestrial and space applications. In 1964, a thermoelectric generator was created in SIPT for the world's first NPP "Romashka". In 1965, single-cascade thermoelectric generator “BUK” and in 1969 two-cascade TEG “BUK” of the operation capacity of 2.8 kilowatts were developed and created at the Institute. From the beginning of 2000, intense work has been renewed at the Institute on the development of new high temperature thermoelectric materials and plants based on SiGe. The effect of reactor radiation on the thermoelectric characteristics of SiGe alloys and other materials was analyzed. Boron carbide of p-type and Si0,7Ge0,3 of n-type were selected for developing high temperature radiation resistant materials of thermoelectric elements. Currently new thermoelectric generators are being developed base on relatively inexpensive SiGe alloys, containing 5-10at%Ge.

15:00: [AdvancedMaterialsWedAM06] Invited
Lightweight Ti,Nb-Al-C MAX Phases-based Materials: Preparation, Structure, and Properties
Tetiana Prikhna¹ ; Vladimir Sverdun¹ ; Orest Ostash² ; Andriy Ivasyshyn² ; Myroslav Karpets¹ ; Thierry Cabioc'h³ ; Lucyna Jaworska⁴ ; Patrick Chartier³ ; Viktor Moshchil¹ ; Jolanta Cyboroń⁴ ; Tetiana Zimych¹ ; Alexandra Starostina¹ ;⁰ ; Fernand Marquis⁵ ; Andrzej Kalinka⁶ ; Andrzej Kalinka⁶ ; Sergey Dub⁶ ; Anatoliy Kostornov⁶ ;⁰ ;⁰ ; ¹Institute for Superhard Materials of the National Academy of Sciences of Ukraine, Kiev, Ukraine; ²Karpenko Physical-Mechanical Institute of the National Academy of Sciences of Ukraine, Lviv, Ukraine; ³Universite de Poitiers, CNRS/Laboratoire PHYMAT, Chasseneuil Futuroscope Cedex, France; ⁴The Institute of Advanced Manufacturing Technology, Krakow, Poland; ⁵San Diego State University, Department of Mechanical Engineering, San Diego, United States; ⁶, , ;
Paper Id: 323 [Abstract]

This paper presents and discusses the interrelations between preparation, structure, and properties of Ti–Al–C MAX-phases-based materials of the 211 and 312 structural types, and materials based on (Ti, Nb)–Al–C solid solution of the 312 type. The materials were prepared in vacuum under 1.6×10-3 Pа, by pressureless synthesis in argon under 0.1 MPa, hot pressing under 30 MPa, and high temperature–high pressure sintering at 2 GPa. The materials structure was investigated using X-ray with Rietveld refinement, SEM and Auger spectroscopy. The physical and mechanical properties: hardness, fracture toughness, bending and compressive strength, Young modulus, logarithmic decrement of damping oscillations, friction coefficient, strength stability in hydrogen at 600 oC, long-term oxidation resistance in air at 600 oC, 1000 h, stability in radiation environment and electrical resistivity were measured. These properties make these materials very promising as interconnectionion material for hydrogen fuel cells, damping and current collector materials, polishing powders for jewelry stones, and many other applications.

15:30: [AdvancedMaterialsWedAM07]
FTIR Spectroscopy of Strongly Absorbing Molecules Adsorbed on Highly Scattering Disperse Materials
Alexey Tsyganenko¹ ; Roman Novikov² ; Oleg Pestsov³ ; ¹St.Petersburg State University, St. Petersburg, Russian Federation; ²St.Petersburg State University, St.Petersbur, Russian Federation; ³St.Petersburg State University, St.Petersburg, Russian Federation;
Paper Id: 379 [Abstract]

Most disperse solids are highly scattering objects. Here we analyze the difficulties in spectral studies of such materials, and suggest ways on how to work with them. To see the spectra of adsorbed species, the background spectrum of the sample before adsorption has to be subtracted. However, for very intense bands of gases adsorbed on strongly scattering media, the scattering coefficient changes near the absorption bands, following the variations of refraction index. The problem is illustrated by the spectrum of CO2 adsorbed on a thin layer of NaX zeolite. In order to reduce the effect of scattering it is possible to register the spectrum of "diffuse transmittance" when only the light deviated due to scattering reaches the detector. Combining the usual spectrum with such one, it is possible to reconstruct the pure absorption spectrum. Another way to lower the effect of scattering is to immerse the sample in a liquid, such as liquid oxygen. Spectrum of NaX with adsorbed CO2 submerged in O2 displays a complex structure of the band, more visible after subtraction of the initial spectrum. The structure is not seen at lower coverages, nor in the region of admixed 13CO2 molecules. From this we have concluded that it is not the presence of different sites, but the resonance dipole-dipole interaction between the adsorbed molecules. This effect was shown to determine the band shape of adsorbed SF6, so that the spectra of interacting molecules provide information about the geometry of adsorbed layer. Due to low frequencies the effect of scattering here is negligible, but weak distortions of band contours can be caused by the reflection that also depends on the refraction index. The presented results show that FTIR spectroscopy still remains a promising method for the studies of surface properties of dispersed solid materials.

16:00: [AdvancedMaterialsWedAM08] Keynote
Manganese Oxide Nanomaterials for the Oxygen Reduction Reaction in Alkaline Electrolyte
Timothy Lambert¹ ; ¹Sandia National Laboratories, Albuquerque, United States;
Paper Id: 351 [Abstract]

Fuel cells and metal-air batteries are promising electrochemical technologies for supporting increased grid penetration of intermittent renewable power such as solar and wind. For devices that utilize ambient or pure O2 as a fuel for the discharge reaction at the cathode, the kinetic limitations of the oxygen reduction reaction (ORR) must be addressed to increase device capacity/efficiency and deliver electricity at a competitive levelized cost. Electrocatalysts that catalyze the ORR at low overpotential via an efficient 4 e� pathway that are prepared from abundant elements and have excellent durability are needed. Transition metal oxides (TMOs) represent one class of active and abundant electrocatalyst materials. The TMO mediated ORR occurs at the three phase boundary between O2 (gas), electrolyte (liquid) and the surface atoms of the TMO (solid). Both intrinsic and extrinsic modifications to an electrocatalyst are viable methods to increase electrocatalyst performance. Manganese oxides (MnOx) are particularly attractive as TMOs due to their natural abundance, relatively low cost, and benign nature. Furthermore, the ability to tailor the size, morphology, stoichiometry, crystalline phase along with the fact that manganese can exist in numerous valences (+2, +3, +4, +6, and +7) provides a real opportunity to drastically improve MnOx mediated oxygen electrocatalysis. Recent studies into MnOx and MnOx hybrid structures have provided for a better understanding of the parameters that are important in achieving more effective ORR in aqueous alkaline electrolyte and have resulted in electrocatalysts that have activity rivaling the more expensive and rare Pt-based systems. For example, Cu- and Ni-metal ion doping studies of α-MnO2 nanowire have revealed that the Mn(3+)/Mn(4+) couple is the mediator for the rate-limiting redox-driven O2/OH− exchange during ORR and that metal ion doping leads to increased activity. O2 adsorbs via an axial site (the eg orbital on the Mn3+ d4 ion) at the surface or at edge defects of the nanowire, while the increase in covalent nature of the nanowire with metal-ion doping leads to stabilization of O2 adsorbates and faster rates of reduction. Examining the activity for both Ni−α-MnO2 and Cu−α-MnO2 materials indicates that the extent of Mn(3+) at the surface of the electrocatalysts dictates the activity trends within the overall series. In an effort to also understand the role of electrical conductivity on the electrocatalytic process, single-nanowire resistance/conductivity measurements have also been obtained. In each case, modifications that have provided for an increase in nanowire conductivity have also led to an increase in electrocatalysis; however, the data also suggests that the ORR charge transfer resistance value, as determined by electrochemical impedance spectroscopy, is a better indicator of the cation-doping effect on ORR catalysis than the electrical resistance of the nanowire. Carbon-catalyst blends are typically used in actual ORR application due to the requirements of high electrochemical activity and high electronic conductivity. Hence, in order to expand the utility of the MnOx nanomaterials, more conductive hybrid structures with graphene or semiconducting polymers, and the development of new low carbon content core/shell MnOx/C structures have also been examined, resulting in electrocatalysts with properties rivaling that of the commercial Pt/C benchmark. Several aspects of this work will be presented. This work was performed, in part, at the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science. Sandia National Laboratories is a multi-mission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525.

SESSION: AdvancedMaterialsThuAM-R7	Marquis International Symposium on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development(3rd Intl Symp. on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development)
Thu Oct, 26 2017	Room: Condesa IB
Session Chairs: Ryuichi Tomoshige; A.G. Mamalis; Session Monitor: TBA

11:00: [AdvancedMaterialsThuAM01] Keynote
Trends and Developments in Advanced Manufacturing from Macro- to Nanoscale
A.g. Mamalis¹ ; ¹Demokritos National Center for Scientific Research, Athens, Greece;
Paper Id: 133 [Abstract]

In manufacturing technology six main elements may be identified, with the central one being the enforced deformation to the material, i.e. the processing itself, brought about under consideration of the interface between tool and work piece, introducing interdisciplinary features for lubrication and friction, tool materials properties and the surface integrity of the component. The as-received material structure is seriously altered through the deformation processing, therefore, materials testing and quality control before and after processing are predominantly the areas of interest to the materials scientist. The performance of the machine tools together with the tool design are very important, whilst, in today's computer age, the techno-economic aspects, like the notion of manufacturing systems regarding automation, modeling and simulation, rapid prototyping, process planning and computer integrated manufacturing, energy conservation and recycling as well as environmental aspects are important in manufacturing engineering. The quality of manufactured parts is mainly determined by their dimensional and shape accuracy, the surface integrity, and the functional properties of the products. The development of manufacture engineering is related to the tendency to miniaturization and is accompanied by the continuous increasing of the accuracy of the manufactured parts. Note that, the two main trends towards a miniaturization of products are the ultra precision and the nanotechnology processing. The former is carried out by machine tools with very high accuracy, while the latter is defined as the fabrication of devices with atomic or molecular scale precision by employing new advanced energy beam processes that allow for atom manipulation. Therefore, the design and manufacture of the nanostructured materials (carbon nanotubes and nanoparticles), having every atom or molecule in a designated location and exhibiting novel and significantly improved optical, chemical, mechanical and electrical properties, are made possible. Recent trends and developments in advanced manufacturing from macro- to nanoscale in the important engineering involve topics from industrial, research and academic point of view. Some of these topics are: nanotechnology/ultra precision engineering and advanced materials under low/high speed impact and shock loading, with industrial applications to net-shape manufacturing, bioengineering, energy and transport. As an outcome of the very extensive work over 40 years on these fields performed by the author and his research international team, these topics are presented and discussed in the present Keynote Lecture of the SIPS 2017 3rd International Symposium on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development.

11:30: [AdvancedMaterialsThuAM02] Invited
Lightweight Ceramics Based on Aluminum Dodecaboride (AlB12)
Tetiana Prikhna¹ ; Pavlo Barvitskiy¹ ; Sergey Dub¹ ; Vladislav Domnich² ; Myroslav Karpets¹ ; ¹Institute for Superhard Materials of the National Academy of Sciences of Ukraine, Kiev, Ukraine; ²Department of Materials Science and Engineering, Rutgers, The State University of New Jersey, Piscataway, United States;
Paper Id: 322 [Abstract]

Lightweight shockproof ceramics based on aluminum dodecaboride (AlB12) hold great potential for a wide range of applications, such as protective armor or constructional ceramics for nuclear power plants. Interest in higher aluminum borides and aluminum dodecaboride in particular exists for a long time. However, these materials have not found widespread use because of the lack of industrial and semi-industrial technologies for their powder production. At present, aluminum dodecaboride powders are produced in small amounts in laboratories. In this regard, the processes of sintering of aluminum borides and properties of the consolidated materials on their basis have not been sufficiently studied and practically are not described in the literature. Higher aluminum borides were studied from the point of view of their use as solid fuel, abrasives, explosives and additives to the boron-carbide-based materials. The results of the complex investigation of AlB12-based ceramics sintered from submicron -AlB12 powder at varying pressures and temperatures will be discussed. The effect of C and TiC additions on the structure and mechanical properties of the resultant products is also investigated. Materials sintered from -AlB12 powder at 30 MPa, 2080-1950oC were found to contain 94-98% of -AlB12 ( = 2.53-2.58 g/cm3) and have the following mechanical properties: hardness, HV (49 N) = 24.1 GPa; fracture toughness, K1c (49 N) = 4.9 MPa&#183;m0.5; bending strength, Rbs = 336 MPa; and compressive strength, Rcs = 378 MPa. The sintering pressure of 2 GPa resulted in the formation of dense -AlB12 at 1200-1400oC with much lower hardness, HV (49 N) = 15.1-15.9 GPa, and higher fracture toughness, K1c (49 N) = 5.6  1.3 MPa&#183;m0.5. Addition of 17% C to the -AlB12 powder changed the phase composition of the material sintered at 30 MPa, 1950 &#176;C to 86% AlB12C2 with  = 2.67 g/cm3 and lead to the increase of K1c (49 N) to 5.9 MPa&#183;m0,5 and Rcs to 423 MPa. The material sintered from -AlB12 powder at 30 MPa and 1950 &#176;C with 20 % TiC addition contained 74% AlB12C2, 22% TiB2, 4% Al2O3, had high mechanical characteristics, HV (49N) = 28.9 GPa, K1c (49 N) = 5.2 MPa&#183;m0.5, Rbs = 633 MPa and Rcs = 640 MPa, but its density increased to =3.2 g/cm3. Addition of 12% TiC allowed formation of the material with  = 2.74 g/cm3, HV (49N) = 19.4 GPa, K1c (49 N) = 7 MPa&#183;m0.5, and phase composition of 49% AlB12C2, 34% -AlB12, 14% TiB2. The SEM study revealed even more complicated structures, possibly due to the formation of solid solutions.

12:00: [AdvancedMaterialsThuAM03]
Preparation of Multilayered Composites by Hot Explosive Welding Techniques
Ryuichi Tomoshige¹ ; Seiichiro Ii² ; Yasuhiro Morizono³ ; ¹Sojo University, Kumamoto, Japan; ²National Institute for Materials Science (NIMS), Tsukuba, Japan; ³Kumamoto Universrity, Kumamoto, Japan;
Paper Id: 83 [Abstract]

Demonstrative experiments have been performed to get multilayered joints consisting of titanium diboride, titanium nickel, and steel by a novel hot explosive welding technique. The technique was combined combustion synthesis, which is spontaneous exothermic reaction with very high temperature, with explosive shock welding. TiNi intermetallic layer was inserted between ceramics and steel layers for relaxation of thermal stress at elevated temperatures. Obtained joints showed cohesive and strong bonded interfaces. Successful joining depended upon the conditions of time window from initiation of combustion synthesis to blasting of explosives, the kinds of materials to buffer the reflective shock waves, and a quantity of explosives. After rapid quenching test of the specimen from a furnace kept at 500 °C to water at ambient temperature, no exfoliation was observed at the interfaces. From these results, it was revealed that TiNi with pseudo elastic effect was effective to relax the thermal stress generated at the interface between different materials.

12:30: [AdvancedMaterialsThuAM04] Keynote
Multicharged Ion Sources for Implantation and Deposition
Hani Elsayed Ali¹ ; ¹Old Dominion University, Norfolk, United States;
Paper Id: 106 [Abstract]

Ion deposition and implantation are key steps in microelectronic and nanofabrication. Yet, at the present time, almost all industrial ion processing is based on the use of singly charged ions. Recent technological advancements have demonstrated the effectiveness of the use of multicharged ions (MCIs) for deposition and implantation. MCIs carry substantial potential energy, which, depending on the ion charge state, can be considerably more than its kinetic energy. The MCI interaction with the solid involves the release of this potential energy in addition to its kinetic energy. Ultraslow highly charged ions deposit significant energy at an atomic layer scale causing surface processes not possible with singly-charged ions. MCIs have applications in areas beyond nanotechnology. These include highly sensitive secondary ion mass spectrometry for chemical analysis, and applications in biomedicine ranging from generation of monoenergetic x-rays for diagnostic imaging to the generation of highly charged carbon ions for cancer therapy. The availability of commercial MCI sources would expand applications of MCIs in diverse areas. Most of the installed MCI instruments are of the electron cyclotron resonance ion source (ECRIS) and electron beam ion source (EBIS) type and are in Europe, Japan and the USA. Laser MCI sources are becoming more accepted as potential ion sources for implantation and deposition. MCI technology and its applications will be reviewed with emphasis on newly developed laser MCI sources.

