Molecular dynamics simulations of a bistable chemical system

被引:0
|
作者
Gorecki, J
Kawczynski, AL
Nowakowski, B
机构
关键词
bistable system; fluctuations; molecular dynamics simulations;
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Molecular dynamics simulations for a model system in a bistable regime are presented. Fluctuations around the stable states and fluctuations induced transitions between these states are studied. The results are in a good agreement with the Monte Carlo solution of the master equation.
引用
收藏
页码:244 / 252
页数:9
相关论文
共 50 条
  • [1] Molecular dynamics simulations of oscillations in a model chemical system
    Gorecki, J
    Kawczynski, AL
    POLISH JOURNAL OF CHEMISTRY, 1997, 71 (11) : 1553 - 1564
  • [2] Strategies for modeling diverse chemical reactions in molecular dynamics simulations of cluster bombardment
    Kennedy, Paul E.
    Garrison, Barbara J.
    Russo, Michael F.
    van Duin, Adri C. T.
    SURFACE AND INTERFACE ANALYSIS, 2011, 43 (1-2) : 126 - 128
  • [3] Fluctuations in molecular dynamics simulations
    Hoyt, J. J.
    Trautt, Z. T.
    Upmanyu, M.
    MATHEMATICS AND COMPUTERS IN SIMULATION, 2010, 80 (07) : 1382 - 1392
  • [4] Molecular dynamics simulations of sliding in an Fe-Cu tribopair system
    Karthikeyan, S.
    Agrawal, A.
    Rigney, D. A.
    WEAR, 2009, 267 (5-8) : 1166 - 1176
  • [5] Modelling of bistable chemical system by cellular automata technique
    Frankowicz, M
    Kawczynski, AL
    POLISH JOURNAL OF CHEMISTRY, 1997, 71 (04) : 467 - 473
  • [6] Heat Transfer Characteristics in an Asymmetrical Solid–Liquid System by Molecular Dynamics Simulations
    Yuan Feng
    Xingang Liang
    International Journal of Thermophysics, 2015, 36 : 1519 - 1529
  • [7] Molecular dynamics simulations of potassium channels
    Domene, Carmen
    CENTRAL EUROPEAN JOURNAL OF CHEMISTRY, 2007, 5 (03): : 635 - 671
  • [8] Molecular dynamics simulations of energetic solids
    Politzer, P
    Boyd, S
    STRUCTURAL CHEMISTRY, 2002, 13 (02) : 105 - 113
  • [9] Molecular dynamics simulations of biomembrane models
    Vergoten, G
    BIOSPECTROSCOPY, 1998, 4 (05): : S41 - S46
  • [10] Molecular dynamics simulations and drug discovery
    Durrant, Jacob D.
    McCammon, J. Andrew
    BMC BIOLOGY, 2011, 9