2017 - Sustainable Industrial Processing Summit & Exhibition
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22-26 October 2017, Fiesta Americana Condesa Cancun All Inclusive Resort, Cancun, Mexico
Almost 400 Abstracts Submitted from 60 Countries
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List of Accepted Abstracts

As of 31/03/2020: (Alphabetical Order)
  1. Barrios Intl. Symp on Sustainable Non-ferrous Smelting and Hydro/Electrochemical Processing
  2. Dodds Intl Symp: on Sustainable Energy Production: Fossil; Renewables; Nuclear; Waste handling , processing, and storage for all energy production technologies; Energy conservation
  3. Gaune-Escard Intl Symp: on Sustainable Molten Salt and Ionic Liquid Processing
  4. Goodall Intl. Symp. on Sustainability of World Ecosystems in Anthropocene Era
  5. Lotter Intl Symp. on Sustainable Mineral Processing: Principles, Technologies and Industrial Practice
  6. Marquis Intl. Symp. on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development
  7. Intl. Symp. on Multiscale Material Mechanics and Multiphysics and Sustainable Applications
  8. Intl. Symp. on Advanced Sustainable Iron and Steel Making
  9. Intl. Symp. on Sustainable Metals & Alloys Processing
  10. Intl. Symp. on Sustainable Aluminum Extraction and Processing
  11. Intl. Symp. on Sustainable Secondary Battery Manufacturing and Recycling
  12. Intl. Symp. on Sustainable Mathematics Applications
  13. Intl. Symp. on Sustainable Surface and Interface Engineering: Coatings for Extreme Environments
  14. Intl. Symp. on Composite, Ceramic and Nano Materials Processing, Characterization and Applications
  15. Intl. Symp. on Environmental, Health, Policy, Legal, Management and Social Issues Related to Metals, Materials and Mineral Processing
  16. Intl. Symp. on Sustainable Mining Operations
  17. Intl. Symp. on Synthesis and Properties of Nanomaterials for Future Energy Demands
  18. Intl. Symp. on Rare Earth and Platinum Group Metals: Managing and Processing
  19. Intl. Symp. on Sustainable Materials Recycling Processes and Products
  20. Intl. Symp. Surfaces and Interfaces of Sustainable, Advanced Materials (SISAM)
  21. Summit Plenary
  22. MARQUIS INTL. SYMP. ON NEW AND ADVANCED MATERIALS AND TECHNOLOGIES FOR ENERGY, ENVIRONMENT AND SUSTAINABLE DEVELOPMENT

    To be Updated with new approved abstracts

    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;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 68
    Topic: 43

    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.


    Keywords: Energy efficiency; Sustainable development;

    A Theoretical Study of Copper Sulfide Nanoalloy Clusters: Density Functional Approach
    Tanmoy Chakraborty1;
    1MANIPAL UNIVERSITY JAIPUR, Jaipur, India;
    Type of Paper: Keynote
    Type of Presentation: Poster
    Id Paper: 290
    Topic: 43

    A search of alternative energy resources is one of the most popular topics of modern scientific research. Recently, transition metal chalcogenide clusters have gained considerable importance due to their potential applications in the field of energy conversion, storage, and optoelectronics etc. Among them, the compounds formed between Cu and S are extensively used in technological and strategic industries, including thermoelectric cooling materials, solar cells, clean-energy sectors, nonlinear optical materials, lithium ion batteries, gas sensors, nanoscale switches, photocatalysts, supercapacitors, petrochemicals, pharmaceuticals etc. Nano clusters of Copper sulfides (CuS) have paramount importance due to its significant adsorption property and non-toxic behavior. In this analysis, nanoalloy clusters of (CuS)n; (n=1-8) have been theoretically analyzed in terms of Conceptual Density Functional Theory (CDFT) based descriptors, aiming to explore its electronic and other properties. 3d modeling and structural optimization of all the compounds have been performed invoking Gaussian 03 within Density Functional Theory framework. Global DFT based descriptors have been computed for ground state configurations and low-lying isomers of (CuS)n clusters. Computed HOMO-LUMO gaps, lying in the range of 1.25 – 3.53 eV, indicate that (CuS)n clusters may be utilized as renewable energy sources specially in photocatalysis and solar cell applications. A statistical correlation has been established between electronic and photo-catalytic properties of copper-sulfide clusters with their computational counterparts. The close agreement between experimental and computed data establishes efficacy of our analytical approach.


    Keywords: Nanomaterials; New and advanced materials; New and advanced technology;

    A Two-Stage Fluidized Bed Hydrogen Reduction Process for the Production of High-Purity Ni Particles
    Young Ok Park1; Jae-rang Lee1; Naim Hasolli1; Seong-min Jeon1; Kang-san Lee1; Kwang-deuk Kim1;
    1KOREA INSTITUTE OF ENERGY RESEARCH, Deajeon, Korea (Republic of [South] Korea);
    Type of Paper: Regular
    Type of Presentation: Poster
    Id Paper: 113
    Topic: 43

    A novel two-stage reduction process for the production of nickel powder with high purity and low density in a fluidized bed reactor has been developed in this work. The raw NiO particles are first pre-reduced using hydrogen at lower temperatures (350-450°C) followed by further reduction at a higher temperature (500-600°C). The low-grade NiO powder has a bulk density of 4.1g/cm3 and a particle size below 10micrometer. The samples of the NiO powder investigated to estimate the gas consumption rate for given amount of the ore to be reduced and to observe the influence of the main reduction parameters on reduction rate and Ni contents. At a consumption rate of 2000Nm3/ton-ore, almost all samples reach the level of reduction above 95% and have a high Ni content (above 96%) for operation temperature of 550oC. For the temperature range between 450 and 650oC and the hydrogen consumption rate of 3500Nm3/ton-ore, the reduction rate reaches to the level of above 98% and have a high Ni content (above 98.5%).


    Keywords: Environment; Hydrogen production; New and advanced technology;

    Adsorption of SO2 on the TiO2 Rutile (110) Surface From First Principles
    Thorsten Kluener1; Thomas Teusch2;
    1UNIVERSITY OF OLDENBURG, Oldenburg, Germany (Deutschland); 2, , ;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 205
    Topic: 43

    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.


    Keywords: Energy; Hydrogen production;

    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;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 147
    Topic: 43

    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.


    Keywords: Energy efficiency; New and advanced technology; Renewable energy; Sustainable development;

    Advances in Hybrid Characterization of Nanoscaled Energy Materials and Printed Electronics
    Fernando Castro1;
    1NATIONAL PHYSICAL LABORATORY (NPL), Teddington, United Kingdom (Great Britain);
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 185
    Topic: 43

    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.


    Keywords: Nanotechnology; Organic Electronics; Organic Photovoltaics; Printed Electronics;

    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;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 82
    Topic: 43

    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.


    Keywords: Alternative energy sources; Energy; Energy efficiency; Environment; Nanocomposites; Nanomaterials; New and advanced materials; New and advanced technology; Sustainable development; storage and use;

    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;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 222
    Topic: 43

    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.