SESSION: AdvancedMaterialsThuPM-R7	Marquis International Symposium on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development(3rd Intl Symp. on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development)
Thu Oct, 26 2017	Room: Condesa IB
Session Chairs: Hani Elsayed-Ali; Sivakumar Manickam; Session Monitor: TBA

14:30: [AdvancedMaterialsThuPM05] Keynote
Cavitation � A Cleaner, Greener, Energy-efficient and Sustainable Processing Technique for Nanomaterials of Wider Technological Applications
Sivakumar Manickam¹ ; ¹UNIVERSITY OF NOTTINGHAM, KUALA LUMPUR, Malaysia;
Paper Id: 225 [Abstract]

Much effort is currently being devoted to the study of nanomaterials including metallic, inorganic and polymeric materials mainly due to their wide variety of applications. Particularly, nanoparticles have generated a large research effort because of their properties which differ markedly from those of their bulk counterpart. The growing interest in nanostructured materials calls for the development of processing techniques that allow for the tailoring of specific features of the nanometer size. Many different approaches have been applied to the fabrication of nano-entity, such as co-precipitation, microemulsion, supercritical sol-gel processing, hydrothermal synthesis, or high energy ball milling. Directed to the problems of these conventional methods, new synthetic methods have received increased attention in recent years. Cavitation, an approach for synthesizing a variety of compounds at milder conditions is already the rage in materials technology. Cavitation is the formation, growth, and implosive collapse of vapor bubbles in a liquid created by fluctuations in fluid pressure. Due to various advantages, cavitation is widely used in nanomaterials generation. The importance has also been demonstrated not only for the synthesis but also to control shapes and morphologies of nanomaterials and processing techniques such as encapsulation, coating and nanocomposites. Due to its wide advantages, in the last few years, the technique has also started to catch on in the materials science community as a way to speed the discovery of everything in this area. In this presentation, various advanced nanomaterials obtained using this novel technology will be presented. Also, how this technology is effectively utilized in a way that allows to produce particles with characteristics as uniform particle size and crystalline structure will be discussed.

15:00: [AdvancedMaterialsThuAM06] Invited
II-VI Semiconductor Thin Films CdZnTe Ternary Compound for Energy Applications
Nazar Abbas Shah¹ ; ¹COMSATS Institute of Information Technology (CIIT), Islamabad, Pakistan;
Paper Id: 217 [Abstract]

The research work is based on the growth of CdZnTe thin films by thermal evaporation technique using layer by layer method. After depositing the CdTe layer, a thin layer of ZnTe is deposited on already CdTe layer for the formation of ternary IIB-VIA semiconductor compound CdZnTe thin films by the same technique. After annealing, these CdZnTe thin films samples are characterized structurally, optically and electrically. The CdZnTe thin films with band gap energy of 1.45�1.75 eV are of current interest because of their promising applications as the top device of a two-cell tandem structure in high-efficiency thin-film solar cells and of X-ray and gamma ray detectors. Cadmium sulfide (CdS) powder (Aldrich 99.99%) is used to fabricate CdS thin films and mixed with pure zinc (Zn) powder for the CZS thin films. An angle resolved transmission show a very interesting behavior that at higher angles, the transmission is decreased in UV and VIS regions but increase in the IR region, which confirme that these thin films are more transparent in the IR range at higher angles. These results including structural, surface morphology and the optical properties are strongly correlated which validate this argument that Zn can be diffused by mechanical mixing method and the CZS thin films could be used as a window layer instead of CdS having wide band gap. Thin films of CdTe with thickness of 1-3 microns can convert sunlight energy into electrical energy. Zinc Telluride (ZnTe) polycrystalline thin films were fabricated on corning glass substrates by Close Spaced Sublimation (CSS) technique under vacuum. More than 80% transmission in the visible range makes it suitable materials for solar cell applications. Electrical results show that conductivity of CdZnTe thin films varies from 4.66 x10-06 (�-cm)-1 to 8.20 x10-11 (�-cm)-1. Due to its direct energy band gap nature, it is ideal for efficient thin film based solar cells. Larger grains of CdZnTe are formed due to CSS technique, as compared CdZnTe thin films prepared by other techniques, which is important for solar cell applications. The effects of radiations on the CdZnTe thin films can explore a new pathway for researchers.

SESSION: AdvancedMaterialsMonAM-R8	Marquis International Symposium on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development(3rd Intl Symp. on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development)
Mon Oct, 23 2017	Room: Maria Luisa & Maria Fernanda
Session Chairs: Sandeep Thakare; Parvez Alam; Session Monitor: TBA

11:00: [AdvancedMaterialsMonAM01] Keynote
Biological Stick-slip Mechanisms: What Impact Does This Have on Materials Mechanics and Biomimetic Design?
Parvez Alam¹ ; Lilja Alam² ; ¹University of Edinburgh, Edinburgh, United Kingdom (Great Britain); ²International Baccalaureate, Varissuo, Finland;
Paper Id: 227 [Abstract]

Biomimetic design has gained popularity and momentum in recent years as advances in characterisation have allowed scientists and engineers to better comprehend how biological materials function. One area that stands out in view of materials mechanics is the stick-slip mechanism, which can occur at molecular, mesoscopic and macroscopic length scales. As consequence of hierarchical stick-slip mechanisms, biological materials are able to absorb, dissipate and redistribute mechanical energy when loaded or impacted. As a result, biological materials are able to withstand fracture more effectively than engineering materials. This keynote lecture paper aims to bring to light the combination of stick-slip and structural hierarchy in biology, and the means by which they collectively heighten the energy absorptive capabilities of biological materials. The paper will then draw upon recent advancements in the characterisation of biological materials and shall elucidate a new macroscale stick-slip mechanism that we have recently discovered in Haliclona sp. that onsets double strain-hardening behaviour. Following a holistic opinion piece on stick-slip and materials mechanics, we will draw focus to the impact biological stick-slip mechanisms may have on biomimetic material design. The paper will conclude by summarising the hurdles we face as materials scientists, in the processing and manufacturing of materials with stick-slip design at every length scale.

11:30: [AdvancedMaterialsMonAM02]
An Insight into the Driving Force of the σ Bond Cleavage on the Ge=O Bond of Germanone by the Combination of the Quantum Mechanical and Molecular Dynamics Methods
Toshiaki Matsubara¹ ; ¹Kanagawa University, Hiratsuka, Japan;
Paper Id: 222 [Abstract]

The driving force of the σ bond cleavage on the Ge=O bond of germanone is examined by means of a quantum mechanics and molecular dynamics hybrid method. In the case of H2O, the H2O at first coordinates to the Ge before the O-H σ bond cleavage. This coordination induces a heterolytic O-H σ bond cleavage. The kinetic energy significantly concentrates on the coordinated H2O oxygen so that the coordinate bond strongly oscillates. This oscillation further enlarges just before the O-H σ bond cleavage and the kinetic energy of this oscillation would be transmitted to the normal mode of the O-H bond breaking. The coordination and the vibration of the H2O oxygen were thought to be important driving forces of the O-H σ bond cleavage.

12:00: [AdvancedMaterialsMonAM03] Invited
Experimental Investigations on Electron Beam Welding of SAE 15B41 Steel
Sandeep Thakare¹ ; Valmik Bhavar² ; Prakash Kattire² ; Sachin Patil³ ; Vinayak Pawar² ;⁰ ; ¹Bharat forge limited, pune, India; ², , ; ³Bharat forge ltd,pune, PUNE, India;
Paper Id: 211 [Abstract]

Electron beam welding (EBW) has been developed for many years and is being increasingly implemented in various industrial applications. Since EBW is a fusion-welding process, metallurgical phenomena associated with fusion still exist and cause difficulties. However, these are often minor compared to those in conventional arc welding. The aim of this paper is to find out the influence of electron beam welding upon the mechanical properties and microstructure of SAE 15B41H. Plates with 25 mm thickness have been butt welded with electron beam without using filler material. The mechanical properties and microstructure in the area of base metal, heat affected zone, and fusion zone was studied. The microstructure in the fusion zone consists of martensite, ferrite and carbides. The microhardness in the fusion zone is on the higher side compared to base metal. The U.T.S and Y.S. of EBW is higher and % elongation is lower as compare to base metal.

12:30: [AdvancedMaterialsMonAM04]
Predicting Glass-forming Ability in Bulk Metallic Alloys
Valeriy Sidorov¹ ; ¹Ural State Pedagogical University, Ekaterinburg, Russian Federation;
Paper Id: 219 [Abstract]

Bulk amorphous metallic alloys are beginning to be used due to their unique mechanical, corrosion, and magnetic properties. However, the existing criteria of glass forming ability (GFA) cannot predict in advance the tendency to amorphization nor the influence of doping elements on it. Moreover, these criteria can be calculated only when amorphous alloy is prepared, and its kinetic of crystallization is examined. It becomes necessary to introduce a new criterion, that includes information about the melt before quenching. In this regard, the influence of Ga, Zr, Sn and Sb in small additions on GFA of CoFeNbBSi metallic alloys, with different compositions of the base elements have been investigated. The bulk metallic glasses in the form of rods with diameter of 1 - 4 mm were prepared by the cast suction method and by melt injection into water cooled copper mold. The research has been carried out by means of X-ray diffraction, TEM and DSC studies, as well as electrical resistance and magnetic susceptibility measurements in crystal and liquid states. The additions of Ga and Zr were found to improve glass forming ability of the alloys, whereas Sn and Sb additions decrease it. It was shown that the paramagnetic Curie temperature in the melt is able to describe quantitatively the influence of the additions: in case the addition increases it, the GFA improves.

SESSION: AdvancedMaterialsMonPM-R8	Marquis International Symposium on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development(3rd Intl Symp. on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development)
Mon Oct, 23 2017	Room: Maria Luisa & Maria Fernanda
Session Chairs: Demosthenes Koutsogeorgis; Tetiana Prikhna; Session Monitor: TBA

14:30: [AdvancedMaterialsMonPM05] Keynote
Laser Processing of Thin Film Materials: A Versatile Tool for Controlling Materials' Characteristics.
Demosthenes Koutsogeorgis¹ ; ¹Nottingham Trent University, Nottingham, United Kingdom (Great Britain);
Paper Id: 356 [Abstract]

Humankind has always been fascinated by light. Besides just mesmerising us, light can also be a powerful tool for manipulating matter and its characteristics. Light is no longer limited to just a diagnostic tool for probing materials' characteristics, but has also become the engine for manipulating materials' properties. This presentation is about using light in order to manipulate matter and its characteristics. A 20 year journey at Nottingham Trent University will be presented, exploring the powerful transformations that light can create in matter and the subsequent permanent changes in characteristics that can be induced. Laser annealing is presented as a viable alternative to conventional thermal annealing, enabling the use of temperature sensitive substrates without any loss in the effectiveness of a high temperature treatment. A highly localised and ultra rapid thermal treatment is achieved, targeting the material of choice only and with minimal influence onto the surrounding materials. In many cases, the desired treatment can be delivered to the targeted materials under the surface of covering layers. Examples will be presented were laser annealing has made possible the treatment of thin films for effective dopant activation, control of crystalline structure, fabrication of plasmonic nanoparticles on or under the surface of dielectrics, photo conversion of sol-gel precursors to oxides of high quality.

15:00: [AdvancedMaterialsMonAM06]
Fiber Reinforced Composites on the Base of Epoxy-polysulfide Matrix for Wind Energy Systems
Nikoloz Chikhradze¹ ; Fernand Marquis² ; Guram Abashidze³ ; ¹LEPL Grigol Tsulukidze Mining Institute/Georgian Technical University, Tbilisi, Georgia; ²San Diego State University, Department of Mechanical Engineering, San Diego, United States; ³G. Tsulukidze Mining Institute, Tbilisi, Georgia;
Paper Id: 58 [Abstract]

To date, one of the major tasks in effective energy is to increase the wind energy's share in the world energy balances. It is expected that, by 2020, this share will be increased up to 12%. In the energy supply of rural and remote regions, the small wind energy systems can play a very important role. In order to further enable this ecologically-friendly type of energy, which is mainly focused on private customers, the energy efficiency of wind turbines needs to increase, and the cost of production of stable energy, needs to decrease, even at moderate winds. In order to achieve these goals, we propose a new material for the manufacture of turbine blades, where the reinforcing is achieved by hybrid structures containing carbon, basalt and other type of fibers. In addition, we propose modified epoxy resins to be used as matrix, containing amplifying fillers with a high modulus of elasticity in the form of ultra-dispersive powders. This presentation demonstrates the physical, mechanical and deformation characteristics of new material, as well as the results of its testing in atmospheric conditions (dry climate zone, subtropical type). The proposed time extrapolation of a wind turbine in atmospheric conditions estimated for 35 years, causes the reduction of the coefficient of operating condition of composites being considered in present work up to 0.70 °C 0.85.

15:30: [AdvancedMaterialsMonAM07] Keynote
Multifunctional Chromogenic Sensors Enabled by Novel Multi-Stimuli-Responsive Shape Memory Polymers
Peng Jiang¹ ; ¹University of Florida, Gainesville, United States;
Paper Id: 199 [Abstract]

Here we report novel chromogenic sensors that exhibit easily perceived color changes when exposed to different external stimuli, such as pressure, shear stress, ballistic impact, a large variety of vapors and liquids, heat, and acoustic wave. These multifunctional sensors are reusable, inexpensive, light weight, consuming no electrical power, and very small footprint, promising for a spectrum of applications ranging from user-friendly environmental monitoring to specifically sensing chemicals. This new technology is enabled by integrating scientific principles drawn from two disparate fields that do not typically intersect &#61485; the fast-growing photonic crystal and shape memory polymer (SMP) technologies. The active components of the SMPs are thin macroporous photonic crystal layers (only a few &#61549;m thick) which are fabricated by using self-assembled, 3-D highly ordered colloidal crystals as structural templates. This microscopic thin-film configuration renders orders of magnitude faster response speed than bulky SMP samples in traditional applications. In addition, by leveraging easily perceived color changes associated with the unconventional all-room-temperature shape memory cycles enabled by the recent discovery of a new series of multi-stimuli-responsive SMPs, sensitive and specific detection of an analyte in a multicomponent solution, such as ethanol in gasoline with a detection limit of 10 ppm, has been demonstrated. Moreover, we have demonstrated the sensitive detection of a trace amount of benzene-toluene-xylene (BTX) in contaminated water using these novel chromogenic sensors. Furthermore, our approach provides a simple and sensitive optical technique for investigating the intriguing shape memory effects at nanoscale, which is a topic that has received little examination.

16:00: [AdvancedMaterialsMonAM08]
Biohydrogen Production from Wastes is Advanced Technology for Energy Economy
Armen Trchounian¹ ; ¹Yerevan State University, Yerevan, Armenia;
Paper Id: 220 [Abstract]

Hydrogen (H2) is effective, ecologically friendly, and renewable source of energy, and its production has great future potential for the energy economy. One of the methods is the production of H2 by bacteria (biohydrogen) performing dark- (Escherichia coli) and light-fermentation (Rhodobacter sphaeroides). Biohydrogen has advantages of high yield, low temperature, and cheap substrates. To develop biotechnology, mixed cultures of E. coli and Rh. sphaeroides wild type strains were studied, and wet distillers grains as cheap substrate was used. Mixed cultures can produce H2 with 1.5-3 fold higher yield than pure cultures of each bacterial species. Moreover, H2 production can be observed in prolonged continuous culture (up to 96 h). The disproportion between rates of substrates uptake and fermentation of end products formation in the mixed culture can change pH; this might change activity of responsible enzymes, hydrogenases (Hyd) and formate hydrogen lyases consisted of Hyd 3 and Hyd 4 in E. coli and nitrogenases and Hyd in Rh. sphaeroides improving H2 production. The pre-treatment of distillers grains was required. In addition, glycerol as a by-product of biodiesel production and brewery spent grains were also used for H2 production by E. coli. H2 yield could be significantly stimulated depending on pH, concentration of substrates and some mutants with defective Hyd. These findings on biohydrogen production by bioconversion of organic wastes are of great interest for future energy economy. They would lead to spread up a strategy for sustainable and renewable energy production from available and cheap wastes.

