The CNTs dynamic characteristics in assemble process were studied by molecular dynamics.

本文采用分子动力学模拟系统地研究了碳纳米管在自组装过程中的运动特性.

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We aim at performing all - atom high - throughput molecular dynamics simulations.

我们的目标是执行全原子 高通量 分子动力学的模拟.

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Methods: The MM + force - field based molecular dynamics ( MD ) method uas used.

方法基于MM+力场的传统分子动力学方法.

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The conclusion is validated by Tersoff - Brenner molecular dynamics simulation.

基于Tersoff-Brenner作用势的分子动力学结果证实了这一结论.

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It can also perform molecular dynamics simulations.

它能也执行分子的动力学模拟.

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The method is presented on the molecular dynamics MD analysis of nanometric micro - cutting process.

介绍一种用于分析纳米级微切削过程的分子动力学新方法.

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This paper introduces the Molecular Dynamics method, including its thought way, simulation process and simulation details.

本文系统介绍了分子动力学方法, 包括其模拟思想 、 步骤和细节.

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The isospin fractionation intermediate ion collisions is studied by using isospin dependence quantum molecular dynamics model.

利用同位旋相关的量子分子动力学模型研究了中能重离子碰撞中同位旋分馏过程.

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Furthermore, the hydrogen adsorption behavior in carbon nanotubes was simulated using GCMC molecular dynamics method.

并采用巨正则蒙特卡罗分子动力学方法模拟了纳米碳管中氢的存储行为.

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In this paper molecular dynamics ( MD ) simulation was applied to validate COMPASS force field for HMX.

首先通过分子动力学 ( MD ) 模拟考察了COMPASS力场对HMX的 适用性.

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Dynamic behaviors and thermodynamic properties of liquid - vapor interface atequilibrium are studied with molecular dynamics simulations.

本文采用分子动力学方法研究了热平衡条件下的汽液界面的动力学行为和热力学性质.

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