Non-equilibrium molecular dynamics and continuum modelling of transient freezing of atomistic solids

被引：0
|
作者：
Font, Francesc [1 ]
Micou, William [2 ]
Bresme, Fernando [2 ]
机构：
[1] Centre de Recerca Matemàtica, Campus de Bellaterra, Edifici C, Bellaterra, Barcelona,08193, Spain
[2] Department of Chemistry, Molecular Sciences Research Hub, Imperial College, London,W12 0BZ, United Kingdom
来源：
International Journal of Heat and Mass Transfer | 2021年 / 164卷
关键词：
Solidification;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
相关论文
共 50 条
  • [31] Non-equilibrium ring-polymer molecular dynamics
    Welsch, Ralph
    Althorpe, Stuart
    Miller, Thomas
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 251
  • [32] ATOMISTIC NON-EQUILIBRIUM COMPUTER-SIMULATIONS
    HOOVER, WG
    PHYSICA A, 1983, 118 (1-3): : 111 - 122
  • [33] On the effect of the thermostat in non-equilibrium molecular dynamics simulations
    Ruiz-Franco, Jose
    Rovigatti, Lorenzo
    Zaccarelli, Emanuela
    EUROPEAN PHYSICAL JOURNAL E, 2018, 41 (07):
  • [34] Non-equilibrium molecular dynamics integrators using Maple
    Searles, DJ
    Isbister, DJ
    Evans, DJ
    MATHEMATICS AND COMPUTERS IN SIMULATION, 1998, 45 (1-2) : 147 - 162
  • [35] Non-equilibrium conformational dynamics in the function of molecular chaperones
    Barducci, Alessandro
    De Los Rios, Paolo
    CURRENT OPINION IN STRUCTURAL BIOLOGY, 2015, 30 : 161 - 169
  • [36] On the effect of the thermostat in non-equilibrium molecular dynamics simulations
    José Ruiz-Franco
    Lorenzo Rovigatti
    Emanuela Zaccarelli
    The European Physical Journal E, 2018, 41
  • [37] Non-equilibrium molecular dynamics study of KcsA gating
    Biggin, PC
    Shrivastava, IH
    Smith, GR
    Sansom, MSP
    BIOPHYSICAL JOURNAL, 2001, 80 (01) : 114A - 114A
  • [38] Non-equilibrium molecular dynamics integrators using Maple
    Univ of Queensland, Brisbane
    Math Comput Simul, 1-2 (147-162):
  • [39] Studying polymer diffusiophoresis with non-equilibrium molecular dynamics
    Ramirez-Hinestrosa, S.
    Yoshida, H.
    Bocquet, L.
    Frenkel, D.
    JOURNAL OF CHEMICAL PHYSICS, 2020, 152 (16):
  • [40] A reversible problem in non-equilibrium thermodynamics: Hamiltonian evolution equations for non-equilibrium molecular dynamics simulations
    Edwards, BJ
    Dressler, M
    JOURNAL OF NON-NEWTONIAN FLUID MECHANICS, 2001, 96 (1-2) : 163 - 175
12345