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    Space computer models for phase diagrams of ternary & quaternary systems to design material microstructure after verification of data interpretation
    Vasily Lutsyk1; Vera Vorob'eva1; Anna Zelenaya1; Maria Parfenova1;
    1INSTITUTE OF PHYSICAL MATERIALS SCIENCE SB RAS, Ulan-Ude, Russian Federation;
    PAPER: 317/Nonferrous/Keynote (Oral)
    SCHEDULED: 11:55/Wed. 30 Nov. 2022/Arcadia 2



    ABSTRACT:
    The assembled 3D and 4D computer models of T-x-y and T-x-y-z diagrams permit to verify and validate the data on phase equilibria and to design the microstructures of heterogeneous material, including the materials genome decoding. “Phase Diagram (PD) as a Tool of Materials Science”, http://ipms.bscnet.ru/labs/skkm.html , is focused on the following topics: concentration fields of different dimension with the different solidification schemes and microstructures, correction of PD graphics, multi-component systems polyhedration, 3- and 4-phase regions with the reaction type changing, competition of crystals with different dispersion in the invariant regrouping of masses, mathematical approximation of PD, assembling of PD computer models, 3D prototyping of the phase regions and concentration simplexes for the exploded PD and for the concentration complexes of the reciprocal quaternary systems, simulation of DTA spectra and X-ray analysis spectra in the training programs for specialists in the field of physics-chemical analysis. Computer models of PD are the wonderful addition for the thermodynamicaly assessed experimental PD.<br />This work was been performed under the program of fundamental research SB RAS (project 0270-2021-0002).

    References:
    1. Lutsyk V.I., Vorob’eva V.P. Relation between the Mass-Centric Coordinates in Multicomponent Salt Systems // Z. Naturforsch. A. 2008. Vol. 63a. No 7-8. P. 513-518.
    2. Yeremenko V.N., Khoruzhaya V.G., Shtepa T.D. Phase equilibria at the crystallization of alloys in the system Ti-Ru-Ir // Powder Metallurgy. 1987. No 11. P. 72-77 (In Russian).
    3. Lutsyk V.I., Vorob’eva V.P. Study of change conditions for the three-phase transformation type in the system Ti-Ir-Ru // Perspectivnye Materialy. 2011. No 13. P. 191-197 (In Russian).
    4. Atlas of Phase Diagrams for Lead-Free Soldering, compiled by A. Dinsdale, A. Watson et al. European Science Foundation, Brno, Czech Rep.: Vydavatelstvi KNIHAR, 2008. Vol. 1.
    5. Lutsyk V.I., Vorob’eva V.P., Nasrulin E.R. T-x-y Diagrams with Primary Crystallization Fields of Low-Temperature Modifications //Crystallography Reports. 2009. Vol. 54. No 7. P. 1289-1299.
    6. Lutsyk V.I. Diagrams of lead-free soldering systems with thermodynamic contours of minimal surfaces // Nanomaterials: Applications and Properties (NAP-2011). Vol. 2, Part I, P. 10-19.