SESSION: AdvancedMaterialsTueAM-R8	Marquis International Symposium on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development(3rd Intl Symp. on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development)
Tue Oct, 24 2017	Room: Maria Luisa & Maria Fernanda
Session Chairs: Nikoloz Chikhradze; Session Monitor: TBA

11:00: [AdvancedMaterialsTueAM01]
Synthesis and Mechanical Alloying of Ti-Al-B-C Powders
Mikheil Chikhradze¹ ; Fernand Marquis² ; Nikoloz Chikhradze³ ; ¹Georgian Technical University, Tb ilisi, Georgia; ²San Diego State University, Department of Mechanical Engineering, San Diego, United States; ³LEPL Grigol Tsulukidze Mining Institute/Georgian Technical University, Tbilisi, Georgia;
Paper Id: 74 [Abstract]

Composites, fabricated in Ti-Al-B-C systems are characterized by unique physical and mechanical properties. They are attractive for aerospace, power engineering, machine, and chemical applications. In addition, aluminum matrix composites (AMCs) have great potential as structural materials due to their excellent physical, mechanical, and tribology properties. The coarse crystalline Ti, Al, C powders and amorphous B were used as precursors. Blends with different compositions of Ti, Al and C were prepared. Determination and selection of blend compositions were made on the base of phase diagrams. The powders were mixed according the selected ratios of components to produce the blend. Blends were processed in high energetic “Fritsch” Planetary premium line ball mill for homogenization, mechanical alloying, syntheses of new phases, and ultrafine particles formation. The blends’ processing time was variable and fluctuated between 1 to 10 hours. The optimal technological regimes of blend preparation were determined experimentally. Ball milled blends were investigated in order to determine properties after milling and mechanical alloying. Ultrafine bland were consolidated using explosive compaction technology. The paper also includes: the peculiarities of the milling process; shock compaction of compositions described above; optimal technological parameters for dry mechanical alloying, explosive compaction, and formation of bulk ultrafine-grained composites; and synthesis of new phases.

11:30: [AdvancedMaterialsTueAM02] Keynote
Layer-by-Layer Assembled Nanocomposite Films for Energy Systems
Maria A. G. Soler¹ ; ¹Universidade de Brasilia, Brasilia, Brazil;
Paper Id: 77 [Abstract]

The assembly of nanoobjects or "building blocks" already displaying useful functions, leads to new generations of multifunctional nanomaterials with interesting fundamental properties, as well as promising applications in energy conversion, storage devices, and chemical sensors. Moreover, bottom-up approaches with advantages of cost effective, large area fabrication, no-limitation on substrate type or shape, simple processes and automation facilities, such as the layer-by-layer (LbL), allow designing of all-organic and organic/inorganic hybrid multilayers with nanometric control over morphology and architecture. Resulting nanohybrid structures not only combine attractive functionalities of each component but also show synergetic characteristics. The LbL technique is based on the sequential adsorption of ultrathin multilayered films of nanoobjects (conjugated polymers, proteins, clays and minerals, DNA, carbon nanotubes, graphene, and metal or metal oxide nanoparticles), from their colloidal solutions to solid surfaces. This talk will summarize new initiatives that have been more recently proposed for colloidal nanoparticles and respective arrays with polyelectrolytes, in either mono and multilayered LbL structures. As a main role, the LbL processing has enabled one to control the volume fraction and spatial distribution of nanoparticles within the multilayers, which in turn permits one to reach synergistic effects and pre-designed end properties. For example, the charge transport within such films is sensitive to nanoparticle-polyelectrolyte interfaces that can be precisely controlled by physicochemical parameters of the LbL assembly. Applications leading to future developments of capacitors electrodes and chemical sensors will be presented and discussed.

12:00: [AdvancedMaterialsTueAM03]
Meso-Scale Time-resolved Sensing of Shock-Compression Effects in Heterogeneous Materials
Naresh Thadhani¹ ; ¹Georgia Institute of Technology, Atlanta, United States;
Paper Id: 32 [Abstract]

Probing the effects of shock-compression in heterogeneous materials consisting of powder mixtures or multi-layered structures used as those used as structural energetic systems, requires meso-scale and time-resolved sensing combining experiments and computations. Impact experiments performed using gas gun or laser-accelerated launching of thin foils coupled with high-speed imaging, stress gauges, and/or interferometry techniques can provide information about evidence of chemical changes based on shifts in the equation of state and/or pressure-volume compressibility. However, these continuum-based diagnostics lack spatial resolution necessary to capture the micro- or meso-scale structural evolution of transition states, extent of reaction, localized changes in reactant configuration(s), or transport processes that lead to reaction. Two-dimensional meso-scale numerical simulations employing actual micrographs of starting reactive constituents imported into a multi-material hydrocode, can provide qualitative and semi-quantitative understanding of the highly-heterogeneous nature of shock-wave interactions with reactants which result in forced/turbulent flow, vortex formation, and even micro-scale dispersion and solid-state mixing as possible processes promoting reaction. However, there is no scale-specific validation of these processes. In our present work we are exploring meso-scale time-resolved diagnostics using quantum dots (QDs) and 1-D multi-layered photonic crystal structures (MLPCs), to experimentally measure spectral signatures which can be used as characteristics of localized stress and strain resulting from shock interactions with heterogeneities. Results of experiments performed on CdTe dispersed in polymer and glass matrix reveal distinct changes in emission intensity and blueshift as a function of shock pressures. Similarly, MLPCs based on Optical Microcavity Structures show time-resolved changes in emission wavelength due to shock loading. The understanding generated through such spatially and temporally-resolved in-situ diagnostics, combined with meso-scale simulations, can enable the design of performance-specific structural energetic/reactive materials.

12:30: [AdvancedMaterialsTueAM04] Keynote
Controlled Synthesis of Nanomaterials from Atomically Precise Metal Clusters Unique Species to Complex Metal Oxide Systems for Catalysis and Sensing
Vladimir Golovko¹ ; ¹University of Canterbury, Christchurch, New Zealand;
Paper Id: 374 [Abstract]

Insight into the nature of pure and support-immobilized atomically precise metal clusters and well-defined colloids is of fundamental importance, since such metal nanoparticle precursors are useful for the development of better catalysts and sensors. Our detailed DFT studies of the ligated clusters allowed systematic identification of bands observed in the far-IR spectra, and interpretation of the ultra-high resolution electron microscopy images of clusters supported on titania nanosheets. Synchrotron XPS studies of pure and supported clusters reveal their unique electronic properties and highlight the importance of support chemistry in controlling aggregation of clusters. Detailed AFM and STM studies also shed light on the behavior of clusters on flat surfaces. Our catalytic studies highlight the effects of support and gold particle size in electrocatalytic applications and initiator-/solvent-free aerobic oxidation of cyclohexene.We have demonstrated that green catalytic process of aerobic oxidation of amines to nitriles can be driven by the visible light using hydrous ruthenium oxide nanoparticles on TiO2. We also developed series of catalysts based bio-templated titania which show promising activity in CO2 hydrogenation even under visible light.

SESSION: AdvancedMaterialsTuePM-R8	Marquis International Symposium on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development(3rd Intl Symp. on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development)
Tue Oct, 24 2017	Room: Maria Luisa & Maria Fernanda
Session Chairs: Chengjia Shang; Muhammad Ghauri; Session Monitor: TBA

14:30: [AdvancedMaterialsTuePM05] Keynote
The State-of-the Art Long Distance Gas Pipeline in China
Chengjia Shang¹ ; ¹University of Science and Technology Beijing, Beijing, China;
Paper Id: 196 [Abstract]

The state of the art long distance gas pipeline of China was reviewed in this paper. With the urgent demand of clean energy for economy growth and reduction of air pollution, more and more pipeline projects had been completed and have been launching in the past decade. Aiming at greatly increasing efficiency and saving budget, higher strength and larger-diameter pipes have been developed and applied for constructing long distance pipeline projects in China. For example, X80 grade pipeline has been applied to the 2nd west to east gas pipeline (2nd WEGP) with a distance of 7000 km. This is the longest pipeline built by X80 pipeline steel in the world. Comparing with the first west to east gas pipeline (1st WEGP) built by X70, the diameter increased from 1016 mm to 1219 mm, wall thickness from 14.6 mm to 18.4 mm, gas pressure from 10 MPa to 12 MPa, the transmission capacity increased from 17 bm3/a to 30 bm3/a. Taking account of the steel amount, construction cost and other market reason (almost 95% was supplied by domestic steel companies), the investment of the 2nd WEGP is almost as same as the 1st WEGP. Moreover, other long distance pipeline projects are introduced in this paper, and the technology achievement for developing X80 pipe is also presented.

15:00: [AdvancedMaterialsTueAM06] Keynote
Biodesulfurization of Coal - An Eco-Friendly Approach
Muhammad Ghauri¹ ; Nasrin Akhtar¹ ; Kalsoom Akhtar¹ ; ¹NIBGE, Faisalabad, Pakistan;
Paper Id: 208 [Abstract]

Coal is one of the most abundant non-renewable fossil fuels in Pakistan and remained a viable source for the generation of electricity in the country. However, in general, the quality of local coal is too low to offset the practical, economic, and regulatory barriers to its utilization. Sulphur accounts for one of the major impurities in the coal and mainly occurs in inorganic and organic forms. Combustion of high sulphur coal releases environmental pollutants like sulphur dioxide, sulphuric acid, hydrogen and nitrogen sulphides. To enhance the quality of the coal and consequently reduce its environment damaging impact, sulphur in coal needs to be removed before its combustion. Some of the conventional chemical and physical methods have responded effectively towards the removal of sulphur, but, the use of hazardous chemicals and elevated operating temperatures make such processes unattractive and less eco-friendly. The environmental regulatory authorities all over the world are stressing for the development of eco-friendly processes when it comes to coal usage. Microbes act as a store house of several biomolecules/enzymes; they can be used for bioprocessing of coal on an industrial scale for technical exploitation with environmental responsibilities. In NIBGE, Industrial Biotechnology Division has been carrying out research pertaining to various aspects of bioremoval of inorganic and organic sulphur from coal. We have explored the area of biodepyritization (inorganic sulphur removal) of coal at laboratory and industrial scale successfully. The possibilities of using fermentors and drum reactors for depyritization have been demonstrated with substantial removal of pyritic sulphur from coal. For upscaling, we developed a 300 tonne heap bioleaching process by using mixed consortium of mesophilic and moderately thermophilic iron and sulphur oxidizing bacteria i.e., Acidithiobacillus ferrooxidans, Acidithiobacillus thiooxidans and Sulfobacillus thermosulfidooxidans, where about 70% of the total sulphur was removed in 36 days. In case of organic sulphur removal studies, we isolated more than two hundred bacterial isolates and tested them for their ability to remove organic sulphur from model compound like dibenzothiophene (DBT), a major thiophenic compound present in fossil fuels. Out of 214 isolates, eleven exhibited organic sulphur metabolizing activity. Most of the isolates belonged to different species of genus Gordonia. Other isolates had close similarities with Amycolatopsis flava, Microbacterium nematophilum, Mycobacterium senegalense and Rhodococcus spp (Eu-32). The sulphur removal potential of Rhodococcus spp. (Eu-32) was investigated using coal from Dukki, Baluchistan, which resulted in 60% reduction of organic sulphur content in 15 days. We have reported an extended DBT desulphurization pathway in Rhodococcus spp. (Eu-32) using chromatographic techniques like HPLC and GC-MS.

15:30: [AdvancedMaterialsTueAM07]
Investigation of Ultrasonic Solvent Extracts for the Separation of Neutral Lipids from Microalgae Biomass for Biodiesel Potential
Amrajit Singh Sarpal¹ ; ¹INMETRO, XEREM, Brazil;
Paper Id: 223 [Abstract]

Microalgae are unicellular photosynthetic organisms that require three components: water, CO2, and sunlight, to generate biomass with relatively higher photosynthetic efficiency of 3�8% against 0.5% for terrestrial plants. The biomass is comprised of neutral (triacyl glycerides, free fatty acids) and polar lipids (glyceroglyco/phospholipids). Neutral lipids are potential sources of biodiesel and food products due to their similarity with regular vegetable crops with regard to saturated and unsaturated fatty acid profile (C14 to C22). Besides neutral and polar lipids various high value co-products can be extracted from microalgae biomass. Poly unsaturated fatty acids (PUFA) such as � � linolenic (� n-3), � linolenic (� n-6), DHA and EPA are abundantly cultivated by certain microalgae species, and find extensive application as food supplements due to their high nutritional value. In the present work, the algal oil extracts from Chlorella vulgaris, Spirulina and Scenedesmus ecornis species obtained by ultrasonic extraction methods employing solvents of varying polarity such as cyclohexane, chloroform, and methanol, and their blends have been characterized by NMR, IR and Mass spectroscopic techniques. The detailed analyses of different extracts has facilitated to determine extraction efficiency of each solvent towards extraction of neutral lipids, PUFAs and polar lipids, and their fatty acid profile with an objective to explore biodiesel and other product potential. The results indicated that lipid product profile including nature of fatty acids were dependent upon the polarity of solvent, nature of microalgae species, and cultivation media for the generation of biomass. The naturally occurring biodiesel and biodiesel produced during extraction were specifically investigated to propose the concept of photobioreactor. The developed NMR methods offer great potential for rapid screening of algal strains for generation of algae biomass with desired lipid content, quality of biodiesel and value added PUFA keeping in view of the cost economics of overall generation of the biomass.

16:00: [AdvancedMaterialsTueAM08]
Towards the Development of a Reactive Filter from Green Resource for Groundwater Defluoridation
Brigitte Helmreich¹ ; Nurudeen Abiola Oladoja² ; Hakeem Bello² ; ¹Chair of Urban Water Systems Engineering, Munich, Germany (Deutschland); ²Hydrochemistry Laboratory, Department of Chemical Sciences, Akungba, Nigeria;
Paper Id: 234 [Abstract]

In order to develop a low cost reactive filter from a green biogenic resource, the shell of a Gastropod (GS) was calcined at different temperatures and the defluoridation efficiencies of the raw and calcined GS were evaluated in a batch process. The highest defluoridation efficiency was obtained with the GS calcined at 1000�� (i.e. TGS1000). The time-concentration profiles of the defluoridation process were described by the pseudo-second order kinetic equation and the Temkin equilibrium isotherm equation gave the best description of the defluoridation process in synthetic feed water and groundwater (GW) system. The determination of the effects of hydrochemistry on the defluoridation efficiency of the TGS1000 showed that variations in pH value, organic load and ionic strength had no visible influence on the magnitude and trend. Amongst the array of interfering ionic species studied, only carbonate exhibited negative impact on the defluoridation efficiency. Experimental evidences revealed that the underlying mechanisms of the defluoridation process were diverse (ionic bond formation, electrostatic attraction, ion exchange and occlusion into Ca(OH)2 framework) and not straitlaced. Groundwater (GW) defluoridation, using TGS1000, showed that the residual F- in the defluoridated water increased with initial F- concentration. The value of the monolayer Langmuir sorption capacity was lower in the GW system (qm = 6.17 mg/g) than in the synthetic feed water system (qm = 19.84 mg/g). The values of pH, electrical conductivity, Ca2+ concentrations, total hardness values were higher in the defluoridated water relative to the raw GW samples. The Mg2+ concentrations were below the detection limit and nitrate concentrations were appreciably attenuated in the treated water samples.