    Keywords: New and advanced materials;

    Applied R&D in The Field of Glass-Fiber Reinforced Thermosetting-Resin Pipes
    Roham Rafiee1;
    1UNIVERSITY OF TEHRAN, Tehran, Iran (Islamic Republic of Iran);
    Type of Paper: Keynote
    Type of Presentation: Poster
    Id Paper: 254
    Topic: 43

    Glass-Fiber Reinforced-Polyester (GFRP) pipes are increasingly used in different water, wastewater, petrochemical, oil and gas industries due to their anti-corrosive and improved mechanical properties. The main objective of this study is to provide an overall picture on conducted modeling and simulation characterizing mechanical behavior of GFRP pipes in Composites Research Laboratory (COMRESLAB) during the past six years. The majority of conducted investigations are limited to experimental studies, while modeling and simulation can play a key role in understanding the behavior of these pipes at early stages of design process and prior to lunching a mass production. The certification procedure of GFRP products regulated by international standards necessitates performing a series of cumbersome long-term qualification tests on full-scale GFRP pipes up to 10,000 h estimating residual properties at the end of design lifetime (50 years). Moreover, the required short-term experimental programs for obtaining nominal design requirements are very costly due to the destructive nature of defined tests.
    In this talk, all performed computational simulation for evaluating the performance GFRP pipes in COMRESLAB are presented in an integrated framework. The conducted studies consist of estimating functional failure pressure, investigating the influence of production inconsistencies on the failure pressure and analyzing long-term behavior from both creep and fatigue viewpoints. The performed investigations have been also validated using experimental data obtained on industrial scale. Thus, the capability of developed modeling in providing an insight into the is elaborated which can pave the road toward the industrial applications of these pipes.
    Finally, a gap analysis is carried out and new perspectives which are still required to be developed more deeply for their industrial applications or have not been addressed in literature are also nominated.


    Keywords: Characterization; Composites; Mechanical;

    BH3CN Anion-based Hypergolic Hydrophobic Ionic Liquids
    Vikas K Bhosale1;
    1DEFENCE INSTITUTE OF ADVANCED TECHNOLOGY, Pune, India;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 306
    Topic: 43

    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 mPas. Therefore, these ILs can be suggested as potential candidate to replace the conventional toxic hypergolic fuels.


    Keywords: Alternative energy sources; Environment; Sustainable development;

    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;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 169
    Topic: 43

    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.


    Keywords: Healthcare applications; Nanobiomaterials; Nanomedicine;

    Biodesulfurization of Coal - An Eco-Friendly Approach
    Muhammad Ghauri1; Nasrin Akhtar1; Kalsoom Akhtar1;
    1NIBGE, Faisalabad, Pakistan;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 208
    Topic: 43

    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.


    Keywords: Biomaterials; Energy; Energy efficiency; Environment; Sustainable development;

    Biohydrogen Production from Wastes is Advanced Technology for Energy Economy
    Armen Trchounian1;
    1YEREVAN STATE UNIVERSITY, Yerevan, Armenia;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 220
    Topic: 43

    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.


    Keywords: Alternative energy sources; Environment; Hydrogen production; New and advanced technology; Renewable energy; Sustainable development;

    Bioinspired Micromanipulation Design based on Gecko Self-cleaning
    Yiyang Wan1; Zhenhai Xia1;
    1UNIVERSITY OF NORTH TEXAS, Denton, United States;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 214
    Topic: 43

    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.


    Keywords: Biomaterials; Nanomaterials; New and advanced materials;

    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;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 227
    Topic: 43

    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.


    Keywords: Biomaterials; Nanocomposites; Nanomaterials; New and advanced materials;

    Can Small Molecules Realize Big Dreams in Solar Energy Conversion for Sustainable Environment?
    Chandrasekharam Malapaka1;
    1CSIR-INDIAN INSTITUTE OF CHEMICAL TECHNOLOGY, HYDERABAD, Hyderabad, India;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 243
    Topic: 43

    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.


    Keywords: Alternative energy sources;

    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, , ;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 286
    Topic: 43

    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.


    Keywords: Energy; Environment; Renewable energy; Sustainable development;

    Carbon Electronics for the 21st Century
    S. Ravi P. Silva1;
    1UNIVERSITY OF SURREY, Guildford, United Kingdom (Great Britain);
    Type of Paper: Plenary
    Type of Presentation: Oral
    Id Paper: 204
    Topic: 43

    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.


    Keywords: Graphene; Nanomaterials; Nanotechnology; Nanotubes; Organic Electronics; Organic Photovoltaics; Printed Electronics;

    Cavitation A Cleaner, Greener, Energy-efficient and Sustainable Processing Technique for Nanomaterials of Wider Technological Applications
    Sivakumar Manickam1;
    1UNIVERSITY OF NOTTINGHAM, KUALA LUMPUR, Malaysia;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 225
    Topic: 43

    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.


    Keywords: Alternative energy sources; Energy; Energy efficiency; Environment; Nanomaterials; New and advanced technology;

    Characterization of Inhomogeneous Microstructure of Ultrafine Grained Magnesium
    Qizhen Li1; Xing Jiao2;
    1WASHINGTON STATE UNIVERSITY, Pullman, United States; 2, , ;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 154
    Topic: 43

    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.


    Keywords: New and advanced materials; New and advanced technology;

    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;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 255
    Topic: 43

    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.


    Keywords: Energy; Energy efficiency; Environment;Homogeneous charge compression ignition, Methane, N-Butanol, NOx Emission, Two-stroke internal combustion engine

    Competitive Crystallization and Complex Phases in Amorphous Aluminum-rare-earth Alloys
    Ralph Napolitano1; Matthew Kramer2; Lin Zhou2;
    1MATERIALS SCIENCE AND ENGINEERING, IOWA STATE UNIVERSITY, Ames, United States; 2AMES LABORATORY, Ames, United States;
    Type of Paper: Regular
    Type of Presentation: Poster
    Id Paper: 308
    Topic: 43

    Amorphous alloys of Al-Sm exhibit competitive devitrification behavior upon reheating, involving competition between multiple metastable phases. These include large-unit-cell phases with cubic, hexagonal, and tetragonal symmetry, along with more conventional stable and metastable compounds of the AlxSm variety. Phase selection during crystallization is strongly path dependent, owing to effects of non-crystalline ordering and the role of diffusion and chemical partitioning in the morphological dynamics. In this work, devitrification kinetics are investigated and quantified using high energy X-ray diffraction, thermal analysis, and electron microscopy, including state of the art in situ TEM/STEM. Measurements are related to system thermodynamics in the highly driven regime highlighting principles of selection. Implications with respect to other Al-RE (rare-earth) systems are also discussed. This work was supported by the U.S. Department of Energy, Office of Basic Energy Science, Division of Materials Sciences and Engineering. The research was performed at the Ames Laboratory, operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358.


    Keywords: Alloys; Metal; Rare-Earth;

    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;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 374
    Topic: 43

    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.


    Keywords: Energy; Energy efficiency; Environment; Nanocomposites; Nanomaterials; New and advanced materials; New and advanced technology; Renewable energy;

    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;
    Type of Paper: Invited
    Type of Presentation: Oral
    Id Paper: 250
    Topic: 43

    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 ½<110>{001} edge and ½<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).


    Keywords: New and advanced materials; Nuclear energy;

    Development of New Superionic Conductor Narpsio Glass-Ceramics
    Toshinori Okura1;
    1KOGAKUIN UNIVERSITY, Hachioji, Japan;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 245
    Topic: 43

    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.


    Keywords: New and advanced materials;

    Development of Precipitation Hardened Austenitic High Mn Steels for Automotive Applications
    Yunik Kwon1; Nack Kim1;
    1POSTECH, Pohang, Korea (Republic of [South] Korea);
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 109
    Topic: 43

    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.


