Hoover W G.Nonequilibrium Molecular Dynamics. Annual Review of Physical Chemistry . 1983W.G. Hoover, Nonequilibrium molecular dynamics, Nuclear Physics, (1992), pp. 523-536.Hoover, WG, Ashurst, WT (1975) Nonequilibrium Molecular Dynamics. Advances in Theoretical Chemistry I: pp. 1-51...
Hoover.Nonequilibrium Molecular Dynamics. Condens. Matter Phys . 2005Hoover, W.G., Hoover, C.G.: Nonequilibrium molecular dynamics. Condens. Matter Phys. 8(2(42)), 247-260 (2005)Hoover, W.G., Hoover, C.G.: Nonequilibrium molecular dynamics. Condens. Matter Phys 8(2), 247 (2005)....
Molecular PhysicsD.J. Evans, P.T. Cummings, Non-equilibrium molecular dynamics algorithm for the calculation of thermal diffusion in simple fluid mixtures, Molecular Physics, 72 (1991) 893.Evans, D. J., and P. T. Cummings, "Non-Equilibrium Molecular Dynamics Algorithm for the Calculation of ...
A novel non-equilibrium method for calculating transport coefficients is presented. It reverses the experimental cause-and-effect picture, e.g. for the cal... F Müller-Plathe,D Reith - 《Computational & Theoretical Polymer Science》 被引量: 140发表: 1999年 Non-equilibrium molecular dynamics simu...
Nonequilibrium molecular dynamics (NEMD) simulations have been used to examine the structure and friction of stearic acid films adsorbed on iron surfaces with nanoscale roughness. The effect of pressure, stearic acid coverage, and level of surface roughness were investigated. The direct contact of asp...
一般MD模拟 stable 状态下与时间无关 (time independent)的稳态结果 Nonequilibrium Molecular Dynamics (...
1) Non-equilibrium molecular dynamics 非平衡态分子动力学 2) non-equilibrium 非平衡 1. The double fluid model of thenon-equilibriumionization zone in the detonation plasma; 爆轰等离子体非平衡区的双流体模型 2. Heat and mass transfer character on adsorption bed with consideration ofnon-equilibriumadsor...
Non-equilibrium molecular dynamics simulations: Techniques and applications.These lectures notes are devoted to the presentation of properties of matter in non-equilibrium conditions by using the techniques of Non-Equilibrium Molecular Dynamics . As a first application, results on the simulation of shock...
3) non-equilibrium molecular dynamics 非平衡分子动力学 1. Development of non-equilibrium molecular dynamics simulation of gas separation through carbon membranes; 非平衡分子动力学模拟在炭膜气体分离中的研究进展 2. Optimization Methods for Some Non-equilibrium Molecular Dynamics Simulations 一类非平衡...
Non-equilibrium Molecular Dynamics Simulation on Pure Gas Permeability Through Carbon Membranes 来自 知网 喜欢 0 阅读量: 61 作者: SWY Gao 摘要: The permeation of various pure gas (H2, He, Ne, CH4 and Ar) through carbon membranes is investigated using a dual control volume grand canonical ...