A comparison of non-equilibrium molecular dynamics and NPT Monte Carlo methods for mixing properties and partial molar quantities

被引:0
|
作者
Hafskjold, B.
Fujihara, I.
Ikeshoji, T.
机构
来源
Molecular Physics | / 90卷 / 06期
关键词
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
  • [21] Rheology and structural properties of hyperbranched polymers: a non-equilibrium molecular dynamics study
    Le, Tu C.
    Todd, Billy D.
    Daivis, Peter J.
    Uhlherr, Alfred
    XVTH INTERNATIONAL CONGRESS ON RHEOLOGY - THE SOCIETY OF RHEOLOGY 80TH ANNUAL MEETING, PTS 1 AND 2, 2008, 1027 : 433 - +
  • [22] Monte Carlo estimates of interfacial tension in the two-dimensional Ising model from non-equilibrium methods
    Hijar, Humberto
    Sutmann, Godehard
    JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT, 2008,
  • [23] SHEAR VISCOSITIES AWAY FROM THE MELTING LINE - A COMPARISON OF EQUILIBRIUM AND NON-EQUILIBRIUM MOLECULAR-DYNAMICS
    HOLIAN, BL
    EVANS, DJ
    JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (08): : 5147 - 5150
  • [24] Quantifying surface free energy of molecular crystal β-HMX using non-equilibrium molecular dynamics methods
    Brahmbhatt, J.
    Bidault, X.
    Chaudhuri, S.
    JOURNAL OF APPLIED PHYSICS, 2021, 130 (13)
  • [25] A non-equilibrium molecular dynamics study of subcritical, supercritical and transcritical mixing of liquid-gas systems
    Rahmani, Farzin
    Weathers, Timothy
    Hosangadi, Ashvin
    Chiew, Yee C.
    CHEMICAL ENGINEERING SCIENCE, 2020, 214
  • [26] A non-equilibrium molecular dynamics study of subcritical, supercritical and transcritical mixing of liquid-gas systems
    Rahmani, Farzin
    Weathers, Timothy
    Hosangadi, Ashvin
    Chiew, Yee C.
    Chemical Engineering Science, 2021, 214
  • [27] Monte Carlo simulations of the equilibrium and non-equilibrium properties of low-dimensional magnetic systems with long-range dipolar interactions
    Diaz-Mendez, Rogelio
    Mulet, Roberto
    JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2005, 294 (02) : E21 - E25
  • [28] Evaluation of momentum conservation influence in non-equilibrium molecular dynamics methods to compute thermal conductivity
    Huang, ZX
    Tang, ZA
    PHYSICA B-CONDENSED MATTER, 2006, 373 (02) : 291 - 296
  • [29] Comparison Between Non-Equilibrium Green's Function and Monte Carlo Simulations for Transport in a Silicon Quantum Wire Structure
    D. Guan
    A. Godoy
    U. Ravaioli
    F. Gamiz
    Journal of Computational Electronics, 2003, 2 : 335 - 339
  • [30] Comparison of non-equilibrium Green's function and quantum-corrected Monte Carlo approaches in nano MOS simulation
    Tsuchiya H.
    Svizhenko A.
    Anantram M.P.
    Ogawa M.
    Miyoshi T.
    Journal of Computational Electronics, 2005, 4 (1-2) : 35 - 38