    Keywords: New and advanced materials;

    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;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 127
    Topic: 43

    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.


    Keywords: Nuclear energy;

    Direct Laser Cladding an Emerging Technique for Development of Component
    Jyotsna Dutta Majumdar1;
    1INDIAN INSTITUTE OF TECHNOLOGY KHARAGPUR, Kharagpur, India;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 282
    Topic: 43

    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.


    Keywords: New and advanced technology; Sustainable development;

    Domain Walls as Nanoscale Functional Elements
    Jan Seidel1;
    1UNSW SYDNEY, Sydney, Australia;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 170
    Topic: 43

    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.


    Keywords: Nanomaterials; New and advanced materials; New and advanced technology;

    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;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 66
    Topic: 43

    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.


    Keywords: New and advanced materials; New and advanced technology;

    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);
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 111
    Topic: 43

    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.


    Keywords: New and advanced materials;

    Effect of Crystal Structure in Manganese Dioxide for Water Purification
    Hideki Koyanaka1;
    1FORWARD SCIENCE LABORATORY LTD., Oita, Japan;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 291
    Topic: 43

    Manganese dioxide (MnO2) crystallizes into various phases including α-type (hollandite; tetragonal), β-type (pyrolusite; rutile), λ-type (spinel; cubic), ε-type (hexagonal), r-type (ramsdellite; orthorhombic), and γ-type (nsutite; r-type containing β, and ε-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.


    Keywords: Environment; Water purification; New and advanced technology;

    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);
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 110
    Topic: 43

    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.


    Keywords: New and advanced materials;

    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);
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 112
    Topic: 43

    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.


    Keywords: New and advanced materials;

    Electron/Hole Transformation between Two Atomic Layers
    Junrong Zheng1;
    1PEKING UNIVERSITY, Beijing, China;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 195
    Topic: 43

    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.


    Keywords: Energy;

    Electronic structure and energy spectra of relativistic quantum dots
    Ephraim Eliav1;
    1SCHOOL OF CHEMISTRY, TEL AVIV UNIVERSITY, Tel Aviv, Israel;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 276
    Topic: 43

    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 1Recently 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.


    Keywords: Energy; Nanocomposites; Nanomaterials; New and advanced materials;

    Energy Efficient Nano-devices for the Better and Sustainable Society
    Mahesh Kumar1;
    1INDIAN INSTITUTE OF TECHNOLOGY JODHPUR, Jodhpur, India;
    Type of Paper: Invited
    Type of Presentation: Oral
    Id Paper: 247
    Topic: 43

    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.


    Keywords: Energy efficiency;

    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;
    Type of Paper: Invited
    Type of Presentation: Oral
    Id Paper: 211
    Topic: 43

    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.


    Keywords: New and advanced materials; New and advanced technology;

    Fabrication of Low-cost Spargers and Bubble Column Characterization for Aqueous and Non-aqueous Solutions
    Behnam Mostajeran Goortani1; Elham Khoshandam2;
    1UNIVERSITY OF ISFAHAN, Isfahan, Iran (Islamic Republic of Iran); 2MASTER STUDENT, Isfahan, Iran (Islamic Republic of Iran);
    Type of Paper: Regular
    Type of Presentation: Poster
    Id Paper: 237
    Topic: 43

    Spargers are porous devices used for the continuous injection of gas bubbles into liquids. They have many applications like effective aeration in bio reactors, enhanced oil recovery, flotation, filtration and water treatment. In this study low cost spargers are fabricated, utilizing a new method. Nano- and microstructured glass bead spargers were fabricated in a temperature-controlled convection furnace. Scanning electron microscopy, X-ray diffraction, and porosimetry were used to further characterize the fabricated spargers. The bubble sizes and distributions were determined in an experimental setup comprising a bubble column equipped with a semi-professional camera to record the sizes of the bubbles in the column and resulting bubbles were photographed at different gas flow rates. In comparison to existing commercial spargers, the spargers fabricated in this study produce bubbles smaller than 100 m in size. As substrate, first disc shaped and conical shaped glass spargers are fabricated. They are then covered by a layer of copper through two methods: manual method and plasma focus deposition method. The effect of reaction temperature and fluid properties were investigated on the size and the distribution of the produced bubbles: the best sintering temperature for copper oxide conical samples was 600 and 610 oC.


    Keywords: New and advanced materials;

    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;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 58
    Topic: 43

    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.


    Keywords: Alternative energy sources; Energy; Renewable energy; Sustainable development;

    FTIR Spectroscopy for Characterization of Surface Properties of Disperse Materials
    Alexey Tsyganenko1;
    1ST.PETERSBURG STATE UNIVERSITY, St. Petersburg, Russian Federation;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 252
    Topic: 43

    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.


    Keywords: Environment; Nanomaterials;

    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;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 379
    Topic: 43

    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.


    Keywords: Nanomaterials;

    Hazard of Uranium, Plutonium, and Curium Transfer in the Form of Volatile Oxides and Hydroxides in the Atmosphere
    Vladimir Domanov1;
    1, Dubna, Russian Federation;
    Type of Paper: Invited
    Type of Presentation: Oral
    Id Paper: 297
    Topic: 43

    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.


    Keywords: Environment;

    High Specific Strength Alloys for Sustainable Society
    Nack Kim1;
    1POSTECH, Pohang, Korea (Republic of [South] Korea);
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 107
    Topic: 43

    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.


    Keywords: New and advanced materials;

    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;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 174
    Topic: 43

    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.


    Keywords: Nanomaterials; New and advanced materials;

    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;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 160
    Topic: 43

    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.


    Keywords: Energy; Nanomaterials; New and advanced materials; New and advanced technology;

    Hybrid Bio-Composite Glass-Chitosan Used for Applications in Biomedical Field
    Hassane Oudadesse1; S MOSBAHI1; S JEBAHI2; H. Elfeki2; A. Elfeki2; H. Keskes2;
    1UNIVERSITY OF RENNES 1, Rennes, France; 2UNIVERSITY OF SFAX, Sfax, Tunisia;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 191
    Topic: 43

    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.


    Keywords: Biomaterials; New and advanced technology;

    Hydrothermal Liquefaction of Biomass as Sustainable Pathways to Fuels and Chemicals
    Lasse Rosendahl1; Thomas Pedersen1; Saqib Toor1;
    1AALBORG UNIVERSITY, Aalborg East, Denmark;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 336
    Topic: 43

    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 its 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.


    Keywords: Alternative energy sources; Biomaterials; Energy; Environment; Renewable energy; Soil and waste remediation; Sustainable development;

    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;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 244
    Topic: 43

    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.


    Keywords: New and advanced materials; New and advanced technology;

    II-VI Semiconductor Thin Films CdZnTe Ternary Compound for Energy Applications
    Nazar Abbas Shah1;
    1COMSATS INSTITUTE OF INFORMATION TECHNOLOGY (CIIT), Islamabad, Pakistan;
    Type of Paper: Invited
    Type of Presentation: Oral
    Id Paper: 217
    Topic: 43

    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 1.451.75 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.


    Keywords: Energy;CdZnTe thin films, closed space sublimation, conductivity, current, resistance, resistivity, optical properties

    Implantable Medical Devices: Technologies, Trends and Future Scope
    Vipan Kakkar1;
    1SHRI MATA VAISHNO DEVI UNIVERSITY, Katra. Reasi, India;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 259
    Topic: 43

    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 IMDs 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 IMDs, 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.


