The results of our MD simulation on decompression and recompression are similar to the experimental results.
减压缩和重压缩的MD模拟数据与实验结果相似。
The hydrogen bond structure and diffusion behavior of water at supercritical states were investigated by MD simulation.
采用分子动力学(MD)模拟的方法对超临界条件下水的结构及扩散性质进行了研究。
The READE (Rare Event Algorithm with Dose Effect) method can well speed up the MD simulation of ion implantation with dose effect.
（包含剂量效应的稀有事件算法）方法可以很好的加速含剂量效应的离子注入的分子动力学模拟。
It also summarizes MD simulation in the studies of solid bulk characters, surface problem, interface problem and the progress of thin film formation etc.
介绍用分子动力学模拟方法研究固体的体相结构，表面问题，界面问题以及薄膜形成过程等方面的研究成果。
In summary, group contribution method and MD simulation can properly calculate the properties of high-density fuel. They may providing a guidance for fuel design and synthesis.
本文研究结果表明，基团贡献法和分子动力学模拟能够较准确地计算高密度燃料的各种物性，可以为高密度燃料的设计及合成提供预测和指导。
The SU-8 photoresist was performed energy minimization and MD simulation time after time until the system achieved equilibrium completely. And the elastic constants were analysed with analysis tool.
在高温高压下对SU - 8胶反复进行能量最小化和分子动力学模拟，直到体系达到完全的平衡后，分析体系的静态弹性常数。
The aluminum and carbon clusters impacting on gold thin films have been studied by molecular dynamics (MD) simulation.
本文基于分子动力学模拟研究铝原子簇和碳原子簇轰击金薄膜的碰撞级联过程。
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。
A new method for the acceleration of MD (molecular dynamics) simulation of ion implantation into crystalline targets is presented.
提出了一种用于分子动力学(MD)模拟晶体靶材料中离子注入的加速算法。
The density profile of hard sphere fluid confined in two parallel hard walls was studied by using Rosenfeld density Functional Theory (DFT) and Molecular Dynamics (MD) simulation method.
利用密度泛函理论和分子动力学方法，对处于两平行硬墙之间的硬球流体的密度分布进行了计算。
The density profile of hard sphere fluid confined in two parallel hard walls was studied by using Rosenfeld density Functional Theory (DFT) and Molecular Dynamics (MD) simulation method.
利用密度泛函理论和分子动力学方法，对处于两平行硬墙之间的硬球流体的密度分布进行了计算。
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