Ab initio calculations for search optimization of multicomponent alloy configurations

A. Yu Nikonov, A. M. Zharmukhambetova, A. I. Dmitriev

    Результат исследований: Материалы для книги/типы отчетовМатериалы для конференции

    2 Цитирования (Scopus)

    Аннотация

    The paper presents an algorithm for optimization of searching configurations of multicomponent alloys that have a predetermined value of physical and mechanical properties. Values obtained by Exact MT Orbitals (EMTO) were used for calculations. The algorithm efficiency is demonstrated on an example of estimating the bulk modulus of a three-component alloy based on Ti, Nb and Zr. It is shown that the use of the algorithm can in some cases reduce the amount of calculations by 10 times or more.

    Язык оригиналаАнглийский
    Название основной публикацииAdvanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2016: Proceedings of the International Conference on Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2016
    ИздательAmerican Institute of Physics Inc.
    Том1783
    ISBN (электронное издание)9780735414457
    DOI
    СостояниеОпубликовано - 10 ноя 2016
    СобытиеInternational Conference on Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2016 - Tomsk, Российская Федерация
    Продолжительность: 19 сен 201623 сен 2016

    Конференция

    КонференцияInternational Conference on Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2016
    СтранаРоссийская Федерация
    ГородTomsk
    Период19.9.1623.9.16

    ASJC Scopus subject areas

    • Physics and Astronomy(all)

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  • Цитировать

    Nikonov, A. Y., Zharmukhambetova, A. M., & Dmitriev, A. I. (2016). Ab initio calculations for search optimization of multicomponent alloy configurations. В Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2016: Proceedings of the International Conference on Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2016 (Том 1783). [020165] American Institute of Physics Inc.. https://doi.org/10.1063/1.4966458