    Keywords: Alternative energy sources; Biomaterials; Energy; Energy efficiency; Nanomaterials; New and advanced technology;

    Improving sustainability of adipic acid production
    Luisa Martins1;
    1UNIVERSITY OF LISBON, Lisboa, Portugal;
    Type of Paper: Keynote
    Type of Presentation: Poster
    Id Paper: 267
    Topic: 43

    Adipic acid, nylon precursor, is a relevant commodity produced worldwide: over 3.5 millions of metric tons/year, growing ca. 5%/year.
    Currently, the industrial production of adipic acid uses a two-step process: a) oxidation of cyclohexane to KA oil (cyclohexanol and cyclohexanone mixture), followed by the b) oxidation of KA oil with an excess of concentrated nitric acid. Among other disadvantages, the nitrous oxide emission from this process (300 kg of N2O per ton of adipic acid, measurably contributes to global warming and ozone depletion. Therefore, the development of a more efficient adipic acid production process that is less damaging to the environment is an important subject in chemical research.
    This lecture will address the recent achievements towards the development of a sustainable chemical process for adipic acid production. In particular, the direct (single-pot) cyclohexane oxidation to adipic acid in a solvent-, heating-, radiation- and N2O-free new catalytic protocol, which could provide an ideal solution to this serious problem, is presented and discussed.


    Keywords: Energy efficiency; Environment; New and advanced materials; New and advanced technology; Sustainable development;Adipic acid, Ozone, Cyclohexane, oxidation, Nylon

    Interfaces in Nanomaterials
    Katerina Aifantis1;
    1UNIV OF FLORIDA, Gainesville, United States;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 372
    Topic: 43

    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.


    Keywords: Nanocomposites; Nanomaterials; New and advanced materials; Renewable energy;

    Investigation of Ultrasonic Solvent Extracts for the Separation of Neutral Lipids from Microalgae Biomass for Biodiesel Potential
    Amrajit Singh Sarpal1;
    1INMETRO, XEREM, Brazil;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 223
    Topic: 43

    Microalgae are unicellular photosynthetic organisms that require three components: water, CO2, and sunlight, to generate biomass with relatively higher photosynthetic efficiency of 38% 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.


    Keywords: Alternative energy sources;

    Isolation and Functionalization of Nanocellulose from Lignocellulosic Fibres for Environmental Remediation and Sensor Applications
    Chin Hua Chia1;
    1UNIVERSITI KEBANGSAAN MALAYSIA, BANGI, Malaysia;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 151
    Topic: 43

    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 CNFAgNPs 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.


    Keywords: Nanocomposites; Nanomaterials;

    Laser Assisted Surface Engineering for Enhanced Wear, Corrosion and Oxidation Resistance in Metallic Alloys
    Indranil Manna1;
    1INDIAN INSTITUTE OF TECHNOLOGY KANPUR, Kanpur, India;
    Type of Paper: Invited
    Type of Presentation: Oral
    Id Paper: 283
    Topic: 43

    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.


    Keywords: New and advanced technology;

    Laser Processing of Thin Film Materials: A Versatile Tool for Controlling Materials' Characteristics.
    Demosthenes Koutsogeorgis1;
    1NOTTINGHAM TRENT UNIVERSITY, Nottingham, United Kingdom (Great Britain);
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 356
    Topic: 43

    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.


    Keywords: Nanomaterials; New and advanced materials; New and advanced technology;

    Layer-by-Layer Assembled Nanocomposite Films for Energy Systems
    Maria A. G. Soler1;
    1UNIVERSIDADE DE BRASILIA, Brasilia, Brazil;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 77
    Topic: 43

    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.


    Keywords: Nanocomposites; Nanomaterials; New and advanced materials; New and advanced technology;

    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;
    Type of Paper: Invited
    Type of Presentation: Oral
    Id Paper: 322
    Topic: 43

    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·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·m0.5. Addition of 17% C to the -AlB12 powder changed the phase composition of the material sintered at 30 MPa, 1950 °C to 86% AlB12C2 with  = 2.67 g/cm3 and lead to the increase of K1c (49 N) to 5.9 MPa·m0,5 and Rcs to 423 MPa. The material sintered from -AlB12 powder at 30 MPa and 1950 °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·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·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.


    Keywords: New and advanced materials;

    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, , ;
    Type of Paper: Invited
    Type of Presentation: Oral
    Id Paper: 323
    Topic: 43

    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.


    Keywords: New and advanced materials;

    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;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 168
    Topic: 43

    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.


    Keywords: Environment; Nanocomposites; New and advanced technology;

    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;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 64
    Topic: 43

    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.


    Keywords: New and advanced materials; Oxide; Plasma; MOS structure; Dielectric constant; Memristor

    lUse of Green Biosurfactants and Nanomaterials for Mining Residue and Effluent Remediation
    Catherine Mulligan1;
    1CONCORDIA UNIVERSITY, Montreal, Canada;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 150
    Topic: 43

    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.


    Keywords: Biomaterials; Environment; Nanomaterials; Soil and waste remediation; Sustainable development; Water purification;

    Magnesium (Mn3O4) NanoparticlesChitosan Nanocomposite Based Urea Biosensor
    Akbar Ali1;
    1PAKISTAN INSTITUTE OF NUCLEAR SCIENCE AND TECHNOLOGY, Nilore, Pakistan;
    Type of Paper: Invited
    Type of Presentation: Poster
    Id Paper: 249
    Topic: 43

    In this study, a potentiometric urea biosensor through the immobilization of urease enzyme onto CS / Magnesium (Mn3O4) nanocomposite has been fabricated on glass filter paper. A copper wire (diameter = 200 m) is attached with nanoparticles to extract the voltage output signal. The shape and dimensions of Magnesium (Mn3O4) nanoparticles are investigated by scanning electron microscopy and the average diameter is approximately 70-90 nm. Structural quality of Magnesium (Mn3O4) nanoparticles is confirmed from x-ray powder diffraction measurements A physical adsorption method is adopted to immobilize the surface of CS/ Magnesium (Mn3O4) nano composite. The potentiometric sensitivity curve has been measured over the concentration range (1x 10-4 to 8 x 10-2 M) of urea electrolyte solution revealing that the fabricated biosensor holds good sensing ability with a linear slope curve of ~45mV/decade. In addition, the presented biosensor shows good reusability, selectivity, reproducibility and resistance against interferers along with the stable output response of ~8 seconds.


    Keywords: Nanocomposites;

    Manganese Oxide Nanomaterials for the Oxygen Reduction Reaction in Alkaline Electrolyte
    Timothy Lambert1;
    1SANDIA NATIONAL LABORATORIES, Albuquerque, United States;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 351
    Topic: 43

    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.


    Keywords: Energy; Nanocomposites; Nanomaterials; New and advanced materials; Renewable energy;

    Meso-Scale Time-resolved Sensing of Shock-Compression Effects in Heterogeneous Materials
    Naresh Thadhani1;
    1GEORGIA INSTITUTE OF TECHNOLOGY, Atlanta, United States;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 32
    Topic: 43

    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.


    Keywords: New and advanced materials;

    Mesoporous Silica Impregnated with Acetate-based Ionic Liquids for CO2 Capture
    Amr Henni1; Hussameldin Ibrahim1; Mohanned Mohamedali1;
    1UNIVERSITY OF REGINA, Regina, Canada;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 287
    Topic: 43

    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.