SESSION: AdvancedMaterialsWedAM-R8	Marquis International Symposium on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development(3rd Intl Symp. on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development)
Wed Oct, 25 2017	Room: Maria Luisa & Maria Fernanda
Session Chairs: Dipankar Ghosh; Pengwan Chen; Session Monitor: TBA

11:00: [AdvancedMaterialsWedAM01] Keynote
Can Small Molecules Realize Big Dreams in Solar Energy Conversion for Sustainable Environment?
Chandrasekharam Malapaka¹ ; ¹CSIR-Indian Institute of Chemical Technology, Hyderabad, Hyderabad, India;
Paper Id: 243 [Abstract]

As fossil fuels are quickly depleting, there is a search for alternative energy resources such as solar energy. An advantage of the Dye Sensitized Solar Cells (DSSC) with respect to competing technologies, is that its performance is remarkably insensitive to temperature change and incident angle of solar light. Thus, raising the temperature from 20 to 600C has practically no effect on the power conversion efficiency. Further, DSSC are known to work with the same efficiency even under diffused light conditions. In contrast, conventional silicon cells exhibit a significant decline over the same temperature range amounting to 20%. The best photovoltaic performance among DSSCs, both in terms of conversion yield and long term stability, has so far been achieved with polypyridyl complexes of ruthenium. The high efficiencies of the ruthenium(II)-polypyridyl DSSCs can be attributed to their wide absorption range from the visible to the near infra-red (NIR) regime. We have been engaged in the synthesis and evaluation of stable and efficient new metal free organic, phthalocyanine as well as ruthenium based dyes as sensitizers for DSSC application. We also achieved a certified world record efficiency of 11.40% employing a simple co-adsorbent in a black dye based device designed and developed at IICT.

11:30: [AdvancedMaterialsWedAM02] Keynote
Shock-wave induced synthesis of graphene sheets
Pengwan Chen¹ ; ¹Beijing Institute of Technology, Beijing, China;
Paper Id: 327 [Abstract]

Shock wave action of high temperature, high pressure and high strain rate lasting for very short time (~10-6 s) will cause a series of catastrophic changes of material chemical and physical properties, and herein both detonation-driven high velocity flyer impact loading and electrical explosion technique were employed to induce shock wave for the synthesis of high-quality graphene materials. Using solid CO2 (dry ice) as the carbon source, few layer graphene nanosheets were successful synthesized by reduction of CO2 with calcium hydride through detonation-driven flyer impact. Furthermore, by adding ammonium nitrate to the reaction system, nitrogen-doped graphene materials were formed in this one-step shock-wave treatment. Similarly few layer graphene and nitrogen-doped graphene materials were also prepared through the reaction of calcium carbonate and magnesium, and the shock pressure and temperature are two important factors affecting the synthesis of few layer graphene nanosheets. Besides that, graphite nanosheets, few-layer graphene, and especially, mono-layer graphene with good crystallinity were also produced by electrical explosion of high-purity graphite sticks in distilled water at room temperature. Delicate control of energy injection is critical for graphene nanosheets formation, whereas mono-layer graphene was produced under the charging voltage of 22.5-23.5 kV. The recovered samples were characterized using various techniques such as transmission electron microscopy, scanning electron microscopy, Raman spectroscopy, atomic force microscope and X-ray photoelectron spectroscopy, and therein the nitrogen-doped graphene was demonstrated to act as a metal-free electrode with an efficient electrocatalytic activity toward oxygen reduction reaction in alkaline solution. This work provides a simple but innovative route for producing graphene nanosheets.

12:00: [AdvancedMaterialsWedAM03]
Ice-templated Ceramics and Composites: Understanding Structure-Property Relationships in the Quasistatic and Dynamic Regimes of Compressive Loading
Dipankar Ghosh¹ ; Mahesh Banda¹ ; Hyungsuk Kang¹ ; Sashanka Akurati¹ ; Valere Kamaha¹ ; ¹Old Dominion University, Norfolk, United States;
Paper Id: 244 [Abstract]

Ice-templating is an emerging and versatile technique that can be employed to synthesize advanced macroporous ceramics and multilayered ceramic-polymer composites for various engineering endeavors. In ice-templating of ceramics, typically an aqueous ceramic suspension is unidirectionally frozen that results in the formation of alternate layers of ice and ceramic particles, and freeze drying of the frozen solid yields a macroporous ceramic scaffold that contains directional pores. Usually, the ceramic scaffolds are sintered to gain strength; however, the pore architecture evolved during the solidification step is retained. Due to the low pore tortuosity, scaffolds can be easily infiltrated with a polymer phase to develop multilayered ceramic-polymer composites. To envision the utilization of the ice-templated ceramics and ceramic-polymer composites for the mechanical load bearing applications including the high-strain rate environment, it is imperative to understand their uniaxial compressive mechanical behavior both in the quasistatic and dynamic regimes of strain rates. However, the structure-property (mechanical) relationships of the ice-templated materials are poorly understood, there are only few studies that have attempted to investigate the role of the different length-scale components on the mechanical properties, and high-strain rate studies are almost nonexistent. In this talk, we will first present our recent efforts on the novel developments of the ice-templated alumina ceramic, where we utilized anisotropic grains (platelets) to markedly enhance the uniaxial compressive mechanical response of the sintered scaffolds. Rigorous microstructural investigations revealed unique arrangements of the platelets within and out of the lamella walls, and a transition of the pore morphology occurred with the increasing plateletsO content and the freezing front velocity (FFV). Based on the rigorous microstructural analysis, a novel methodology is developed that estimates the distribution of the platelets within and out of the walls as well as variation of the plateletsO distribution as a function of the composition and the FFV. The measured drastic improvement of the uniaxial compressive mechanical properties is related to the platelets' distribution within and out of the walls and the pore morphology modifications. We will conclude the talk with the preliminary results of the split-Hopkinson pressure bar (SHPB) experiments conducted for both the porous alumina scaffolds and the alumina-epoxy composites.

12:30: [AdvancedMaterialsWedAM04] Invited
Modeling and simulation for the mechanical properties of carbon nanotubes under various external forces
Keka Talukdar¹ ; ¹NIT Durgapur, Durgapur, India;
Paper Id: 278 [Abstract]

Carbon nanotubes (CNTs) are the basic building blocks of nanocomposites for preparing high strength low weight material to be used for the future sustainable development. These can be used in aerospace industry as well as civil engineering. However, as their nano scale behavior is still to be understood in a better way, it is necessary to look much deeper into the material through atomistic simulation. By knowing the proper science to model nanoscale object, we can find out many interesting and fruitful results which can lead us to the better understanding of their proper usage. This topic gives a detail method of modeling and simulation of various kinds of CNTs like single walled, double walled, multi walled tubes as well as CNT ropes i.e. natube bundle with and without defects. The output of the study is fascinating mechanical characteristics of the CNTs. Here the properties are studied under various kinds of external loading. About 1 TPa of Youngs modulus with around 100 GPa of tensile strength is reported here. The bending, buckling and failure mechanism are modeled and captured as snapshots. Chirality dependent change of behavior and also defect related modified properties are established in this study. The study is an optimistic step towards building of super strong composite materials where the properties of the CNTs can be tailored according to our choice.

SESSION: AdvancedMaterialsWedPM-R8	Marquis International Symposium on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development(3rd Intl Symp. on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development)
Wed Oct, 25 2017	Room: Maria Luisa & Maria Fernanda
Session Chairs: Mamata Lanjewar; Li Yao; Session Monitor: TBA

14:30: [AdvancedMaterialsWedPM05]
Combustion Properties of N-Butanol, Methane and their mixtures in the Low Speed Two-Stroke Internal Combustion Engine
Li Yao¹ ; Yang Ding² ; Liguo Song² ; Rui Zhao³ ; Wenwen Xia² ; Yifan Liu² ; Lianzhong Huang² ; ¹Dalian Maritime University, Dalian, China; ²Marine Engineering College, Dalian Maritime University, Dalian, China; ³Marine Engineering College, Dalian Maritime University,, Dalian, China;
Paper Id: 255 [Abstract]

Because of a downturn in the shipping industry and the growing concern about the global climate in recent years, some of shipping firms have to choose to reduce engine speed to raise the economic efficiency. Taking advantage of the technical data of MAN B&W 6S70MC in this paper, the combustion properties of n-butanol has been studied at the speed range of 55-85 rpm in a Homogeneous charge compression ignition (HCCI) model at equivalence ratio of 0.71. The combustion properties of n-butanol-methane blends at different ratios have been performed at equivalence ratio of 0.71 when the speed was 85 rpm. At speeds rising from 55 rpm to 85 rpm, the increasing trend of temperatures in theoretical calculation was in accordance with the actual data from YU ZHONG HAI SHIPPING. Meanwhile the mole fractions NO, NO2 and N2O in the exhaust decreased as the speed lowering, as well as the increasing ratio of methane in the fuel. The mole fraction NO decreasing derived from the reason that a part of it was converted into N2. In addition, the fluctuation of the mole fraction NO2 was caused by the mutual conversion between NO2 and NO (NO2<->NO). The reason of mole fraction N2O decreasing was that it finally converted to N2.

15:00: [AdvancedMaterialsWedAM06] Keynote
Implantable Medical Devices: Technologies, Trends and Future Scope
Vipan Kakkar¹ ; ¹Shri Mata Vaishno Devi University, Katra. Reasi, India;
Paper Id: 259 [Abstract]

Implantable Medical Devices (IMDs), still in its early stages to be suitable for end-consumption, and thus represents an enormous opportunity for which Ultra Low Power System on Chip (SoC), consisting of sensors, processing unit, and stimulating unit or drug delivery unit, all to be integrated on a single chip with VLSI/MEMS technologies, which can enable the development of novel devices and therapies. Broadly, we are working on a SoC for the IMD�s encompassing a range of medical solutions for various bodily disorders and include Cardiac such as Pacemakers, Neural devices like deep brain stimulation (DBS) and prostheses for central nervous system (CNS), cochlear and retinal applications. Biosensors are also picking up in the research arena; the implantable electrode array, improving stimulation selectivity and assisting targeting by incorporating microelectrodes into the device; automated drug injection. Unlike other commercial devices, however, developing microsystems for these applications requires critical analysis in terms of specifications, technologies and design techniques because of the devices� safety and efficacy. The trade-off between performance and power consumption to be harvested from inside the body is a challenging act in the design of these devices. This keynote speech covers wider aspects of IMD�s, and aims to evaluate possible applications, to derive the requirements that future designs must meet and to recognize, as far as possible, the challenges which have to be faced.

15:30: [AdvancedMaterialsWedAM07]
PVD Deposition of Multilayered Nanocoatings With Potential Antimicrobial Behaviour
Anka Trajkovska Petkoska¹ ; Anita Trajkovska Broach² ; Ilija Nasov³ ; Toshiyuki Kanazawa⁴ ; ¹Assoc. Prof., Veles, Macedonia (Former Yugoslav Republic of Macedonia); ²materials scientist, Christiansburg, United States; ³CEO PLasma, Skopje, Macedonia (Former Yugoslav Republic of Macedonia); ⁴JEOL (EUROPE) SAS, 78290 Croissy-sur-Seine, France;
Paper Id: 258 [Abstract]

Stainless steel is one of the most exploatable material due to its durability, resistance to corrosion and ease of cleaning; it is the icon of cleanliness for home and commercial kitchens, restaurants, hospitals, pharmaceutical and food facilities, but it readily collects bacteria over time. Microorganisms even at room temperature can easily attach to untreated stainless steel surfaces. All objects in public areas that could potentially be in contact, handled or touched by people, could have inherent antibacterial properties to inhibit the proliferation of pathogens upon their surface, which can cause infections. One way to create antibacterial surfaces is by introducing silver or copper into the steel or to make a Cu- or Ag-based coating on to the surface. Coating techniques are very attractive nowadays; they could develop surfaces that not only kills bacteria but is very hard and resistant to wear and tear that is very important during cleaning and exploatation of those surfaces in public or industrial facilities. In this work, potential anribacterial surfaces on stainless steel are created by Physical Vapour Deposition (PVD) method. Under certain conditions in PVD chamber metals like, Cu or Ag or both evaporate from suitable targets in a vacuum atmosphere. Due to a potential difference between the target and the part that need to be coated, metal ions in pure or compound form move on the surface where they condense creating a desired multilayered coating. It is possible to create customized functional nanolayers of one or different antibacterial metals as well as retardant and protective layers e.g Ti-based layers that can regulate the release of antibacterial ions as well as will provide a good weather protection. The antibacterial effect is due to present antibacterial ions that diffuse through multilayered structure of the coating. The most possible mechanism for antibacterial activity of these nanolayers is release of antibacterial ions towards the surface and destroy of cell membranes of bacteria by blocking its nutrition, altering its protein properties and interrupting the cell division cycle.

16:00: [AdvancedMaterialsWedAM08]
Synthesis and Characterization of Copper Nanoparticle, Copper-Urea Formaldehyde and Copper Oxide Urea Formaldehyde Nanocomposite, and Their Application for Adsorption of Heavy Metals from Waste Water
Mamata Lanjewar¹ ; Ratnakar Lanjewar² ; ¹Department of Chemistry, Rashtrasant Tukadoji Maharaj Nagpur University, Nagpur, India; ²Department of Chemistry, Dharampeth M.P.Deo Memorial Science College, Nagpur, Nagpur, India;
Paper Id: 61 [Abstract]

Nanotechnology has immersed as a versatile platform that could provide efficient ,cost-effective and environmentally acceptable solutions to the global sustainability challenges facing society. Keeping this point in view ,it was thought to be important to study the adsorption of heavy metal ions on the abundantly available natural materials which as such are waste from our point of view .Such materials can be nanoparticles, nanocomposites, seeds etc. In the present research paper we have chosen copper urea formaldehyde and copper oxide urea formaldehyde for this purpose. Among transition metals copper nanoparticles are of special interest because of their efficiency as nanofluids in heat transfer applications.The main goal of the research paper is to synthesize, investigate ,characterized the materials and study their applications towards the removal of pollutants from water and waste water. Nanosize copper nanoparticle has been prepared by using polyol method .By using urea formaldehyde (UF),copper urea formaldehyde nanocomposite was prepared.The prepared Cu-UF nanocomposite was used for efficient and cost effective removal of Ni(II)from solution with 80% nickel removal capacity within 15 minutes. The significant adsorption of Ni(II) by Cu-UF nanocomposite was found in the pH range of 6.6-7.0 and followed Langmuir Adsorption isotherm. Also the CuO urea formaldehyde nanocomposite was synthesize from the prepared copper oxide nanoparticles. The characterization of the prepared nanoparticle and nanocomposite was done using XRD,SEM,TGA-DTA AND TEM techniques. The extent of adsorption of Nickel greatly increases with increase in the amount of adsorbent having maximum percentage of 79% with 0.8 mg adsorbent. Thus ,it can be concluded that these nanocomposites can be attributed for the removal of heavy metal from industrial waste with great efficiency at low cost of preparation.

SESSION: AdvancedMaterialsThuAM-R8	Marquis International Symposium on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development(3rd Intl Symp. on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development)
Thu Oct, 26 2017	Room: Maria Luisa & Maria Fernanda
Session Chairs: Mahesh Kumar; Anil Shantappa Malipatil; Session Monitor: TBA

11:00: [AdvancedMaterialsThuAM01]
State-of-the-art Bioassays Applications to Monitor Advanced Oxidation Process Efficiency for Environmental Remediation
Munawar Iqbal¹ ; ¹Pakistan, Lahore, Pakistan;
Paper Id: 236 [Abstract]

Industrialization and urbanization are the major causes of environmental pollution and water bodies serve as a final receptors of diverse variety of contaminants. Cytotoxic and mutagenic effects have been reported as a result of exposure to pollutants, commonly present in industrial wastewater. Bioassays based on higher plants and microorganisms are recognized as excellent models to detect cytogenetic and mutagenic agents and are frequently used in environmental monitoring studies. Detoxification and degradation efficiency of photo-catalytically (UV/H2O2/TiO2) treated different non-ionic surfactants were investigated. Mineralization was evaluated in terms of total organic carbon (TOC) reduction. A set of bioassays namely Allium cepa, haemolytic, brine shrimp assays were used for cytotoxicity evaluation, whereas Ames test was used for mutagenicity testing of Nonylphenol ethoxylate (NPEO) treated solution versus un-treated samples. Independent variables such as H2O2 amount, TiO2 concentration, reaction time, temperature, pH and shaking speed were optimized for maximum degradation and detoxification. As a result of UV/H2O2/TiO2 treatment, > 90% degradation was achieved. The TOC and COD values were reduced significantly. The toxicity analysis revealed that the surfactants cytotoxicity and mutagenicity also reduced considerably. Formation of low molecular mass carboxylic acid was evidenced by GC-MS along with FTIR and HPLC analysis. The results showed that UV/H2O2/TiO2 treatment enhanced TOC reduction and facilitated mineralization and detoxification of surfactants.

