Umbrella sampling in non-equilibrium computer simulations

被引：4
|
作者：
Blaak, R [1 ]
Löwen, H [1 ]
机构：
[1] Univ Dusseldorf, Inst Theoret Phys 2, D-40225 Dusseldorf, Germany
来源：
COMPUTER PHYSICS COMMUNICATIONS | 2005年 / 169卷 / 1-3期
关键词：
non-equilibrium; simulation; nucleation;
D O I：
10.1016/j.cpc.2005.03.017
中图分类号：
TP39 [计算机的应用];
学科分类号：
081203 ; 0835 ;
摘要：
We describe the application of the umbrella sampling technique well known from equilibrium Monte Carlo to dynamical, non-equilibrium simulations. This method is used specifically to calculate the nucleation barrier of Brownian Yukawa particles in a homogeneous shear flow. (c) 2005 Elsevier B.V. All rights reserved.
引用
收藏
页码：64 / 68
页数：5
相关论文
共 50 条
  • [41] A localized momentum constraint for non-equilibrium molecular dynamics simulations
    Smith, E. R.
    Heyes, D. M.
    Dini, D.
    Zaki, T. A.
    JOURNAL OF CHEMICAL PHYSICS, 2015, 142 (07):
  • [42] Non-equilibrium phase behavior of hydrocarbons in compositional simulations and upscaling
    Ilya M. Indrupskiy
    Olga A. Lobanova
    Vadim R. Zubov
    Computational Geosciences, 2017, 21 : 1173 - 1188
  • [43] Strong coupling from non-equilibrium Monte Carlo simulations
    Francesconi, Olmo
    Panero, Marco
    Preti, David
    JOURNAL OF HIGH ENERGY PHYSICS, 2020, 2020 (07)
  • [44] Non-equilibrium properties of interatomic potentials in cascade simulations in tungsten
    Sand, A. E.
    Dequeker, J.
    Becquart, C. S.
    Domain, C.
    Nordlund, K.
    JOURNAL OF NUCLEAR MATERIALS, 2016, 470 : 119 - 127
  • [45] Classical molecular dynamics simulations for non-equilibrium correlated plasmas
    Ferri, S.
    Calisti, A.
    Talin, B.
    ATOMIC PROCESSES IN PLASMAS (APIP 2016), 2017, 1811
  • [46] Ageing and non-equilibrium critical phenomena in Monte Carlo simulations
    Prudnikov, V. V.
    Prudnikov, P. V.
    25TH IUPAP CONFERENCE ON COMPUTATIONAL PHYSICS (CCP2013), 2014, 510
  • [47] Entanglement entropy from non-equilibrium Monte Carlo simulations
    Andrea Bulgarelli
    Marco Panero
    Journal of High Energy Physics, 2023
  • [48] Application of Monte Carlo simulations to non-equilibrium dynamic systems
    Liu, M. (liumz@cdut.edu.cn), 1600, Editorial Office of High Power Laser and Particle Beams, P.O. Box 919-805, Mianyang, 621900, China (25):
  • [49] Entanglement entropy from non-equilibrium Monte Carlo simulations
    Physics Department, University of Turin, INFN, Turin unit Via Pietro Giuria 1, Turin
    I-10125, Italy
    arXiv, 1600,
  • [50] Hot spots in silicon by non-equilibrium molecular dynamics simulations
    Tampere University of Technology, Institute of Electronics, P. O. Box 692, FIN-33101 Tampere, Finland
    J. Comput. Theor. Nanosci., 2007, 1 (168-173):
12345