Many-body interatomic potentials for computer simulation of physical processes in metals and alloys

V. M. Kuznetsov, G. E. Rudenskii, R. I. Kadyrov, P. Kaminskii

    Research output: Contribution to journalArticle

    2 Citations (Scopus)

    Abstract

    A model of binding forces in metals and alloys, based on the density functional theory and accounted effects of the many-body interactions, was proposed. The developed method can be easily applied for study of metals and alloys by the molecular dynamics simulation. The potentials of interatomic interactions have been found by the proposed method and applied for calculations of equation of state, elastic moduli and phonon dispersion in metals Ni, Al, alloys NiAl and NiaAl. Results of the calculations are in good agreement with known experimental data both for pure metals and alloys.

    Original languageEnglish
    Pages (from-to)429-433
    Number of pages5
    JournalJournal of Materials Science and Technology
    Volume14
    Issue number5
    Publication statusPublished - 1 Dec 1998

    ASJC Scopus subject areas

    • Ceramics and Composites
    • Mechanics of Materials
    • Mechanical Engineering
    • Polymers and Plastics
    • Metals and Alloys
    • Materials Chemistry

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  • Cite this

    Kuznetsov, V. M., Rudenskii, G. E., Kadyrov, R. I., & Kaminskii, P. (1998). Many-body interatomic potentials for computer simulation of physical processes in metals and alloys. Journal of Materials Science and Technology, 14(5), 429-433.