11:30: [AdvancedMaterialsThuAM02] Invited
Energy Efficient Nano-devices for the Better and Sustainable Society
Mahesh Kumar¹ ; ¹Indian Institute of Technology Jodhpur, Jodhpur, India;
Paper Id: 247 [Abstract]

The energy crisis is a broad and complex topic. Most people do not feel connected to its reality unless the price of gas goes up. The energy crisis is something that is on-going and getting worse, despite many efforts. Due to the increase in demand for energy over the past few decades, the resources required to meet these demands are being drastically depleted. There have been several developments in the field of energy conservation. The greenhouse effect is another major issue and accounts for global climate change. Carbon dioxide is one of the chief greens house gases responsible and it is prompted, not only uses the green energy sources but also reduce the power consumption. My scientific focus is on development of energy efficient devices such as LEDs and sensors for environmental gas monitoring. Hydrogen gas sensors are important for utilization of hydrogen as a clean and renewable alternative to carbon-based fuels. Though, there is broad range of hydrogen sensors designed on the basis of optical and electrical properties of materials, but these sensors are either working at very high temperature (> 150 �C) or incompatible with integrated circuits for sensing device fabrication and reproduction. The sensor reported in present study, can able to detect hydrogen gas at lower temperature with fast response and recovery times and can be integrated with existing Si based technology. The lower working temperature is necessary for power saving and reduction of risk associated with H2 gas. The talk will focus on issues related to energy and climate.

12:00: [AdvancedMaterialsThuAM03] Invited
Study of Effective atomic numbers of Bioactive Glasses for Photon Interaction
Anil Shantappa Malipatil¹ ; S.m Hanagodimath² ; ¹GURU NANAK DEV ENGINEERING COLLEGE BIDAR KARNATAKA INDIA, gulbarga, India; ²GULBARGA UNIVERSITY KALABURAGI KARNATAKA, KALABURAGI, India;
Paper Id: 277 [Abstract]

This work was carried out to study the nature of mass attenuation and effective atomic numbers of bioactive glasses for gamma or X-rays. Bioactive glasses are a group of synthetic silica-based bioactive materials with unique bone bonding properties. In the present study, we have calculated the effective atomic number, electron density for photon interaction in the energy range 1 keV to 100 MeV of selected of bioactive glasses SiO2-Na2O-CaO-P2O5, SiO2-CaO-P2O5 and SiO2-CaO. We have also computed the single valued effective atomic number by using XMuDat programme. It is observed that variation in effective atomic number (ZPI, eff) depends also upon the weight fractions of selected bioactive glasses and range of atomic numbers of the elements. The XMuDat calculates Zeff, XMuDat by assuming photoelectric absorption as the main interaction process where as Nel, XMuDat assuming Compton scattering as the main interaction process.

12:30: [AdvancedMaterialsThuAM04]
Some Important Factors in Porphyrin-based Dye-sensitized Solar Cells: An Empirical and Theoretical Study
Nasser Safari¹ ; Pooya Tahay¹ ; Maryam Adineh¹ ; Zahra Parsa¹ ; Ali Alavi¹ ; Eric Wei Guangdiau² ; ¹Shahid Beheshti University, tehran, Iran (Islamic Republic of Iran); ²National Chiao Tung University, Hsinchu, Taiwan ("Chinese Taipei" for IOC);
Paper Id: 295 [Abstract]

A series of zinc porphyrin dyes, M-disubstitution push-pull porphyrin, &#946;-disubstotution push-pull porphyrin and M-&#946;-substitution push-pull porphyrin (1-5) by having anchoring group either at meso-phosition (M) or Beta position (&#946;) of a zinc porphyrin were compared by density functional theory. Their electronic, spectroscopic properties and HOMO-LUMO properties of the dyes were studied. The effects of &#7464;-conjugate group (ethenyl and acetylene) and different substitution positions of electron-donor and electron-acceptor on the optoelectronic properties of dyes are demonstrated. The photophysical and electrochemical properties of this dyes modified by changing the substitution position of the donor and acceptor. The results reveal that the different substitution position of electron-donor had an influence on the energy levels, absorption spectra, shape and characteristic of HOMO-LUMO orbitals. Following these results two new donor-&#960;-bridge-acceptor zinc porphyrins with dimethylaminonaphthalene electron donating moiety, coded T1 and T2, were synthesized and used as sensitizers in dye sensitized solar cells (DSSCs). Both dyes showed excellent photovoltaic properties with power conversion efficiencies of 8.0 and 9.6% for T1 and T2 respectively, for which the device performance of T2 dye is superior to that of N3 dye.[1] The photocurrent efficiency of dye-sensitized solar cells (DSSCs) extremely depends on titanium dioxide nanoparticles size and their interactions with dye. In order to provide a comprehensive investigation of TiO2 nanoparticles size relation with different dye types in DSSCs, three sizes of TiO2 nanoparticles and two different dye types include a porphyrin dye (T2) and a ruthenium dye were synthesized. Steady state current�voltage (J�V) characteristics were investigated for fabricated DSSCs and its results demonstrated optimum TiO2 nanoparticles size changed with dye types.[2] The results for N3 dye shows that the surface area of the TiO2 nanoparticles is a key factor for N3 cells which restrict by TiO2 pore diameter and recombination at surface area traps. In contrast, the density of localized states of the TiO2 film under the LUMO state of the porphyrin dyes is the dominating factor for the performance of the solar cells, which is restricted by the surface area of the TiO2 nanoparticles.

SESSION: AdvancedMaterialsThuPM-R8	Marquis International Symposium on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development(3rd Intl Symp. on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development)
Thu Oct, 26 2017	Room: Maria Luisa & Maria Fernanda
Session Chairs: Ratnakar Lanjewar; Maria A. G. Soler; Session Monitor: TBA

14:30: [AdvancedMaterialsThuPM05] Keynote
Physically Fabricated Semiconductor Nanocrystals for Light Harvesting
Guolong Tan¹ ; Qishu Xu¹ ; Limin Liu¹ ; ¹Institute of New Materials, Wuhan University of Technology, Wuhan, China;
Paper Id: 246 [Abstract]

Composition-tunable ternary semiconductor nanocrystals (NCs) are very important materials for light harvesting as well as remote sensing and detecting in the infrared (IR) wavelength region. They are, however, almost exclusively prepared by wet chemical routes which lead to surface-capped nanoparticles. The surface capping molecules could shift their absorption peaks from mid-IR to near IR wavelength region. Surface clean binary and ternary nanocrystals (NCs) would demonstrate intrinsic optical spectrum in the entire wavelength region. Herein, we will present the preparation of tens of grams of surface clean binary and ternary semiconductor nanocrystals (such as CdS, CdSe, CdTe, CdSeS, CdZnS, CdPbS, CuSbS2) using physical mechanical alloying (MA) process. The resulting nanocrystals have average sizes smaller than 9 nm, are chemically homogenous, show lattice contraction with chemical composition and a variable band gap-composition relationship, which enable us to continuously and precisely tune the band gap energies of ternary semiconductor nanocrystals from ultra violet region, visible wavelength region to mid-IR region, and even to far-IR region. The smallest bang gap energy of one specific semiconductor nanocrystals extends to far infra-red wave length region, which reaches as small as 25 um. We will show such full optical spectrum with two free exciton peaks locating just below the bottom of the conduction band at room temperature. These semiconductor nanocrystals have great potential application for light harvesting in solar cells and hydrogen generation from water splitting.

15:00: [AdvancedMaterialsThuAM06]
Synthesis and characterization of Copper Nanoparticle,Copper-urea formaldehyde and Copper oxide Urea formaldehydenanocomposite and their application for adsorption of heavy metals from waste water
Ratnakar Lanjewar¹ ; ¹Department of Chemistry, Dharampeth M.P.Deo Memorial Science College, Nagpur, Nagpur, India;
Paper Id: 280 [Abstract]

Nanotechnology has immersed as a versatile platform that could provide efficient ,cost-effective and environmentally acceptable solutions to the global sustainability challenges facing society. Keeping this point in view ,it was thought to be important to study the adsorption of heavy metal ions on the abundantly available natural materials which as such are waste from our point of view .Such materials can be nanoparticles, nanocomposites, seeds etc. In the present research paper we have chosen copper urea formaldehyde and copper oxide urea formaldehyde for this purpose. Among transition metals copper nanoparticles are of special interest because of their efficiency as nanofluids in heat transfer applications.The main goal of the research paper is to synthesize, investigate ,characterized the materials and study their applications towards the removal of pollutants from water and waste water. Nanosize copper nanoparticle has been prepared by using polyol method .By using urea formaldehyde (UF),copper urea formaldehyde nanocomposite was prepared.The prepared Cu-UF nanocomposite was used for efficient and cost effective removal of Ni(II)from solution with 80% nickel removal capacity within 15 minutes. The significant adsorption of Ni(II) by Cu-UF nanocomposite was found in the pH range of 6.6-7.0 and followed Langmuir Adsorption isotherm. Also the CuO urea formaldehyde nanocomposite was synthesize from the prepared copper oxide nanoparticles. The characterization of the prepared nanoparticle and nanocomposite was done using XRD,SEM,TGA-DTA AND TEM techniques. The extent of adsorption of Nickel greatly increases with increase in the amount of adsorbent having maximum percentage of 79% with 0.8 mg adsorbent. Thus ,it can be concluded that these nanocomposites can be attributed for the removal of heavy metal from industrial waste with great efficiency at low cost of preparation.

SESSION: SISAMMonAM-R9	3rd Intl. Symp. Surfaces and Interfaces of Sustainable, Advanced Materials (SISAM)
Mon Oct, 23 2017	Room: Condesa III
Session Chairs: Jean-Marie Dubois; Isabelle Braems; Session Monitor: TBA

11:00: [SISAMMonAM01] Plenary
Multiscale Analysis of Advanced Materials' Tribological Properties
Richard Kouitat Njiwa¹ ; Philippe Stempfle² ; ¹Institut Jean Lamour (UMR 7198 CNRS-Uninersite de lorraine), Nancy, France; ²FEMTO St, Besancon, France;
Paper Id: 298 [Abstract]

Friction is known to be a multi-scale phenomenon which starts at the atomic or molecular scale, and emerges at the macro-scale by means of the so-called real contact area. This multi-scale process generally involves some self-organization processes within this real contact area, which generally occurs with the reduction of the number of degrees of freedom. Hence, macro-scale properties of physical systems – such as the coefficient of friction, the Young modulus, the yield strength, or the fracture toughness – cannot be deduced directly from the molecular scale properties because these properties are defined by meso-scale objects such as defects, grains, and asperities – especially, roughness for tribological purpose. Thus, (i) tribological properties – including friction and wear processes – need to be studied by considering a multi-scale approach, in order to understand how these phenomena emerge from atomic to macroscopic scale; (ii) specific emerging tribological behaviors can be tailored or adjusted by means of self-assembled monolayers or hierarchical surfaces or materials. In this paper, this approach will be illustrated by considering various tribological studies, which have been investigated at various scales in our respective teams.

11:30: [SISAMMonAM02] Keynote
Applications of the Proton Induced X-Ray Emission (Pixe) Technique for Elemental Analysis of Materials
Gregory Lapicki¹ ; ¹East Carolina University, Greenville, United States;
Paper Id: 120 [Abstract]

Background. The relevance of x-ray production cross sections (XRPCS) and the related ionization cross sections (ISC) in many research as has been described at length and analyzed in detail [Miranda and Lapicki 2014]. X-ray emission cross sections by ion impact are a relevant input in many areas such as e.g., as for studies of track structure in DNA [Lekadir et al. 2009] or in water [Backstrom et al. 2013]. Particle Induced X-ray Emission (PIXE) strongly requires trustworthy databases for XRPCS and/or reliable predictions of inner-shell ionization theories as periodically evaluated in Monte Carlo Geant4 simulations [Pia et al. 2010 Incerti et al. 2015]. Purpose. To present 1) a review of the PIXE technique and its applications, and 2) universal experimental and theoretical [ECUSAR theory of Lapicki 2001] fits to existing databases for K- and L-shell XRPCS. Goals. To check if the theory is accurate across the periodic table of elements and a large range of projectile energies, equally comprehensive databases are essential and a universal fit for them is desired. Those fits should be in terms of a variable by which XRPCS are scaled with a minimum of adjustable parameters. Conclusions. The versatility of the PIXE technique and its application will be demonstrated. It will be shown how universal experimental and theoretical fits to XRPCS serve to set reliable predictions across projectile energies and a wide range of target elements for accurate analysis of elements in materials.

12:00: [SISAMMonAM03]
Muons as an Optimal Probe for Future All Solid-State Energy Devices: A Brief Introduction and Review
Ola Kenji Forslund¹ ; Martin Mansson¹ ; ¹KTH Royal Institute of Technology, Kista Stockholm, Sweden;
Paper Id: 342 [Abstract]

To ensure the general breakthrough of electrical vehicles in our modern society it is highly desirable to improve performance, safety and lifetime of current batteries, fuel cells and hydrogen storage systems. It is commonly thought that such improvements are found within the so-called all-solid-state energy devices. To accomplish a paradigm shift within this field a new generation of energy materials needs to be developed. Further, a better understanding of how surface and interface effects are potentially affecting intrinsic material properties is clearly needed. Muon spin rotation and relaxation (mu+SR) is a hidden gem among the available experimental techniques. Its extreme sensitivity to static and dynamic electronic as well as nuclear fields makes it ideal to study especially ion dynamics in solid energy materials. It is also one of the very few techniques that is able to acquire non-destructive depth profiling of ion diffusion across an interface. In this presentation I will briefly outline the working principle of this unique method and show its capabilities through our recent results from studies of batteries as well as hydrogen storage materials.

12:30: [SISAMMonAM04] Keynote
Role Of Nanocrystalline Structure For The Storage Kinetics Of Hydrogen Storage Materials: Surface Or Bulk Effect ?
Michael J. Zehetbauer¹ ; Jelena Horky² ; Gerhard Krexner¹ ; Peter Cengeri³ ; ¹University of Vienna, Faculty of Physics, Wien, Austria; ²Austrian Institute of Technology, Seibersdorf, Austria; ³Physics of Nanostructured Materials, Faculty of Physics, Univ. Vienna, Vienna, Austria;
Paper Id: 355 [Abstract]

There is the widespread opinion within the research community of hydrogen storage materials, that their nanocrystalline structure is a precondition for enhancement of the kinetics of hydrogen absorbtion/desorption, by means of enhanced diffusion of H2 along the grain boundaries. Examples for this behavior are presented, including ball milled, filed and/or SPD processed Mg, Mg- and Fe-alloys. SPD (Severe Plastic Deformation) represents a new method processing method to achieve bulk nanocrystalline materials. Considering more than one storage cycles in pure Mg, the kinetics and even the storage capacity is drastically decreased. One may find the reason in the strongly increased grain size because of the comparably high absorption/desorption temperature of 350°C. However, in the SPD processed Mg-alloys like ZK60, the kinetics and the storage capacity do not decrease with repeated absorption/desorption cycles, although the average grain size significantly increases. Thus it is concluded that the grain size effect beneficial to storage kinetics during the first cycles must have a reason other than hydrogen grain boundary diffusion. Recent DFT calculations within a research project of the authors suggest that the dissocation of H2 to H - which is a precondition of successful absorption of hydrogen by the host material - occurs more easily at the surface and especially in the wake of crystal defects being present at the surface. Experiments by the authors done in Mg-alloys and Fe-Ti having various initial ball milling particle sizes and/or grain sizes confirm this conclusion. Furthermore, recent experiments both from literature and from the authors showed that application of SPD can save the pulverization and/or filing of the H2 storage materials, by providing not only high densities of grain boundaries but also those of microcracks at the surface.

