Potentials of interatomic interaction in molecular dynamics

被引:0
|
作者
Department of Metal Physics and Computer Technologies, St. Petersburg State Polytechnic University, Polytekhnicheskaya 29, 195251, St. Petersburg, Russia [1 ]
机构
来源
Rev. Adv. Mater. Sci. | 2009年 / 1卷 / 1-13期
关键词
D O I
暂无
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
相关论文
共 50 条
  • [21] Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials
    Zaverkin, Viktor
    Holzmueller, David
    Christiansen, Henrik
    Errica, Federico
    Alesiani, Francesco
    Takamoto, Makoto
    Niepert, Mathias
    Kaestner, Johannes
    NPJ COMPUTATIONAL MATERIALS, 2024, 10 (01)
  • [22] SHOCK COMPRESSION OF DIAMOND: MOLECULAR DYNAMICS SIMULATIONS USING DIFFERENT INTERATOMIC POTENTIALS
    Perriot, Romain
    Lin, You
    Zhakhovsky, Vasily V.
    Pineau, Nicolas
    Los, Jan H.
    Maillet, Jean-Bernard
    Soulard, Laurent
    White, Carter T.
    Oleynik, Ivan I.
    SHOCK COMPRESSION OF CONDENSED MATTER - 2011, PTS 1 AND 2, 2012, 1426
  • [23] Comparison of molecular dynamics methods and interatomic potentials for calculating the thermal conductivity of silicon
    Howell, P. C.
    JOURNAL OF CHEMICAL PHYSICS, 2012, 137 (22)
  • [24] Molecular Dynamics of Water Clusters and Interaction Potentials
    Belega, E. D.
    Trubnikov, D. N.
    DOKLADY MATHEMATICS, 2019, 99 (01) : 83 - 86
  • [25] Molecular Dynamics of Water Clusters and Interaction Potentials
    E. D. Belega
    D. N. Trubnikov
    Doklady Mathematics, 2019, 99 : 83 - 86
  • [26] Sintering of alumina nanoparticles: comparison of interatomic potentials, molecular dynamics simulations, and data analysis
    Roy, S.
    Prakash, A.
    Sandfeld, S.
    MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2022, 30 (06)
  • [27] Interatomic pair potentials from DFT and molecular dynamics for Ca, Ba, and Sr hexaborides
    Schmidt, Kevin M.
    Buettner, Alex B.
    Graeve, Olivia A.
    Vasquez, Victor R.
    JOURNAL OF MATERIALS CHEMISTRY C, 2015, 3 (33) : 8649 - 8658
  • [28] Scalable Parallel Algorithm for Graph Neural Network Interatomic Potentials in Molecular Dynamics Simulations
    Park, Yutack
    Kim, Jaesun
    Hwang, Seungwoo
    Han, Seungwu
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2024, 20 (11) : 4857 - 4868
  • [29] Molecular dynamics simulations of Si-F surface chemistry with improved interatomic potentials
    Humbird, D
    Graves, DB
    PLASMA SOURCES SCIENCE & TECHNOLOGY, 2004, 13 (03) : 548 - 552
  • [30] The Effect of Interatomic Potentials on the Onset of Plasticity in the Molecular Dynamics (MD) Simulation of Nanometric Machining
    Oluwajobi, Akinjide
    Chen, Xun
    ADVANCES IN ENGINEERING PLASTICITY XI, 2013, 535-536 : 330 - +