    Keywords: Energy; Environment; New and advanced materials; Sustainable development;

    Metal Clusters on Semiconductor Surfaces for Catalysis Applications
    Gunther Andersson1;
    1FLINDERS UNIVERSITY, Adelaide, Australia;
    Type of Paper: Keynote
    Type of Presentation: Poster
    Id Paper: 311
    Topic: 43

    Metal clusters have unique properties that change with the type and number of atoms that form the cluster. Metal clusters typically consist of less than about 100 atoms, are atomically precise and thus have specific size and shape. As a consequence of this, clusters also have discrete, individual electron energy levels, which i) differ from the levels in the constituting individual atoms and ii) depend on the number of atoms in the cluster. Due to their unique, size-dependent electronic properties, some metal clusters have been termed "superatoms" and can be considered as the 3rd dimension of the Periodic Table. Conceptually, the ability to control the size and energy levels of a metal cluster is ideal for modifying semiconductor surfaces, however, to date this is a rather challenging subject. Depositing metal clusters onto semiconductor surfaces allows the modification of the electronic properties and chemical composition of the semiconductor surface precisely and independently from the properties of the bulk material. In the present work we are using mainly ligand-protected, chemically made metal clusters. Cluster modified surfaces have potential in catalysis applications which could lead to harvesting solar energy and converting into fuels.
    For analysing all stages of the process of depositing clusters onto semiconductor surfaces electron spectroscopy techniques (X-ray photoelectron spectroscopy (XPS)), scanning techniques (atomic force microscopy (AFM)) and microscopy (scanning) transmission electron microscopy (STEM and TEM) have been employed. Subsequent to deposition also the electronic and conformational structure have been analysed because these are the two properties which are believed to play the crucial role in catalysis. Metastable induced electron spectroscopy (MIES) has been used for determining the electronic structure of deposited clusters. Results of photocatalytic reactions will be shown.


    Keywords: Nanomaterials; New and advanced materials; Renewable energy; storage and use;

    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);
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 335
    Topic: 43

    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.


    Keywords: Energy efficiency; New and advanced technology; Soil and waste remediation;

    Modeling and simulation for the mechanical properties of carbon nanotubes under various external forces
    Keka Talukdar1;
    1NIT DURGAPUR, Durgapur, India;
    Type of Paper: Invited
    Type of Presentation: Oral
    Id Paper: 278
    Topic: 43

    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.


    Keywords: Bundles; Elastic; Failure; Materials; Modeling; Nanotechnologies; Sustainability;

    Multicharged Ion Sources for Implantation and Deposition
    Hani Elsayed Ali1;
    1OLD DOMINION UNIVERSITY, Norfolk, United States;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 106
    Topic: 43

    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.


    Keywords: Energy; Environment;

    Multifunctional Chromogenic Sensors Enabled by Novel Multi-Stimuli-Responsive Shape Memory Polymers
    Peng Jiang1;
    1UNIVERSITY OF FLORIDA, Gainesville, United States;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 199
    Topic: 43

    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  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 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.


    Keywords: Environment; Nanocomposites; Nanomaterials; New and advanced materials; Sustainable development; Water purification;

    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;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 34
    Topic: 43

    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.


    Keywords: Alternative energy sources; Energy; New and advanced materials; Renewable energy;

    Nanomedicine Targeting Atherosclerosis
    Varvara Karagkiozaki1;
    1ARISTOTLE UNIVERSITY OF THESSALONIKI, GREECE, Thessaloniki, Greece;
    Type of Paper: Plenary
    Type of Presentation: Oral
    Id Paper: 171
    Topic: 43

    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.


    Keywords: Nanomedicine;

    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;
    Type of Paper: Invited
    Type of Presentation: Oral
    Id Paper: 324
    Topic: 43

    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.


    Keywords: New and advanced materials;

    Next Generation Organic Blend Semiconductors for Transistor and Flexible Microelectronic Applications
    Thomas Anthopoulos1;
    1KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (KAUST), Thuwal, Saudi Arabia (Kingdom of Saudi Arabia);
    Type of Paper: Keynote
    Type of Presentation: Poster
    Id Paper: 89
    Topic: 43

    The increasing demand for thin-film transistors (TFTs) technologies with improved carrier mobility and operating stability has been the driving force behind the tremendous progressed witnessed in recent years in the field of organic TFTs (OTFTs). A common approach towards this goal has been the development of new compounds with improved charge transporting and processing characteristics. In this presentation, I will discuss an alternative strategy to materials, and ultimately OTFT and integrated circuits, development based on the use of molecular additives in combination with advanced semiconducting blends composed of a small-molecule and a polymer binder material. I will describe how the incorporation of different types of additives can lead to semiconducting systems, and ultimately OTFTs, that combine highly attractive features such processing versatility, high carrier mobility and enhanced bias stability. The role of the molecular additives and the underlying mechanism responsible for the performance enhancement observed in several different blend systems will also be discussed.


    Keywords: Organic Electronics; Organic Semiconductors; Organic Transistor; Printed Electronics;

    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;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 292
    Topic: 43

    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.


    Keywords: Alternative energy sources; Energy; Nanomaterials; Renewable energy;

    Novel two-dimensional graphene-like systems based on silicon allotropes
    Yasmine Sassa1;
    1UPPSALA UNIVERSITY, Uppsala, Sweden;
    Type of Paper: Invited
    Type of Presentation: Oral
    Id Paper: 284
    Topic: 43

    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, silicenes heavier cousins, germanene and stanene, whose strong spin orbit coupling lets anticipate the Quantum Spin Hall effect at room temperature and above.


    Keywords: New and advanced materials;

    On the Mechanical Behavior of CGO-LSCF Coral Type Composite Coatings for Solid Oxide Fuel Cells
    Amelia Almeida1; Jaroslaw Sar2; Elisabeth Djurado3; Rudy Ghisleny4;
    1INSTITUTO SUPERIOR TECNICO, Lisboa, Portugal; 2INSTITUTO SUPERIOR TECNICO (UNIVERSIDADE DE LISBOA) AND GRENOBLE INP (LEPMI), Lisboa, Portugal; 3GRENOBLE INP - LEPMI, St. Martin d'Heres, France; 4EMPA-SWISS FEDERAL LABORATORIES FOR MATERIALS TESTING AND RESEARCH, Thun, Switzerland (Confederation of Helvetia);
    Type of Paper: Regular
    Type of Presentation: Poster
    Id Paper: 140
    Topic: 43

    The electrochemical performance of electrodes for solid oxide fuel cells (SOFC) requires porous structures with a large number of active triple phase boundaries. Further improvements require the development of new oxygen electrodes with highly porous structures able to enhance the adsorption process and provide high active zones for oxygen reduction. However, a high level of porosity leads to low mechanical properties that may compromise the electrodes integrity and cell performance that must be studied.
    This work investigates the mechanical properties and behavior of CGO-LSCF composite coatings developed by electrostatic spray deposition as oxygen electrodes for intermediate temperature SOFC.
    The coatings are characterized by a highly porous coral-like structure formed of aggregate nanoparticles that result in a very high surface area. Their mechanical behavior was studied by nanoscratch and nanoindentation tests and a model of material degradation under progressive compressive loading has been proposed. The coatings damage mechanism involves three regimes: at very low loads stresses are concentrated at the tips of individual corals that may fracture (regime I); as load increases, generalized fracture of the corals occurs and the material starts compacting into an increasingly dense layer (regime II); at the highest loads, the material behaves like an almost fully dense solid (regime III). As loading increases porosity decreases from 60 to about 5 vol% in the compacted material. The transitions between regimes are associated to increases in the contact stress and the same damage mechanisms are found during scratching and indentation. Hardness increases from about 2 to 100 MPa, while the Young's modulus varies in the range 118 GPa, as porosity decreases. Calculations of the real contact pressure allowed estimating a yield stress of 83 MPa that can be considered as a low limit for the materials fracture strength.