SESSION: SISAMMonPM-R9	3rd Intl. Symp. Surfaces and Interfaces of Sustainable, Advanced Materials (SISAM)
Mon Oct, 23 2017	Room: Condesa III
Session Chairs: Angus Rockett; Nicolas Barreau; Session Monitor: TBA

14:30: [SISAMMonPM05] Plenary
Characterizing The Growth and Properties of Chalcogenide Semiconductors for Photovoltaic Applications
Angus Rockett¹ ; ¹Colorado School of Mines, Golden, United States;
Paper Id: 314 [Abstract]

Chalcogenide semiconductors, in particular CdTe and Cu(In,Ga)Se2 (CIGS), have achieved great progress in performance of photovoltaic materials recently. However, they present a challenge to understand, as they perform better as polycrystalline materials than as single crystals. Therefore, it is necessary to understand how the films grow and in particular how grain boundaries affect the devices. This talk presents an overview of two scanning probe methods, scanning tunneling microscopy (STM) and atomic force microscopy (AFM) applied to this question. In particular, two modifications to AFM are applied, conductive AFM and scanning microwave impedance microscopy (SMIM) to understand local variations in carrier density and conduction. The results show how band edge fluctuations at the atomic scale can prevent atomic resolution imaging and how grain boundary properties differ from the bulk behaviors. CIGS shows large variations in both band edges on the atomic scale. Thus, choosing one tip bias results in large changes in current driven by the fluctuations and hence to changes in tip height not resulting from atomic features but rather from electronic behaviors. AgInSe2 shows smaller variations in the valence band edge and produces excellent atomic-resolution images when tunneling out of the surface but not when tunneling into the conduction band. It is shown that CdTe grain boundaries exhibit depleted majority hole concentrations relative to the grain bulk. This will induce collection of electrons to the boundaries. The resulting separation of the electrons from the holes reduces recombination. Conductive AFM shows that the boundaries are pathways for collection of current by the device. Remarkably, current injected directly into the boundary travels in the boundary rather than crossing into the grains while current injected in the grains stays in the grains. By contrast CIGS does not show this behavior and grain boundaries are very similar in overall behavior to grains. Implications of these results for the devices are described.

15:00: [SISAMMonAM06] Keynote
High-efficiency Solar Cells Based on Polycrystalline Cu(In,Ga)Se2 Thin Film: A Discussion on the Influence of Alkali Fluoride Post-deposition Treatments
Nicolas Barreau¹ ; Ludovic Arzel¹ ; Sylvie Harel¹ ; Thomas Lepetit¹ ; ¹Universite de Nantes, IMN, Nantes, France;
Paper Id: 315 [Abstract]

Cu(In,Ga)Se2 thin film solar cell technology has recently achieved the outstanding power conversion efficiency of 22.6 %. Such level of performance is surprising because these devices are based on polycrystalline layers and hetero-junctions; hence implying numerous homo- and hetero-interfaces. Nevertheless, the recent efficiency breakthrough was made possible thanks to specific post- deposition treatments of the Cu(In,Ga)Se2 absorber, which imply both surface and grain boundary modifications. So far, the best solar cells were prepared from absorbers which were treated by heavy alkali fluoride, namely KF or RbF. The present contribution aims at presenting and discussing the various models proposed up to date to explain grains and grain boundary modifications and their influence on the related solar cell performance.

15:30: [SISAMMonAM07] Plenary
Grain Boundaries in Solar Cells and Their Influence on Electrical Characteristics
Pawel Zabierowski¹ ; ¹Warsaw University of Technology, Warsaw, Poland;
Paper Id: 353 [Abstract]

Grain boundaries (GBs) are important elements of photovoltaic devices. Usually, they act as effective recombination sinks and limit the conversion efficiency of low cost silicon solar cells, but in devices employing compound semiconductors the role of GBs is not that obvious as their presence is also considered to be beneficial. Since, in either case, the knowledge of electronic properties of GBs is crucial for further improvements, we first discuss experimental techniques allowing for characterization of the electronic activity of GBs as well as analytical approaches relating the properties of GBs to the carrier transport mechanisms. However, due to the complexity of the system, the application of such simple models for the interpretation of real data is very often not straightforward. Therefore, we further focus on more advanced topics, such as metastable defects, taking as an example Cu(In,Ga)Se2- based solar cells.

16:00: [SISAMMonAM08]
Thin-film Solar Cell Based on Cu1-xGaxSe2: The X-dependent Chemical Properties of the CuIn1-xGaxSe2 Interfaces
Isabelle Braems¹ ; Polyxeni Tsoulka² ; Nicolas Barreau³ ; ¹IMN-CNRS, Nantes Cedex, France; ²IMN, Nantes Cedex 3, France; ³Universite de Nantes, IMN, Nantes, France;
Paper Id: 318 [Abstract]

A solar cell is a device that converts a solar energy into an electric current. Studying the properties of the absorber layer is a key point to optimize its conversion efficiency. In this study, we focus on polycrystalline CuIn1-xGaxSe2 (CIGSe), which is one of the most promising absorber layers for solarcells. So far, best labscale energy conversion efficiencies are achieved for x = [Ga]/([Ga]+[In]) �O0.3, while the theoretical x-dependent cell efficiency curve predicts better performances for x �O0.75. One possible explanation is that Grain Boundaries (GBs) play a specific role as a function of x. We suggest 2 possible phenomena that can occur at the CIGSe GBs: first, The interface and the grain interior compositions differ, and the nature of the predominant species at the interface varies with x. This is consistent with i) recent results obtained by APT (Atom Probe Tomography), and ii) our simple theoretical-based model of segregation driving forces that combine ab initio and statistical thermodynamics. Secondly, a detrimental solid solution can accumulate within the GBs. Our XRD, RAMAN and EDS analyses demonstrate a different behavior of a Cu-rich compound at low and high Ga-ratio. The nature of the accumulated species or compound at the interface can be detrimental or beneficial for the solar cell efficiency. Hence, in this contribution we discuss both experimentally and theoretically these two scenarios.

SESSION: SISAMTueAM-R9	3rd Intl. Symp. Surfaces and Interfaces of Sustainable, Advanced Materials (SISAM)
Tue Oct, 24 2017	Room: Condesa III
Session Chairs: Daniel Kropman; Brice Gautier; Session Monitor: TBA

11:00: [SISAMTueAM01] Plenary
Assessing Ferroelectricity at the Nanoscale Using Techniques Derived from Atomic Force Microscopy
Brice Gautier¹ ; Simon Martin¹ ; David Albertini¹ ; Nicolas Baboux¹ ; ¹Institut des Nanotechnologies de Lyon / INSA de Lyon, VILLEURBANNE, France;
Paper Id: 239 [Abstract]

Assessing ferroelectricity in thin films or single crystals is of crucial importance whenever these materials are to be integrated in electronic devices for applications to e.g. memories, low consumption transistors or sensors. For all these applications, it has become mandatory to measure ferroelectricity at the nanoscale. One of the most popular tools to do so is Piezoresponse Force Microscopy (PFM) which is derived from Atomic force Microscopy (AFM), and allows to map ferroelectric domains, to obtain hysteresis loops at the nanoscale as well as to write domains by the application of voltages between the tip and the sample. We describe in this communication the capabilities of such a technique. But since several years, PFM has lead to severe misinterpretations because some non-ferroelectric layers have lead to perfect PFM images and loops. We will explain the origins of these misinterpretatations and propose an alternative method based on current measurements (nano-PUND), which seems to be more powerful and less sensitive to artefacts than PFM when ferroelectricity has to be assessed.

11:30: [SISAMTueAM02]
Stresses Relaxation in the Si-SiO2 System and its Influence on the Interface Properties
Daniel Kropman¹ ; Viktor Seeman² ; Artur Medvids³ ; Janis Kliava⁴ ; ¹Tallinn University, Tallinn, Estonia; ²Tartu University, Tartu, Estonia; ³Riga Technikal University, Riga, Latvia; ⁴, , ;
Paper Id: 221 [Abstract]

This paper presents the results of the investigation of stresses relaxation by strain, by means of EPR spectra, SEM, and samples deflection. It has been shown that stresses relaxation mechanism depends on the oxidation condition: temperature, cooling rate, oxide thickness. In the Si-SiO2-Si3N4 system, the stresses relaxation occurs due to the opposite sign of the thermal expansion coefficient of SiO2 and Si3N4 on Si. With an appropriate oxidation condition choice, compressive stresses in SiO2 and tensile stresses in Si are nearly equal and disappear on the interface.

12:00: [SISAMTueAM03]
Light to Hydrogen Processes and Relative Phenomena in the Transition Metal Oxides and Silver and Cuprous Halides
Alexander Gavrilyuk¹ ; ¹Ioffe Physical Technical Institute of the Russian Academy of Sciences, Saint-Petersburg, Russian Federation;
Paper Id: 224 [Abstract]

WO3, MoO3, and V2O5 are famous �hydrogenphilics� capable of accommodating of great quantities of hydrogen atoms, which yields dramatic changing of the optical parameters. Photoinjection of atomic hydrogen was carried out into the oxide films; hydrogen being split off from adsorbed hydrogen-containing molecules (hydrogen donors) previously adsorbed on the oxide surface via a photochemical reaction. Being an excellent reducing agent, often a latent agent, and playing the role of a dopant or a catalyst, sometimes, combining both functions, atomic hydrogen triggers various processes on the solid surface. The adsorption mechanism for specially selected organic molecules (hydrogen donors) has been described. The great catalytic effect for the photochemical reaction of abstraction of hydrogen atoms from the adsorbed organic molecules has been achieved due to formation of donor-acceptor and hydrogen bonds, which perturbs both electronic and ionic systems of the molecules. The experiments, carried out in the wide temperature range, made it possible to consider the reaction mechanism as the proton-coupled electron transfer (PCET) between the adsorbed molecule and the oxide surface. A non-zero low temperature reaction rate limit was discovered, which is a reliable evidence for a tunneling mechanism reaction. The changes in the oxide optical properties in the wide spectral range upon insertion of hydrogen atoms have been considered. Special attention has been paid to formation of different color centers: bulk and surface (paramagnetic and diamagnetic). The nature of the giant shift of the fundamental absorption edge in the V2O5 nanocrystalline has been discussed. The function of the photochemical hydrogen as a catalyst for surface chemical reaction, yielding formation of other nanostructures, has been investigated. Several examples of hydrogen photosensitization carried out simultaneous to illumination in silver and cuprous halides are presented. The performances of the nano-heterostructures employing hydrogen photo-initiated spillover are discussed. The function of the photochemical hydrogen as a catalyst for secondary surface photochemical reactions has been shown. Several examples of hydrogen photosensitization carried out simultaneous to illumination in silver and cuprous halides have been observed in the double-layer structures: AgCl-WO3, AgI-WO3, RbAg4I5-WO3, and CuCl-WO3. First, the direct PIH into the WO3 films has been carried out, and then the detached hydrogen atoms migrating into the halide layer provided formation of sensitization centers, which enhanced the photolysis of the halides. The currently proceeding investigations have been showed the perceptiveness of the multifunctional materials on the base of the transition metal oxides either for fundamental or applied research.

12:30: [SISAMTueAM04] Invited
Physical Properties of Highly Effective New Generation Catalysts Based on Intermetallic Compounds
Magdalena Wencka¹ ; ¹Institute of Molecular Physics, Polish Academy of Sciences, Poznan, Poland;
Paper Id: 273 [Abstract]

Intermetallic compounds are known as highly selective, effective and long-lasting new generation catalysts in processes of green hydrogen production via methanol steam reforming and carbon dioxide reduction to methanol and production of plastics on the way of semi-hydrogenation of acetylene. Adsorption properties of surfaces play a key role and are determined predominantly by electronic effects, while geometrical and vibrational properties of the adsorbate-substrate complex provide 'fine-tuning' of the adsorption behavior. Numerous studies investigating the hydrogenation of acetylene and ethylene have lead to the development of the active site isolation concept. For this weakly adsorbed acetylene where the π-bonds are interacting with the surface (π-adsorbed acetylene) will be transformed to ethylene (the desired chemical reaction), while stronger di-σ adsorbed acetylene will undergo undesired full hydrogenation or form carbonaceous deposits that will deactivate the catalyst. Basic idea of the active-site-isolation concept is to surround the catalytically active atoms by atoms of another inactive chemical element, so that the active atoms are isolated by spatial separation. The isolated active sites show preference for the π-adsorbed acetylene, resulting in high selectivity for the semiehydrogenation of acetylene to ethylene, while in the absence of spatial separation (i.e., when many active atoms are close neighbors) the catalyst material is less selective. Intermetallic compounds GaPd, GaPd₂ and Ga₇Pd₃ were demonstrated to show superior catalytic selectivity and stability over the commercial Pd-based catalysts in the semi-hydrogenation of acetylene in a large excess of ethylene, which is an important step in the purification of the ethylene feed for the production of polyethylene. The selectivity of these compounds to ethylene was reported to be between 65 and 75%, which is much higher than that of a commercial Pd/Al₂O₃ supported catalyst, where a selectivity of 15-20% was reported for the 5% Pd/Al₂O₃. High selectivity is considered to result from specific crystalline structures of these compounds, while good stability under the reaction conditions originates from strong covalent chemical bonding in the structure. The metallic character of the Ga-Pd compounds also allows for a substantial electronic density of states (DOS) near the Fermi level, which is a prerequisite for facile activation of di-hydrogen H2 as a reactant. The difference in selectivity between these compounds was found small, with the GaPd₂ selectivity being the highest and that of Ga₇Pd₃ the lowest. I shall present electronic, thermal and magnetic properties of the Ga-Pd phases along orthogonal directions of the structures. By using ⁶⁹Ga and ⁷¹Ga NMR spectroscopy, the electric-fieldgradient (EFG) tensor at the Ga site in the unit cell and the Knight shift, which yields the electronic DOS at the Fermi energy ε_F were determined. Since the catalyst material in a chemical reaction should exhibit as large surface as possible, the nanoparticle morphology of the material is preferred under realistic conditions, but the physical properties of the nanoparticles may differ substantially from those of the bulk. To see the change of electronic properties of the GaPd₂ phase on going from the bulk material to the nanoparticles morphology, the GaPd₂/SiO₂ supported nanoparticles were synthesized and determined their electronic DOS at ε_F from the ⁷¹Ga NMR spin-lattice relaxation rate, which was then compared to the DOS of the bulk. This work complements recent studies of physical properties of the GaPd and InPd intermetallic catalysts.

SESSION: SISAMTuePM-R9	3rd Intl. Symp. Surfaces and Interfaces of Sustainable, Advanced Materials (SISAM)
Tue Oct, 24 2017	Room: Condesa III
Session Chairs: Spomenka Kobe; Christian Teichert; Session Monitor: TBA

14:30: [SISAMTuePM05] Plenary
Interfaces of Organic Semiconductor Molecules with Two-dimensional Materials
Christian Teichert¹ ; ¹Montanuniversitaet Leoben, Leoben, Austria;
Paper Id: 334 [Abstract]

Crystalline films of small conjugated molecules offer attractive potential for fabricating organic solar cells, organic light emitting diodes (LED), and organic field effect transistors (OFETs) on flexible substrates. Here, the novel two-dimensional (2D) van der Waals materials like conducting graphene (Gr) or insulating ultrathin hexagonal boron nitride (hBN) come into play. Gr, for instance, offers potential application as a transparent conductive electrode in organic solar cells and LEDs replacing indium tin oxide, whereas hBN can be used as a ultrathin flexible dielectric in OFETs. We report on the self-assembly of crystalline needles composed of rod-like molecules on exfoliated, wrinkle-free Gr and hBN, both transferred onto SiO2. The needles are several 10 nm wide and a few nm high, they can extend to several 10 �m in length. The discrete needle directions with respect to armchair and zigzag directions of the substrates were determined by atomic-force microscopy (AFM). Through in-situ measurements during molecule deposition on Gr in field-effect transistor device geometries, the charge transfer at the interface was directly probed. The amount of charge transferred per adsorbed molecule is only about one thousandth of an electron transferred per molecule. Further, electrostatic force microscopy (EFM) based charging and charge spreading experiments demonstrate the optoelectronic properties of the organic nanoneedles.

