Prediction of the diffusion characteristics of the V-Cr system by molecular dynamics based on N-body interatomic potentials

被引：0
|
作者：
Maksimenko, V.N. [1 ]
Lipnitskii, A.G. [1 ]
Saveliev, V.N. [1 ]
Nelasov, I.V. [2 ]
Kartamyshev, A.I. [3 ,4 ]
机构：
[1] The Center of Nanostructured Materials and Nanotechnologies, Belgorod State University, Belgorod, Russia
[2] Institute of Problems of Chemical Physics (IPCP), Russian Academy of Sciences, Chernogolovka, Moscow, Russia
[3] Division of Computational Physics, Institute for Computational Science, Ton Duc Thang University, Ho Chi Minh City, Viet Nam
[4] Faculty of Electrical and Electronics Engineering, Ton Duc Thang University, Ho Chi Minh City, Viet Nam
来源：
Computational Materials Science | 2021年 / 198卷
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
81
引用
收藏
相关论文
共 18 条
  • [1] Prediction of the diffusion characteristics of the V-Cr system by molecular dynamics based on N-body interatomic potentials
    Maksimenko, V. N.
    Lipnitskii, A. G.
    Saveliev, V. N.
    Nelasov, I., V
    Kartamyshev, A., I
    COMPUTATIONAL MATERIALS SCIENCE, 2021, 198
  • [2] The N-body interatomic potential for molecular dynamics simulations of diffusion in tungsten
    Maksimenko, V. N.
    Lipnitskii, A. G.
    Kartamyshev, A., I
    Poletaev, D. O.
    Kolobov, Yu R.
    COMPUTATIONAL MATERIALS SCIENCE, 2022, 202
  • [3] N-body interatomic potential for molecular dynamics simulations of V-Cr-Nb-Mo-Ta-W system
    Maksimenko, V. N.
    Lipnitskii, A. G.
    Saveliev, V. N.
    Kartamyshev, A. I.
    Vyazmin, A. V.
    Poletaev, D. O.
    COMPUTATIONAL MATERIALS SCIENCE, 2025, 247
  • [4] The N-body interatomic potentials for molecular dynamics simulations of diffusion in C15 Cr2Ta Laves phase
    Poletaev, D. O.
    Lipnitskii, A. G.
    Maksimenko, V. N.
    Kolobov, Yu. R.
    Beresnev, A. G.
    Gusakov, M. S.
    COMPUTATIONAL MATERIALS SCIENCE, 2023, 216
  • [5] Development of n-body expansion interatomic potentials and its application for V
    Lipnitskii, A. G.
    Saveliev, V. N.
    COMPUTATIONAL MATERIALS SCIENCE, 2016, 121 : 67 - 78
  • [6] The N-body interatomic potential for carbon: Influence of the precision of three-body interactions' contribution on the accuracy of molecular dynamics simulations
    Kartamyshev, A. I.
    Lipnitskii, A. G.
    Chepelev, I. G.
    Vyazmin, A. V.
    Poletaev, D. O.
    COMPUTATIONAL MATERIALS SCIENCE, 2024, 242
  • [7] A STUDY OF PARALLEL MOLECULAR-DYNAMICS ALGORITHMS FOR N-BODY SIMULATIONS ON A TRANSPUTER SYSTEM
    LI, J
    BRASS, A
    WARD, DJ
    ROBSON, B
    PARALLEL COMPUTING, 1990, 14 (02) : 211 - 222
  • [8] Diffusion behavior determined by the new n-body potential in highly immiscible W/Cu system through molecular dynamics simulations
    Wang, Kai
    Chen, Xin
    Huang, Siyi
    Chen, Xingyu
    Wang, Zumin
    Huang, Yuan
    JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T, 2023, 24 : 3731 - 3745
  • [9] Efficient recursive Adams-Bashforth methods in molecular dynamics simulations of N-body systems interacting through pairwise potentials
    Marti, Jordi
    Diaz, Bernat
    MOLECULAR SIMULATION, 2020, 46 (16) : 1248 - 1254
  • [10] Structural stability and amorphization transition in the Ni-Ti system studied by molecular dynamics simulation with an n-body potential
    Lai, WS
    Zhang, Q
    Liu, BX
    Ma, E
    JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 2000, 69 (09) : 2923 - 2937
12