    Keywords: Energy; New and advanced materials; New and advanced technology;

    On The Prediction of Mechanical Properties of Carbon Nanotube Reinforced Polymer
    Roham Rafiee1;
    1UNIVERSITY OF TEHRAN, Tehran, Iran (Islamic Republic of Iran);
    Type of Paper: Keynote
    Type of Presentation: Poster
    Id Paper: 253
    Topic: 43

    Predicting mechanical properties of CNT-based nanocomposites as the main concern of this talk plays an important role in their development process and can pave the road toward their industrial application. Micromechanics rules cannot be directly applied to CNT reinforced polymer due to the invalid basic assumption. Thus, a full range multi-scale modeling technique is developed to estimate Youngs modulus and Poissons ratio of CNT reinforced polymer to overcome this shortcoming. Covering all involved scales of Nano, Micro, Meso and Macro, the developed modeling consists of two different phases as top-down scanning and bottom-up modeling. At the first stage, the material region will be scanned from the macro level downward to the nano scale. Effective parameters associated with each and every scale will be identified through this scanning procedure. Taking into account identified effective parameters of each specific scale, suitable representative volume elements (RVE) will be defined for each and every scale, separately. In the second stage of the modeling procedure, a hierarchical multi-scale modeling approach is developed. This modeling strategy will analyze the material at each scale and obtained results are fed to the upper scale as input information. Due to induced uncertainties during the processing of CNT reinforced polymer, the developed modeling technique is implemented stochastically to capture involved random parameters. The novelty of the current research is twofold: developing a full-range multi-scale technique to consider effective parameters of all scales and full stochastic implementation of integrated modeling procedures. It has been revealed that the developed modeling procedure provides a clear insight to the properties of CNT reinforced polymer and it is a very efficient tool for predicting mechanical behavior of CNT-based nanocomposites.


    Keywords: Nanocomposites; Nanotubes; Polymer;

    Physically Fabricated Semiconductor Nanocrystals for Light Harvesting
    Guolong Tan1; Qishu Xu1; Limin Liu1;
    1INSTITUTE OF NEW MATERIALS, WUHAN UNIVERSITY OF TECHNOLOGY, Wuhan, China;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 246
    Topic: 43

    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.


    Keywords: Nanomaterials;

    Plasmon Hybridization for Multiplex Nanosensing of Environmental Pollutants
    Rina Singh1;
    1CSIR-CENTRAL ROAD RESEARCH INSTITUTE, NEW DELHI, India;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 241
    Topic: 43

    Sensor technologies have become crucial in improving health and environment by continuous monitoring of toxic chemicals, hazardous pollutants like benzene or ions that are threats to environmental safety. Air and water pollution is a major global issues leading to mortality of millions of people all around the world. Due to industrialization, various toxic environmental pollutants, including pesticides and heavy metal ions, are released into our environment, causing serious health problems to human society via exposure from breathing air. Therefore, to prevent contaminants from causing environmental catastrophes it would be ideal to detect such contamination events as quickly as possible in order to rapidly initiate remedial strategies. The potential for environmental pollution outbreaks requires the development of rapid and simple detection methods for water/Air quality monitoring. Plasmonic nanosensors based on the localized surface plasmon resonance (LSPR) of metallic nanoparticles, have emerged as a powerful detection tool for the in-situ environmental sensing of various organic and inorganic pollutants. Unlike propagating SPR which exhibits a long sensing distance (in microns), the effective sensing zone of LSPR nanosensors is highly localized (within 10 nm) because the LSPR decays exponentially with the distance from the nanoparticle surface. Hence, the spectral resolution of LSPR is sensitive only to regions within the nanoscale environment surrounding metallic nanoparticles. This highly localized sensing volume is well suited for the real-time monitoring of various pollutants. Metallodielectric layered nanoparticles where nanoscale dielectric layers separate concentric metallic layers form a unique and important class of plasmonic nanosensors because of their ability to manipulate and concentrate light. A cavity or dielectric layer acting as a resonator between the two metals amplifies an electromagnetic wave. Their optical properties arise from the surface plasmons supported at their metal-dielectric interfaces. The plasmon response of these nanostructures can be understood as the interaction or hybridization of plasmons supported by metallic nanostructures of more elementary shapes. Plasmon hybridization is a useful tool for interpreting the plasmon modes of complex metallic nanostructures. The plasmon hybridization in this type of structure can result in multiple SPR bands corresponding to bonding (two modes) and antibonding (one or two modes), respectively, depending upon metal and dielectric position. The bonding modes have larger dipole moments and therefore any core-shell structure can have these two modes. However, the antibonding mode that results from symmetric coupling between the antibonding shell plasmon mode and the inner sphere plasmon is usually too weak to be observed because of its smaller dipole moment. So, if the antibonding plasmon mode could be enhanced, there will be three intense and separate SPR bands for multiplex sensing and detecting. In particular, by employing localized surface plasmon resonance (LSPR) of these types of nanostructures, we can expect distinguished sensing performance with high sensitivity and resolution. This presentation will discuss about the multiplex optical sensing modalities that are dependent on the effects of the LSPR. Further, I will also discuss about the use of LSPR supporting particles as analogues to surface enhanced Raman scattering (SERS) probes and labels for multiplex detection.


    Keywords: Nanomaterials;

    Potential of smart coating for advanced energy systems
    Takumi Chikada1;
    1SHIZUOKA UNIVERSITY, Shizuoka, Japan;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 228
    Topic: 43

    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.


    Keywords: Energy; Hydrogen production; New and advanced materials; Nuclear energy;

    Predicting Glass-forming Ability in Bulk Metallic Alloys
    Valeriy Sidorov1;
    1URAL STATE PEDAGOGICAL UNIVERSITY, Ekaterinburg, Russian Federation;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 219
    Topic: 43

    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.


    Keywords: Nanocomposites; Nanomaterials; New and advanced materials;

    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;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 83
    Topic: 43

    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.


    Keywords: Environment; New and advanced technology;

    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;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 115
    Topic: 43

    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.


    Keywords: Environment; New and advanced technology; Soil and waste remediation; Sustainable development;

    Processing of Hierarchically Porous Adsorbents for Decarbonization
    Farid Akhtar1;
    1LULE� UNIVERSITY OF TECHNOLOGY, Lule�, Sweden;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 248
    Topic: 43

    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.


    Keywords: Energy; Environment; New and advanced materials;

    Production and Characterization of TiO2 Coatings for Hemocompatible and Photocatalytic Applications
    Carlos Enrique Schvezov1;
    1INSTITUTE OF MATERIALS OF MISIONES (IMAM) CONICET � UNAM, Misiones, Argentina;
    Type of Paper: Plenary
    Type of Presentation: Oral
    Id Paper: 233
    Topic: 43

    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.