15:00: [SISAMTueAM06] Invited
The Interface Analyses of Heavy Rare Earth Doped Spark Plasma Sintered Melt Spun Ribbons
Spomenka Kobe¹ ; Kristina Zagar² ; Marko Soderznik² ; Barbara Novosel³ ; Rafal Dunin Borkowski⁴ ; Andras Kovacs⁵ ; Martial Duchamp⁶ ; ¹Josef Stefan Institute, Ljubljana, Slovenia; ²Jozef Stefan Institute, Ljubljana, Slovenia; ³Faculty of Chemistry and Chemical Technology, Ljubljana, Slovenia; ⁴Forschungszentrum J�lich, J�lich, Germany (Deutschland); ⁵Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons, Juelich, Germany (Deutschland); ⁶Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons, School of Materials Science and Engineering Nanyang Technological University, Singapore, Singapore, Singapore;
Paper Id: 261 [Abstract]

Permanent magnets based on Nd-Fe-B are the highest energy magnets for more than 30 years and are vital components in the rapidly-developing renewable energy sector, where the motors for electric vehicles and the generators in wind turbines require strong magnets with the ability to operate at temperatures well over 100�C. In 2014 EU published a new list of critical raw materials (CRM). Regarding supply risk, the rare earth was considered to be by far the most problematic and especially the heavy rare earth (HRE) are far above all light rare earth. Since HRE such as dysprosium or terbium is required to assure the high-temperature performance of the magnets, our research has focused on drastic decrease the amount of this elements and to achieve the same quality in sintered magnets as well as in the basic powers used for bonded magnets. Our research was focused on HRE free Nd-Fe-B melt spun ribbons doped with small amounts of DyF3 to improve the coercivity and to minimize the need for HRE. We will report on the correlation between magnetic properties, the amount of the additive, and the processing parameters. The explanation of the HRE influence on the improved properties will be based on microstructural analysis using high-resolution electron microscopy and chemical analyses. We will show that the addition of DyF3 up to 2.2 wt.% to the melt-spun powder showed a positive effect on the Hci of the heat-treated samples. The maximum coercivity (Hci) achieved represents a 25 % increase over the untreated samples. The interphase between the grains was thoroughly studied. The EEL results, which confirmed EDX investigations showed in the case of annealed sample the (Dy, Nd)-Fe-B phase formation at the shell around the pure Nd-Fe-B core grains. The high increase in Hci is strongly linked with the heat-treatment process where Dy diffused along grain boundaries into the outer parts of Nd-Fe-B grains and partial substitute Nd by Dy forming core-shell-like grains. We will document that fluorine does not penetrate into the grains but it accumulates in the grain boundary regions. Furthermore, the thermal gravimetric reaction coupled with mass spectroscopy revealed that none of the toxic fluorine-based compounds evaporate or form during heat-treatment to 1200 �C. Therefore, we can conclude that our technique for boosting the Nd-Fe-B magnets with small amount of DyF3 is one of the most efficient and environment safe processes.

15:30: [SISAMTueAM07]
Synthesis and characterization of dandelion-like ZnS with high antibacterial activity
Zhoucheng Wang¹ ; ¹Xiamen University, Xiamen, China;
Paper Id: 289 [Abstract]

Nanostructure materials have been the subject of widespread research over the past couple of decades. Recent experiments on nanostructure materials have revealed a host of novel physical and chemical properties, which are significantly different from that of the conventional materials. Many workers are devoted to developing new synthesis methods to fabricate materials with novel nanostructures. ZnS, as a vital wide-gap semiconductor, has been extensively investigated due to its outstanding photoelectric effect, high catalytic activity and wide applications. Recently, ZnS nanomaterials with various geometrical shapes such as 1D wire, rod, or 2D sheet, belt and so on, have been prepared using variety of physical or chemical methods [1-2]. Dandelion-like ZnS materials assembled by 2D nanosheets or 1D nanowires are of great interest as they provide extremely large specific surface areas and unique porous microstructure [3]. However, research into the 3D nanostructure ZnS assembled by 1D ZnS nanowires is still less dealt with. What��s more, majority researchers were devoted to photoluminescence and photocatalytic, few of them pay enough attention to the antibacterial activity of ZnS. Microbial contamination has become increasing difficult to control owing to the resistance offered by microbes against conventional antimicrobial agents. It is well-know that inorganic nanomaterials, such as TiO2, AgPO3, ZnO, reveal high antibacterial activities [4-5]. To date, only scant information about antibacterial ability of the ZnS has been recorded. In this work, dandelion-like ZnS has been prepared via the method of facile one-pot hydrothermal synthesis. The dandelion-like ZnS was characterized by transmission electron microscope, scanning electron microscope, energy dispersive spectrometer and X-ray diffraction. The results reveal that the surface topographies of the 3D dandelion-like ZnS particles are actually assembled by plenty of interlaced 1D ZnS nanowires. The influence of reaction time, reaction temperature, Zn/S mole ratio and different zinc and sulfur sources to the dandelion-like structure were investigated. The dandelion-like ZnS exhibits superior ability in inhibiting the growth of Escherichia coli, which makes it promising candidate for biological materials. The large specific surface area, porous surface morphology and the releasing of the Zn2+ ions are considered probable causes for the high antibiotic activity of the dandelion-like ZnS.

16:00: [SISAMTueAM08]
Closing Remarks
Jean-marie Dubois¹ ; ¹Institut Jean Lamour, Nancy, France;
Paper Id: 368 [Abstract]

Official closing remarks to SISAM.

SESSION: CompositeWedAM-R9	5th Intl. Symp. on Composite, Ceramic and Nano Materials Processing, Characterization and Applications
Wed Oct, 25 2017	Room: Condesa III
Session Chairs: Fumio Ogawa; Kamlesh Phapale; Session Monitor: TBA

11:00: [CompositeWedAM01] Invited
Characterization in Drilling Process of Carbon Fiber Reinforced Plastic Composite Materials
Kamlesh Phapale¹ ; Sandip Patil² ; Shreyans Khot² ; Ramesh Singh² ;⁰ ; ¹Bharat Forge Ltd., Pune, India; ², , ;
Paper Id: 215 [Abstract]

Composite materials are the emerging material for enormous applications in various engineering domains, due to its extremely high strength to weight ratio and corrosion resistance properties. The composite laminates are difficult to machine materials, which results into low drilling efficiency and drilling-induced delamination. Drilling is a widely used technique to assemble components specifically, in more complex structures. In the aircraft industry, about 60% of part rejections come from drilling-associated delamination. This study presents the experimental characterization to understand the effect of cutting parameters used for drilling holes on the thrust force, delamination extent, hole surface roughness and exit hole diameter using two-flute solid carbide twist drill of diameter 6.35mm. It also describes the identification of critical thrust force below which no damage occurs. The analysis shows that feed rate plays a dominant role in delamination, thrust force, hole surface roughness and exit hole diameter than the spindle speed.

11:30: [CompositeWedAM02]
Sintering of ZrB2-based Ceramic Composites Prepared by HP, SPS, HP-HT Sintering Techniques
Annamaria Naughton Duszova¹ ; Elzbieta Baczek¹ ; Aleksandra Dubiel¹ ; Marcin Podsiadło¹ ; Paweł Rutkowski² ; ¹The Institute of Advanced Manufacturing Technology, Krakow, Poland; ²AGH University of Science and Technology, Krakow, Poland;
Paper Id: 312 [Abstract]

Ultra-high temperature ceramics (UHTCs) include borides, carbides, and nitrides with melting temperatures above ∼2700⁰C. The UHTCs have been investigated for high temperature applications including thermal protection systems for hypersonic aerospace vehicles. Three types of zirconium boride based systems (monolithic ZrB2, ZrB2 with 2 wt% of SiC and 2 wt% of B4C) were fabricated and compared by a sintering techniques; Hot Press (HP), Spark Plasma Sintering (SPS) and special sintering technique High Pressure-High Temperature (HP-HT) Bridgman type apparatus. The aim of the present contribution was to investigate the comperison of the obtained samples by different techniques. Hot pressing was conducted in the AGH University of Science and Technology. Thermal Technology LLC equipment was used. All samples were sintered in argon flow, the heating rate was 10⁰/min, the soaking time was 30min and applied pressure was 25 MPa. Sample without sintering additives was sintered at 2100⁰C and samples with B4C and SiC were sintered at 2050⁰C. Spark Plasma Sintering was conducted using HPD5 type, FCT system equipment. Samples were sintered in argon, under 35 MPa. The heating and cooling rate was 200⁰/min and soaking time was 10 min. The sintering temperatures were varying between 1700⁰C and 2100⁰C for pure ZrB2 and between 1700⁰C and 2000⁰C for samples with sintering aids. For samples with SiC and B4C additives, higher temperatures were not applied because liquid phase appeared in 2000⁰C and further heating could have cause damage of dye and equipment. In High Pressure-High Temperature (HP-HT) method, the temperature of process was 1900 ± 50⁰C and the pressure 7.2 GPa. After sintering samples were prepared for further investigation by cutting grinding and polishing. Samples achieved using HP-HT method exhibited the highest mechanical properties. The hardness of the monolith was approximately 15,2 GPa which after the SiC addition increased to a value of 18 GPa. The highest hardness was measured for the system ZrB2+B4C with a value of approximately 20 GPa.

12:00: [CompositeWedAM03]
Carbon Nanotube-Reinforced Aluminum Matrix Composites Fabricated by Hot Extrusion of Ball-milled Powders Encapsulated in Aluminum Containers
Fumio Ogawa¹ ; Chitoshi Masuda² ; ¹Ritsumeikan University, Kusatsu, Japan; ²Kagami Memorial Institute for Materials Science and Technology, Waseda University, Shinjuku-ku, Japan;
Paper Id: 229 [Abstract]

Carbon nanotubes (CNTs) and aluminum powder were mixed using ball-milling. Two types of CNTs were adopted; one is vapor grown carbon fibers (VGCFs) with average diameter of 150 nm, while the other is multi-walled carbon nanotubes (MWCNTs) with average diameter of 65 nm. Mixing of CNTs with aluminum powder was performed at rotation speed of 200 rpm and mixing duration was 3 h. The weight fraction of stainless-steel balls to the mixture of CNT and aluminum powder was 20:1. The mixed powders were encapsulated in the A1050 containers in vacuum of 10-5 Torr. Then, the container was served as an extrusion billet. Hot extrusion was performed at 550 oC with extrusion ratio of 9. Composites reinforced by above mentioned two types of CNTs were fabricated using the same condition. Mechanical and thermal properties of composites were evaluated. Vickers microhardness of both of composites was higher than 100HV, and it increased with reinforcement volume fraction. That of MWCNT-reinforced composites was higher than that of VGCF-reinforced composites. Tensile strength of MWCNT-reinforced composites was also higher than that of VGCF-reinforced composites and was over 450 MPa. Fracture strain of 0.5% MWCNT-reinforced composite was 37.2% that was the highest among the values reported in the literature. Thermal conductivity of VGCF-reinforced composites was higher than that of MWCNT-reinforced composites. That of 0.5% VGCF-reinforced composites was 203.7 W/mK. Composites with tensile strength, fracture strain and thermal conductivity that are high compared to the values reported in past could be fabricated via simple process except for minimizing CNTs damage during mixing and by prevention of oxidation and excessive reaction of CNTs with aluminum matrix retaining effective densification during hot extrusion.

12:30: [CompositeWedAM04]
Advances in the Field of CERAMIC-MATRIX Composites: A Review
Martin Pech Canul¹ ; Jose C. Flores Garcia¹ ; Socorro Valdez² ; H�ctor Hern�ndez Garc�a³ ; Maximo Pech Canul⁴ ; Jorge Lopez Cuevas¹ ; Juan Carlos Rendon Angeles⁵ ; ¹Cinvestav-Saltillo, Ramos Arizpe, Mexico; ²Instituto de Ciencias Fisicas-UNAM, Cuernavaca, Mexico; ³COMIMSA, Saltillo, Mexico; ⁴Cinvestav Merida, Merida, Mexico; ⁵Cinvestav Saltillo, Ramos Arizpe, Mexico;
Paper Id: 55 [Abstract]

Ceramic matrix composites (CMCs) are materials with structural and functional attributes. The types of ceramic-matrix composites include, amongst the most important: Al2O3-ZrO2 composites, SiC particulate/Si3N4 matrix composites, SiC whisker /Al2O3 matrix composites, SiC whisker/Si3N4 matrix composites, continuous fiber/glass matrix composites, carbon/carbon composites, SiC/SiC composites and oxide/oxide composites. Albeit the design philosophy was initially oriented towards toughening CMCs, considering structural applications, nowadays, and owing to the growing demand for modern engineering applications, researchers are paying attention to the functional features. Current research and development of composite materials has paid special attention to the design and fabrication of CMCs having phases at the nanometer scale. Recent scientific and technological publications on the subject include Li3V2(PO4)3/C composite cathode for Li ion battery and Ni-SiO2 nanocomposite for MISFET gate dielectric. Based on the current literature, in this contribution, authors present a review on the state-of-the-art in the development, processing, characterization and applications of ceramic-matrix composites.

SESSION: CompositeWedPM-R9	5th Intl. Symp. on Composite, Ceramic and Nano Materials Processing, Characterization and Applications
Wed Oct, 25 2017	Room: Condesa III
Session Chairs: Adriana Medina Ramirez; Beatriz Ruiz Camacho; Session Monitor: TBA

14:30: [CompositeWedPM05]
Smart Core-shell Nanocontainers with Kaolinite For Improved Corrosion Protection of Zinc Coating on Steel
Kamelia Kamburova¹ ; Neli Boshkova² ; Nikolai Boshkov¹ ; Tsetska Radeva¹ ; ¹Institute of Physical Chemistry, Bulgarian Academy of Sciences, Sofia, Bulgaria; ²Institute of PhysicaL Chemistry, Bulgarian Academy of sciences, Sofia, Bulgaria;
Paper Id: 230 [Abstract]

Core-shell nanocontainers (NCs) with corrosion inhibitor benzotriazole (BTA) are prepared using layer-by-layer assembly of poly(diallyldimethyl ammonium chloride) (PDADMAC) and poly(acrylic acid) (PAA) on kaolinite nanoparticles. Entrapment of BTA into the polyelectrolyte shell is realized in the assembly step. Electric light scattering method and electrophoresis are used for characterization the electrical properties of the NCs and for determination of their size during the assembly procedure. The BTA loaded NCs are incorporated into the matrix of a zinc coating during electrodeposition process on low carbon steel surface. The distribution of the NCs in the hybrid zinc coating and the almost complete lack of aggregation during the electrodeposition process are demonstrated by scanning electron microscopy (SEM). The influence of the NCs on the cathodic deposition process and on the anodic dissolution processes is checked with cyclic voltammetry (CVA). The protective properties of the composite coatings are characterized by selected test methods like Potentiodynamic polarization (PDP) and Electrochemical Impedance Spectroscopy (EIS). Additionally, X-ray diffraction (XRD) is applied in order to establish the influence of NCs on the metallographic structure of the electrodeposited coating.

