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

    Fingerprint

    Metals
    Computer simulation
    Equations of state
    Density functional theory
    Molecular dynamics
    Elastic moduli

    ASJC Scopus subject areas

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

    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.

    Many-body interatomic potentials for computer simulation of physical processes in metals and alloys. / Kuznetsov, V. M.; Rudenskii, G. E.; Kadyrov, R. I.; Kaminskii, P.

    In: Journal of Materials Science and Technology, Vol. 14, No. 5, 01.12.1998, p. 429-433.

    Research output: Contribution to journalArticle

    Kuznetsov, VM, Rudenskii, GE, Kadyrov, RI & Kaminskii, P 1998, 'Many-body interatomic potentials for computer simulation of physical processes in metals and alloys', Journal of Materials Science and Technology, vol. 14, no. 5, pp. 429-433.
    Kuznetsov, V. M. ; Rudenskii, G. E. ; Kadyrov, R. I. ; Kaminskii, P. / Many-body interatomic potentials for computer simulation of physical processes in metals and alloys. In: Journal of Materials Science and Technology. 1998 ; Vol. 14, No. 5. pp. 429-433.
    @article{95b5aae0003e4f3fb0d9733b6b3eeee5,
    title = "Many-body interatomic potentials for computer simulation of physical processes in metals and alloys",
    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.",
    author = "Kuznetsov, {V. M.} and Rudenskii, {G. E.} and Kadyrov, {R. I.} and P. Kaminskii",
    year = "1998",
    month = "12",
    day = "1",
    language = "English",
    volume = "14",
    pages = "429--433",
    journal = "Journal of Materials Science and Technology",
    issn = "1005-0302",
    publisher = "Chinese Society of Metals",
    number = "5",

    }

    TY - JOUR

    T1 - Many-body interatomic potentials for computer simulation of physical processes in metals and alloys

    AU - Kuznetsov, V. M.

    AU - Rudenskii, G. E.

    AU - Kadyrov, R. I.

    AU - Kaminskii, P.

    PY - 1998/12/1

    Y1 - 1998/12/1

    N2 - 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.

    AB - 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.

    UR - http://www.scopus.com/inward/record.url?scp=0032270144&partnerID=8YFLogxK

    UR - http://www.scopus.com/inward/citedby.url?scp=0032270144&partnerID=8YFLogxK

    M3 - Article

    VL - 14

    SP - 429

    EP - 433

    JO - Journal of Materials Science and Technology

    JF - Journal of Materials Science and Technology

    SN - 1005-0302

    IS - 5

    ER -