    Keywords: Energy;

    Products of Activation of Hydrolytic Lignin: Prospects of Application
    Yury Nikolenko1; Denis P. Opra2; Aleksander K. Tsvetnikov2; Aleksander A. Sokolov2; Aleksander Yu. Ustinov2; Albert M. Ziatdinov2; Sergey L. Sinebryukhov2; Valery G. Kuryavyi2; Sergey V. Gnedenkov2;
    1INSTITUTE OF CHEMISTRY FEB RAS, Vladivostok, Russian Federation; 2, , ;
    Type of Paper: Regular
    Type of Presentation: Poster
    Id Paper: 264
    Topic: 43

    The hydrolytic lignin (HL) and its activated forms (AHL) were tested as active components of lithium power sources. The results of galvanostatic discharge of lithium electrochemical systems made on the basis of HL and AHL demonstrate the practical significance of thermal treatment of lignin. In particular, in the voltage range 0.5 – 3 V, the specific capacity increases from 190 mA·h/g (HL) to 265 mA·h/g (AHL annealed up to 350 С), 465 mA·h/g (AHL annealed up to 600 С), and 845 mA·h/g (AHL annealed up to 1000 С). One of the reasons for this could the increase of the electrical conductivity of the material. Also, fluorinated AHL samples were tested. The fluorinated AHL-1000 with semi-ionic carbon-fluorine bonds shows higher voltage (≈ 2.4 V) at the initial stage of discharge.


    Keywords: Nanomaterials; New and advanced materials;hydrolytic lignin, activated hydrolytic lignin, lithium battery, organic electrode material, fluorinated lignin

    Progress in Green Energies, Sustainable Development, and the Environment
    Abdeen Omer1;
    1ENERGY RESEARCH INSTITUTE, Nottingham, United Kingdom (Great Britain);
    Type of Paper: Invited
    Type of Presentation: Oral
    Id Paper: 242
    Topic: 43

    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.


    Keywords: Energy; Environment; Renewable energy; Sustainable development;

    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;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 258
    Topic: 43

    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.


    Keywords: New and advanced materials; New and advanced technology;

    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;
    Type of Paper: Invited
    Type of Presentation: Oral
    Id Paper: 138
    Topic: 43

    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.


    Keywords: New and advanced materials;

    Recent progress on the theory of precipitation hardening in nuclear materials research
    Yoshitaka Matsukawa1;
    1TOHOKU UNIVERSITY, Sendai, Japan;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 262
    Topic: 43

    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.


    Keywords: Nanomaterials; New and advanced materials; Nuclear energy;

    Research and Development of Continuous Casting Process of Ni-based Corrosion Resistant Alloy with Compound Electromagnetic Fields
    Engang Wang1;
    1NORTHEASTERN UNIVERSITY, Shenyang, China;
    Type of Paper: Invited
    Type of Presentation: Oral
    Id Paper: 293
    Topic: 43

    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.


    Keywords: Caster; Metallurgy; Process; Steel;

    Semiconducting Polymers and Hybrids for OPVs and PLEDs: Scalability and Optoelectronic Properties Modulation
    Joannis Kallitsis1;
    1UNIVERSITY OF PATRAS & FORTH/ICE-HT, Rio, Greece;
    Type of Paper: Keynote
    Type of Presentation: Poster
    Id Paper: 146
    Topic: 43

    Organic photovoltaic cells (OPVs) and polymeric light emitting diodes (PLEDs) are technologies where polymeric semiconductors are used providing a thin film, called the "active layer", which is responsible for the operation of the device.
    In the case of OPVs, polymer semiconducting electron donors are combined with electron acceptors, typically fullerenes or other carbon based nanostructures, forming a bicontinuous interpenetrating network. The efficiency of these so called Bulk Heterojunction (BHJ) OPVs is greatly dependant on the exact materials combinations as well as the morphology of the active layer. Our efforts were devoted on the scale up synthesis of the different efficient polymeric electron donors as well as their application on printable OPV devices thereof. Also control and stabilization of the active layer�s blend morphology was attempted through the incorporation of a third component acting as compatiblizer and/or stabilizer. Thus, employment of hybrid polymer-fullerene [1,2] additives, comprising the electron donating polymer and the fullerenic electron acceptor part was used in order to enhance the stability of the active blend.
    In the case of PLEDs, both semiconducting polymers and polymeric metallocomplexes [3] are used in order to obtain the desired colored emission. Working in this direction, polymeric materials with controlled light emission have been synthesized and used for PLEDS device construction and testing [4]. Moreover, we also combined different chromophore bearing light emitting polymers and copolymers with Iridium (Ir) based polymeric metallocomplexes in different ratios in order to effectively control the final light emission. Depending on the well-defined copolymers� composition and even using polymer blends, the optoelectronic properties of the final active materials were modulated leading to the fine tuning of the light emission properties of the final materials and devices.
    ACKNOWLEDGEMENTS:
    This research has been co-financed by the project SMARTONICS � 310229 - FP7-NMP-2012.1.4-1 (2013-2017) �Development of Smart Machines, Tools and Processes for the Precision Synthesis of Nanomaterials with Tailored Properties for Organic Electronics� and by the project "Green/k Sustainable Lighting - GR-Light" 11SYN-5-573, GSRT-Greece.
    References
    [1] S. Kakogianni, S. N. Kourkouli, A. K. Andreopoulou, J. K. Kallitsis, J. Mater. Chem A, 2, 8110-8117 (2014)
    [2] S. Kakogianni, M. A. Lebedeva, G. Paloumbis, A. K. Andreopoulou, K. Porfyrakis, J. K. Kallitsis, RSC Adv, 6, 98306 � 98316 (2016)
    [3] E. K. Pefkianakis, N. P. Tzanetos, J. K. Kallitsis, Chem. Mater., 20, 6254�6262 (2008)
    [4] M. Gioti, D. Kokkinos, C. I. Chaidou, A. Laskarakis, A. K. Andreopoulou, J. K. Kallitsis, S. Logothetidis, Phys. Status Solidi A, 213, 2947-2953 (2016).


    Keywords: Fullerenes; Organic Electronics; Organic Light Emitting Diodes; Organic Photovoltaics; Organic Semiconductors;

    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;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 176
    Topic: 43

    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.


    Keywords: New and advanced materials; New and advanced technology;

    Shock-wave induced synthesis of graphene sheets
    Pengwan Chen1;
    1BEIJING INSTITUTE OF TECHNOLOGY, Beijing, China;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 327
    Topic: 43

    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.


    Keywords: Environment; Nanocomposites; Nanomaterials; New and advanced technology;

    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);
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 295
    Topic: 43

    A series of zinc porphyrin dyes, M-disubstitution push-pull porphyrin, β-disubstotution push-pull porphyrin and M-β-substitution push-pull porphyrin (1-5) by having anchoring group either at meso-phosition (M) or Beta position (β) 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 ᴨ-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-π-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 currentvoltage (JV) 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.


    Keywords: Energy; Nanomaterials; Solar; Synthesis;

    State-of-the-art Bioassays Applications to Monitor Advanced Oxidation Process Efficiency for Environmental Remediation
    Munawar Iqbal1;
    1PAKISTAN, Lahore, Pakistan;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 236
    Topic: 43

    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.


    Keywords: Biomaterials; Environment; Nanomaterials; New and advanced materials; New and advanced technology;

    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;
    Type of Paper: Invited
    Type of Presentation: Oral
    Id Paper: 277
    Topic: 43

    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.


    Keywords: Biomaterials; Nuclear energy;

    Supercapacitors From Biomass-derived Activated Carbons
    Fuqian Yang1;
    1UNIVERSITY OF KENTUCKY, Lexington, United States;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 319
    Topic: 43

    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.