15:00: [CompositeWedAM06]
Deposition of Metals on Vapor Grown Carbon Fibers via in-situ Chemical Vapor Deposition and Fabrication of Metal Matrix Composites Utilizing Coated Fibers
Fumio Ogawa¹ ; Chitoshi Masuda² ; Hidetoshi Fujii³ ; ¹Ritsumeikan University, Kusatsu, Japan; ²Kagami Memorial Institute for Materials Science and Technology, Waseda University, Shinjuku-ku, Japan; ³Joining and Welding Research Institute, Osaka University, Ibaraki, Japan;
Paper Id: 238 [Abstract]

Aluminum, nickel, silicon and titanium were deposited on the surface of vapor grown carbon fibers (VGCFs) via simple and cost effective in situ chemical vapor deposition (in situ CVD) utilizing iodine to transport metallic atoms. For aluminum coating, coating layer was formed by annealing at 500oC. It was confirmed that metallic aluminum layers were almost homogeneously formed on VGCFs. Aluminum matrix composites reinforced by aluminum-coated VGCFs were fabricated via powder metallurgy (PM). Tensile strength of aluminum matrix composites was improved by coating treatment. For nickel coating, coating layer was formed by annealing at 600oC. It was found that metallic nickel coating that consisted of grains with the size of ~5 nm was formed. The wettability of sheets consisting of nickel-coated VGCFs by molten aluminum was investigated. It was apparent that the wettability was improved by the coating treatment. Aluminum matrix composites containing nickel-coated VGCFs were fabricated via hot extrusion of mixed powder of Al-7Si and VGCFs at semi-solid temperature. It was found that Vickers microhardness values were improved owing to nickel coating treatment of VGCFs because of improved interaction of aluminum matrix and VGCFs at the interface. For silicon coating, coating layer was formed by annealing at 1100oC. Coating layer consisted of metallic silicon, although the surface of the coating layer was oxidized. For titanium coating, reaction of VGCFs with titanium and conversion of VGCF surface into titanium carbide (TiC) was confirmed. It was also found that the extent of reaction could be varied by the amount of iodine, annealing temperature and annealing duration.

15:30: [CompositeWedAM07]
Synthesis and Characterization of Zeolite Membranes on Zirconia and Calcium Silicate Substrates
Adriana Medina Ramirez¹ ; Gabriela Maricela Gonzalez Vega² ; Georgina Garcia³ ; Beatriz Ruiz Camacho⁴ ; ¹Universidad de Guanajuato, Campus Guanajuato, Guanajuato, Mexico; ²University of La Cienega, sahuayo de morelos, Mexico; ³University of La Cienega, Sahuayo, Mexico; ⁴Universidad de Guanajuato, Guanajuato, Mexico;
Paper Id: 75 [Abstract]

In the present work we report the synthesis of zeolite membrane on zirconium oxide and calcium silicate supports by secondary growth method. The effect of type of zeolite was evaluated on the formation of a homogeneous zeolite layer. Zirconia and calcium silicate disks of one centimeter of diameter were functionalized by (3-Mercaptopropyl)trimethoxysilane (MPS) and then they were rubbed with zeolite seeds. Two zeolite types were studied: LTA and MER. The functionalized substrates were submitted to hydrothermal treatment at 100°C, for 4 h and 175°C for 16h for LTA and MER zeolites, respectively. The products were characterized by SEM, XRD and IR techniques. The results indicated that the LTA zeolite led to formation of a homogeneous zeolite membrane on both substrates. While MER zeolite membrane only was obtained on the zirconia substrate. The nature of the substrate and the MPS had an important effect on the zeolite type growth on the substrate. The homogeneous zeolite membranes were soaked in a simulated body fluid in order to evaluate the formation of apatite layer this response could be associated to possible applications as bone filler.

16:00: [CompositeWedAM08] Plenary
[Boron-related materials, preparation, structure and application] An Overview of the Versatility of Silicon Nitride as Structural, Functional and Bioceramic Material
Martin Pech Canul¹ ; Milka Del C. Acosta Enriquez² ; Eulices B. Acosta Enriquez³ ; Ena A. Aguilar Reyes⁴ ; Carlos A. Leon Patino⁵ ; Florian Kongoli⁶ ; ¹Cinvestav-Saltillo, Ramos Arizpe, Mexico; ²Universidad de Sonora, Departamento de Investigacion en Fisica, Hermosillo, Mexico; ³Universidad de Sonora, Departamento de Fisica, Hermosillo, Mexico; ⁴4Universidad Michoacana de San Nicolas de Hidalgo, Instituto de Investigacion en Metalurgia y Materiales, Morelia, Mexico; ⁵UNIVERSIDAD MICHOACANA, Morelia, Mexico; ⁶Flogen Technologies Inc., Mont-Royal, Canada;
Paper Id: 303 [Abstract]

The scope of applications of silicon nitride (Si3N4) has increased notably in the last years. In addition to its well-known structural properties, not only it has been considered as matrix or reinforcement in metal and ceramic composites but also as electronic material and biomaterial. Owing to the variety of phase shapes in which it can be produced, namely, particles, whiskers, fibers, films and coatings, Si3N4 is selected for various applications. Recently, orthopedic applications and bacteriostatic characteristics of silicon nitride compared to that of titanium biomaterials have been reported. Inherent to the potential of Si3N4 is the synthesis route used. The hybrid system chemical vapor deposition (or infiltration) (HYSY-CVD, HYSY-CVI) route has been proposed and applied for synthesizing Si3N4 in a variety of morphologies. Alpha silicon nitride produced by this route has also been reported as a promising candidate for emitting in the blue light region. In this contribution, authors present a review on the most recent applications of Si3N4, including structural and functional applications, as electronic material and as bioceramic or biomaterial.

SESSION: CompositeThuAM-R9	5th Intl. Symp. on Composite, Ceramic and Nano Materials Processing, Characterization and Applications
Thu Oct, 26 2017	Room: Condesa III
Session Chairs: Martin Pech-Canul; Beatriz Ruiz Camacho; Session Monitor: TBA

11:00: [CompositeThuAM01]
Diamond-Like Carbon Coatings: Synthesis, Properties, and Applications
Indrit Vozga¹ ; Jorgaq Kacani² ; ¹, Tirana, Albania; ²Universiteti Politeknik Tirane, Tirane, Albania;
Paper Id: 114 [Abstract]

Diamond-like coatings, or DLCs, are a class of materials comprised primarily of amorphous and nano-crystalline carbon. DLCs offer a unique range of properties, many of which are tunable, that can improve the performance of current technology as well as offer novel engineered systems not previously possible. A few of the superior properties of DLCs are high wear resistance, high hardness, extreme thermal conductivity, excellent chemical resistance, high resistivity, and high optical transmision[1]. Not only are these properties superior to previous materials, they can be enhanced for specific applications by adjusting the parameters during the deposition. The methods of producing DLCs are myriad[2]; they include ion beam deposition, radio frequency plasma enhanced chemical vapor deposition (r.f.-PECVD), filtered cathodic vacuum arc (FCVA), ion plating, plasma immersion ion implantation and deposition (PIIID), ion beam sputtering, pulsed laser deposition, DC magnetron sputtering[3], and laser sintering[4] among others. Each technique offers specific advantages or enhancement of certain of the noted properties. Many of these techniques are currently used in an industrial capacity already, this makes future implementation easier. This paper will describe the structural characteristics of typical DLC systems, synthesis of the coatings and their applications

11:30: [CompositeThuAM02]
[Boron-related materials, preparation, structure and application] The Effect of Alkali Concentration on the Structural and Magnetic Properties of Mn-Ferrite NanoparticlesPrepared via the Coprecipitation Method
Somayeh Pourbafarani¹ ; ¹Isfahan university, Tehran, Iran (Islamic Republic of Iran);
Paper Id: 256 [Abstract]

Chemistry plays an important role in the development of novel nanostructural materials ,and a simple control of solution chemistry can lead to speific changes in crystallite properties. One of the chemical techniques in the synthesis of nanoparticles is coprecepitation.The advantages of using this method are that the structural and morphological properties of nanoparticles can be varied by controlling the chemical and physical parameters of the reaction medium such as the alkali concentration, reaction temperature, molar ratio of salts, ionic strength of aqueous medium, and reaction time. In this work, MnFe2O4 nanoparticles were synthesised using the coprecipitation method under two di&#64256;erent NaOH concentration settings as reaction agents at 355 K (82 C). Structural and morphological properties of the nanoparticles were examined using X-ray di&#64256;raction and a scanning electron microscope. The decrease of NaOH concentration led to the increase of particle size, more crystallinity and a narrower particle size distribution. The results were evaluated from a chemical point of view and were based on the supersaturation level, which was in&#64258;uenced by alkali concentration. It was concluded that the higher NaOH concentration led to a more rapid nucleation and more random cation distribution.. The magnetic properties of the nanoparticles examined by permeameter and faraday-balance equipment were consistent with the structural and morphological properties of the particles.

12:00: [CompositeThuAM03]
TaC-Containing Ti(CN)-WC-Ni/Co Cermets for the Improved Machining Performance
Vikas Verma¹ ; B. V. Manoj Kumar² ; ¹, ROORKEE, India; ²IIT ROORKEE, ROORKEE, India;
Paper Id: 206 [Abstract]

Present research deals with the study of cutting forces and dominant crater wear mechanisms responsible for material removal from the cutting edge of TaC-containing Ti(CN)-WC-Ni/Co based cermet tools during machining. TiCN based cermet compositions Ti(CN)-5WC-20Ni and Ti(CN)-5WC-10Ni-10Co-5TaC (in wt.%) processed via conventional sintering and SPS were selected for turning operations performed for 0.5 mm/rev feed rate and 0.9 mm depth of cut at 133 rpm for 180 sec and 435 rpm for 60 sec against 304 stainless steel rod and results were compared with commercially available cemented carbide tip (CCT) tool. Representative images of polished surfaces of sintered cermets revealed core rim morphology. The size and the frequency of the carbide size appear to differ with the cermet composition and processing technique in the SEM (BSE) images of the processed cermets. Higher cutting forces resulted at lower speed compared to higher speed. At lower speed, cutting edge of the tool tends to plough into workpiece surface to a larger extent and as the cutting speed increases, cutting becomes steady with a consequent reduction in the cutting force. Among the investigated tool materials, lower cutting force is observed in SPSed Ti(CN)-5WC-10Ni-10Co-5TaC cermet. The worn tool surface of conventional Ti(CN)-5WC-20Ni cermet showed cracks, grain pull-out and fracture at 133 rpm, while the intensity of crack, grain pull-out, and fracture increased at 435 rpm. Hard asperities or wear particles act as sharp indenters and generate cracks, which on further propagation and intersection lead to grain pull-outs on the cermet tool surface. Worn tool surface of conventionally sintered and SPSed Ti(CN)-5WC-10Ni-10Co-5TaC cermet revealed increased resistance against crack or fracture. Presence of adhered layer beneath the tool face of SPSed Ti(CN)-5WC-10Ni-10Co-5TaC cermet protected the tool from getting damage by continous rubbing during machining. Worn surfaces of cemented carbide tip tool revealed deeper abrasion and grain pull-out at 435 rpm. Ploughing harder tungsten oxide into the workpiece during machining led to deeper abrasion.

12:30: [CompositeThuAM04]
[Boron-related materials, preparation, structure and application] Zeolite Coating on Glass Spheres: Effect of Physical and Chemical Modification
Georgina Garcia¹ ; Adriana Medina Ramirez² ; Beatriz Ruiz Camacho³ ; Cristian Navarro Anaya⁴ ; ¹University of La Cienega, Sahuayo, Mexico; ²Universidad de Guanajuato, Campus Guanajuato, Guanajuato, Mexico; ³Universidad de Guanajuato, Guanajuato, Mexico; ⁴Universidad de La Cienega del Estado de Michoacan de Ocampo, Sahuayo, Mexico;
Paper Id: 201 [Abstract]

The development of zeolitic coatings has attracted the attention because of the specific properties of these materials. The coating on different surface can contribute to solving the problems related to classical zeolite catalyst, such as powder crystals, microgranules and pellets. The zeolite coatings improve the mass transfer, low pressure and flow patterns. For these reasons in the present work, we studied the zeolite coating formation on glass sphere. The effect of physical and chemical modification of the substrate on zeolite coating formation was evaluated. The glass spheres were grinding using SiC paper and then they were soaked in a polyelectrolyte solution (PDDA, APS, or PEI). Afterward, the modified spheres were submitted to hydrothermal treatment using a batch composition 0.0257K2O: 0.0146 Na2O: 0.0146Al2O3: 0.0557SiO2: 0.829H2O at 448 K for 24 h. According to XRD results, the coating formed on the functionalized sphere corresponded to merlinoite and philipsite phases. It was found that the pretreatment of the spheres enhances the formation of a homogeneous zeolite coating with improved textural properties compared to the coating obtained on the glass sphere without previous treatment. These properties make these materials useful for adsorption and catalytic processes.

SESSION: CompositeThuPM-R9	5th Intl. Symp. on Composite, Ceramic and Nano Materials Processing, Characterization and Applications
Thu Oct, 26 2017	Room: Condesa III
Session Chairs: Weiping Gong; Carlos A. Leon-Patino; Session Monitor: TBA

14:30: [CompositeThuPM05]
Combined Computational and Experimental Investigation on the Sm2O3-BaO System
Weiping Gong¹ ; ¹Huizhou University, Huizhou, China;
Paper Id: 172 [Abstract]

The thermodynamic database of the Sm2O3-BaO system are of interest for predicting the phase relation of the functional materials. To set up the database of this system, heat capacity of the intermediate compound BaSm2O4 was measured by differential scanning calorimetry and its formation enthalpy from the component oxides at 298 K were measured by high temperature oxide melt solution calorimetry. Using the available phase equilibrium information and thermodynamic data, the thermodynamic optimization on the Sm2O3-BaO system were carried out by means of the CALPHAD technique. A self-consistent database of the Sm2O3-BaO system was set up and was used to calculate the phase diagram and thermodynamic properties of the Sm2O3-BaO system, which will be used for calculations in Sm2O3-BaO containing higher order systems. Keywords: Sm2O3-BaO; BaSm2O4; CALPHAD; heat capacity; enthalpy formation

15:00: [CompositeThuAM06]
Digital image correlation (DIC) technique for fracture toughness calculation of microalloyed steel (38MnVS6).
Akshay Patil¹ ; ¹bharat forge, pune, India;
Paper Id: 328 [Abstract]

The present work shows the practical application of digital image correlation (DIC) technique for fracture toughness (KIC) calculation. DIC is a non-contact, optical technique for measuring full-field displacements and strains by comparing an image of a deformed specimen surface to a reference image taken at un-deformed state. These captured images are correlated and the surface displacements are calculated from which the crack mouth opening displacements (CMOD) is determined. Results of DIC fracture toughness (KIC) value is validated by comparison with fracture toughness (KIC) value calculated from clip gauge. It is observed that the results obtained by DIC are in close agreement with the results obtained through conventional methods.

15:30: [CompositeThuAM07]
[Boron-related materials, preparation, structure and application] Enhancement of Surface Potential in Hydrothermally Synthesized Co3O4-reduced Graphene Oxide Nanocomposites
Amodini Mishra¹ ; ¹SCHOOL OF PHYSICAL SCIENCES, New delhi, India;
Paper Id: 266 [Abstract]

Graphene, a one-atom-thick two-dimensional (2D) single layer of sp2-bonded carbon, has garnered much attention in the field of material science in recent years because of its extraordinary electrical, thermal, mechanical, and structural properties. These unique and intriguing features make this highly versatile carbon material promising in many potential applications such as nanocomposites transparent conducting films, sensors, super capacitors nanoelectronics batteries and so on. Graphene and graphene oxide (GO) based nanocomposites have attracted tremendous attentions due to their many excellent properties arising from either the components themselves or functionalization and energy. Magnetic nanoparticles are most investigated nanomaterials systems due to their magnetic properties depend on their shape, size and morphology. Several factors are responsible for the unique properties of magnetic nanomaterials such as finite size effects due to the quantum confinement of the electrons inside the material. In this work, CO3O4/graphene oxide nanocomposites have been prepared by hydrothermal method with at different concentration of CO3O4 . The phase formation of the compound is confirmed using XRD technique and found that the CO3O4 NPs of size 23 nm were dispersed on to graphene sheets .The surface of morphology of the compounds is studied at different magnification at room temperature using SEM and TEM techniques. Study of magnetic properties of nanocomosites by VSM technique which shows the superparamanetic behavior of magnetic nanocomposites and study of surface morphology and surface potential of these nanocomposite thin films is carried out using scanning Kelvin probe (SKP) microscopy.