Meanwhile, Molecular Dynamic method is adopted to simulate the diffusion behaviour of Al-Mg system in this work.
与此同时，本研究选取了分子动力学方法作为模拟铝-镁扩散体系的模拟方法。
The bending process of a single crystalline nano-copper cantilever beam with holes was simulated by using the molecular dynamic method.
应用分子动力学方法模拟了带孔纳米单晶铜悬臂梁的弯曲过程。
In this paper, the theory of constructing PES of polyatomic molecules by dynamic Lie algebraic method is presented, and its application in different molecular systems is introduced.
本文主要介绍了用动力学李代数方法构造多原子分子势能面的理论方法，及其在不同分子体系中的应用。
Phase equilibria properties of alternative refrigerant have been researched by using the method of molecular dynamic simulation.
本文利用分子动力学模拟算法研究制冷剂替代物的气液相平衡性质。
In the second chapter, some computational methods including quantum chemistry method, Molecular Mechanics, Molecular Dynamic simulation, Monte Carlo method and so on, were briefly reviewed.
在第二章中，简要介绍了常用的计算化学方法，主要包括量子化学方法、分子力学、分子动力学和蒙特卡罗等方法。
This paper presents a simple and efficient dynamic load balancing method on the base of static load balancing, which aim at the non-balancing of 3d molecular dynamic parallel numerical simulation.
文章针对三维分子动力学并行数值模拟中出现的负载不平衡现象，在静态负载平衡基础上，提出了一种简单有效的动态负载平衡算法。
Elastic dynamics method predicts that stress wave has remarkable effects on dynamic buckling of the nano crystal copper wire. Comparison with molecular dynamics resu...
用弹性动力学理论分析了应力波传播对纳米铜线的动力屈曲的影响，并与分子动力学模拟的结果进行了比较。
Elastic dynamics method predicts that stress wave has remarkable effects on dynamic buckling of the nano crystal copper wire. Comparison with molecular dynamic...
用弹性动力学理论分析了应力波传播对纳米铜线的动力屈曲的影响，并与分子动力学模拟的结果进行了比较。
With the method of molecular dynamic simulation combined with the two-temperature model, the physical process of fs laser ablating nickels was theoretically simulated.
并数值模拟了实验室参数条件下飞秒激光烧蚀金属镍的物理过程及特征。
With the method of molecular dynamic simulation combined with the two-temperature model, the physical process of fs laser ablating nickels was theoretically simulated.
并数值模拟了实验室参数条件下飞秒激光烧蚀金属镍的物理过程及特征。
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