    Keywords: Energy; Renewable energy;

    Sustainable Composite Structural Systems Incorporating Nature and Waste-based Materials
    Togay Ozbakkaloglu1;
    1, Adelaide, Australia;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 216
    Topic: 43

    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.


    Keywords: Biomaterials; Environment; New and advanced materials; New and advanced technology; Sustainable development;

    Sustainable Development of Advanced Composite Materials for Infrastructure Rehabilitation
    Yail Jimmy Kim1;
    1UNIVERSITY OF COLORADO DENVER, Denver, United States;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 126
    Topic: 43

    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).


    Keywords: New and advanced materials; Sustainable development;

    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;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 61
    Topic: 43

    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.


    Keywords: Environment; Nanocomposites; Nanomaterials; Sustainable development; Water purification;

    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;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 280
    Topic: 43

    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.


    Keywords: Environment; Nanocomposites; Nanomaterials; Sustainable development; Water purification;Adsorption, Urea Formaldehyde, CuO

    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;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 74
    Topic: 43

    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.


    Keywords: Energy; Nanocomposites; New and advanced materials; New and advanced technology;

    Synthesis and Multi-scale Characterization of Bio-Adhesives from Bio-mass
    Ellie Fini1; Mahour Parast2;
    1NORTH CAROLINA A&T STATE UNIVERSITY, Greensboro, United States; 2NORTH CAROLINA A&T STATE UNIVERSITY, Greensboro, United States;
    Type of Paper: Keynote
    Type of Presentation: Poster
    Id Paper: 251
    Topic: 43

    This paper introduces a newly developed bio-oil and bio-modifier produced from thermochemical conversion of animal waste. It further discusses the chemical profile and key active compounds in bio-modifier as well as their characteristic behavior in an attempt to tailor bio-oil production to yield the optimum chemistry. Bio-chemicals and additives have long been used to improve the performance of asphalt pavement. This study investigates intermolecular interactions between bio-molecules derived from swine manure and their effect on bitumen interfaces in an attempt to enhance moisture resistance of bitumen to be used as sealants in construction applications. In fact, use of chemicals and additives for specific purposes such as adhesion promotion of bitumen is a common practice. Bio-oils derived from industrial or agricultural waste streams are attractive candidates as low-cost modifiers that would also improve waste management practices and generate new commercial opportunities.
    A major component of the swine manure-derived bio-oil is hexadecanamide, a saturated hydrocarbon terminated with a primary amide. Both H-bonding and dispersion interactions are important in the self-assembly of hexadecanamide, but their relative impacts may differ in the context of bitumen or bio-oil.
    To understand bio-oils effect on enhancing bitumen moisture resistance, this paper examines the intermolecular interactions among aforementioned prominent bio-oils molecules and their effect on bitumen interfaces. Accordingly, it is hypothesized that both the amide and acid compounds found in bio-oil could play an important role in modifying the chemistry and morphology of bitumen interfaces with aggregate, air, and water.
    The study results showed that amide- and acid-terminated surfactant modifiers have very different effects on the surface morphology of bitumen and its interaction with a silica surface. The amide compound in pure form did not mix well with the bitumen. This behavior is attributed to the tendency of the amide to form multiple, strong H-bonds with other amide molecules, effectively hiding its polar head and limiting its function as a surfactant. Calculations based on density functional theory confirm that formation of extensive chains of amide dimers are energetically more favored than that of adsorption complexes of amide-asphaltene or amide-wax. In contrast, the acid appeared to mix well into the bitumen and did not affect the morphology of the bitumen-air interface but severely altered the morphology of the bitumen-glass interface with significant impacts on wetting behavior. Organization of the amide molecules in crystalline layers is influenced by both van der Waals forces and H-bonding interactions, such that almost 49% of stability of the hexadecanamide dimers, in side-to-side arrangement, is due to van der Waals interaction between the aliphatic chains. It was shown that solubilizing agents could reduce the amide intermolecular interactions and its affinity for forming extended chains, increasing its effectiveness as a surfactant promoting anti-stripping properties of bitumen.


    Keywords: Alternative energy sources; Biomaterials; Environment;

    Synthetic Bone Biomaterial: Physicochemical and Biological Investigations
    Hassane Oudadesse1; S MOSBAHI1; S JEBAHI2; A. Lucas-Girot1; H. Elfeki2; A. Elfeki2; G. Cathelineau1;
    1UNIVERSITY OF RENNES 1, Rennes, France; 2UNIVERSITY OF SFAX, Sfax, Tunisia;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 190
    Topic: 43

    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.


    Keywords: Biomaterials;

    The Commercial Application of Nanogold Catalysts
    Caixia Qi1;
    1, Yantai, China;
    Type of Paper: Keynote
    Type of Presentation: Poster
    Id Paper: 218
    Topic: 43

    Nanogold catalysis has been extensively studied since the pioneer work of Haruta that CO oxidation can take place at a temperature as low as -77 over Au nanoparticles deposited on metal-oxide. In past decades, especially in recent 10 years, gold catalysis have become a vital new force in the field of green chemistry due to the global explosive growth of R & D activities in pollution control, fine chemical synthesis and energy etc. From the simple reactions of carbon monoxide oxidation and epoxidation of propylene, the studied reaction systems have been extended to hydrogenation, carbonylation, condensation and other kinds of reactions in organic synthesis. The research category has expanded from heterogeneous catalysis to homogeneous catalysis and photocatalysis. As a promising catalyst system, the industrialization of Au catalysts in large scale is highly expected and many efforts have been done recently. Some Au catalysts have been or being available in the market. In the presentation, an overview on the commercialization situation of gold catalysts at home and aboard including our work at Shandong Applied Research Centre of Gold Nanotechnology (Au-SADRC) will be introduced.


    Keywords: Nanocomposites; Nanomaterials; New and advanced materials; Sustainable development;

    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;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 148
    Topic: 43

    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.


    Keywords: Nuclear energy;

    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;
    Type of Paper: Invited
    Type of Presentation: Oral
    Id Paper: 142
    Topic: 43

    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.


    Keywords: Materials; Measurement; Steel;

    The State-of-the Art Long Distance Gas Pipeline in China
    Chengjia Shang1;
    1UNIVERSITY OF SCIENCE AND TECHNOLOGY BEIJING, Beijing, China;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 196
    Topic: 43

    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.


    Keywords: Energy;

    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;
    Type of Paper: Regular
    Type of Presentation: Oral
    Id Paper: 234
    Topic: 43

    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.


    Keywords: Biomaterials; Environment; Sustainable development; Water purification;

    Trends and Developments in Advanced Manufacturing from Macro- to Nanoscale
    A.g. Mamalis1;
    1DEMOKRITOS NATIONAL CENTER FOR SCIENTIFIC RESEARCH, Athens, Greece;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 133
    Topic: 43

    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.


    Keywords: Energy efficiency; Nanocomposites; New and advanced materials; New and advanced technology; Sustainable development;

    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);
    Type of Paper: Invited
    Type of Presentation: Oral
    Id Paper: 275
    Topic: 43

    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.


    Keywords: Alternative energy sources; Energy; Energy efficiency; Environment; Hydrogen production; Renewable energy; Soil and waste remediation; Sustainable development;

    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;
    Type of Paper: Keynote
    Type of Presentation: Oral
    Id Paper: 104
    Topic: 43

    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.


    Keywords: Biomaterials; Nanomaterials;