分子动力学模拟

H型气体水合物结构稳定性的分子动力学模拟

Molecular dynamics simulation on structure and stability of H type gas hydrate

基于镶嵌原子势的纯Al快速凝固过程分子动力学模拟

Molecular dynamics simulation of rapid solidification process for Al by using EAM

金属Al表面熔化各向异性的分子动力学模拟

Molecular dynamics simulation of the anisotropy of surface melting of metal Al

分子动力学模拟固态Al的自扩散性质

Study of Solid Aluminium Self-diffusion by Molecular Dynamics Simulation

应变效应对金属Cu表面熔化影响的分子动力学模拟

Molecular dynamics simulation of strain effects on surface melting for metal Cu

纯CO2体系扩散性质的分子动力学模拟

Molecular Dynamics Simulation on Diffusivity of Pure CO_2 System

C2在金刚石（111）表面吸附和离子束辅助沉积类金刚石膜的分子动力学模拟

Molecular Dynamics Simulation of C_2 Adsorption on Diamond ( 111 ) Surface and Diamond-like Carbon Ion Beam Assisted Deposition

液态Al2O3结构的分子动力学模拟

Molecular dynamics simulation of structral properties of liquid Al _2O_3

过冷及非晶态Cu扩散性质的分子动力学模拟

Molecular dynamics simulations of diffusion properties of Cu in supercooled liquid and amorphous state

ZnO岩盐结构熔化特性的分子动力学模拟

Molecular Dynamics Simulation for Melting Properties of the Rocksalt Structure of ZnO

分子动力学模拟金属玻璃Cu应力晶化的应变率效应

Molecular dynamics simulation of strain rate effect on stress induced crystallization for metallic glass Cu

熔融NaCaF3、Na2CaF4和Na3CaF5的分子动力学模拟

Molecular Dynamics Simulations of Molten Salt Solutions NaCaF_3 , Na_2CaF_4 and Na_3CaF_5

不同温度下Si（001）表面各种亚稳态结构的分子动力学模拟

Molecular dynamics simulations of various metastable structures on Si ( 001 ) at different temperatures

Si中30°部分位错和单空位相互作用的分子动力学模拟

Molecular dynamics simulation of the interaction between 30 ° partial dislocation and MONOVACANCY in Si

Cu表面生长Ag薄膜过程的分子动力学模拟

Molecular Dynamics Simulation of the Process of Growth of Ag Film on Cu Surface

α-Fe和Ni纳米丝单向拉伸过程的分子动力学模拟

Molecular dynamics simulation for axial tension process of α - Fe and Ni nano wires

氢在Nd晶体中行为的分子动力学模拟

The simulation of the hydrogen motion in the Nd crystal by molecular dynamic

Ti（0001）表面低能沉积Ti原子的分子动力学模拟

Molecular dynamics simulation of depositing low-energy atom ti on ti ( 0001 ) surface

我们利用分子动力学模拟的方法的研究了Si熔体在单壁碳纳米管表面异质凝固情况。

We used molecular dynamics simulation studied Si melt heterogeneous solidifying on surfaces of carbon nanotubes .

Ag低指数表面非谐效应的分子动力学模拟

Molecular dynamics simulation of anharmonic effects for low Miller index surfaces of Ag

基于FPGA的分子动力学模拟系统设计

FPGA-Based Molecular Dynamics Simulations System Design

在本章中，我们将采用分子动力学模拟的方法研究DNA在不同浓度盐溶液中的构象转变过程。

In this chapter , we use MD simulations to investigate the effect of salt concentration on the DNA conformation transition processes .

用分子动力学模拟研究FCC金属的应变率敏感性

Strain Rate Sensitivities of FCC Metals Using Molecular Dynamics Simulation

熔融Cu（55）团簇在铜块体中凝固过程的分子动力学模拟

Molecular dynamics simulations of a molten Cu_ ( 55 ) cluster embedded in face-centred cubic bulk during solidification

贵金属Au的液态结构分子动力学模拟

The Molecular Dynamics Simulation of Liquid Noble Metal Au

通过对Ag和Au这2种典型面心立方晶体的分子动力学模拟计算，得到了它们的弹性常数，并与文献中的实验结果进行了对比，取得了较好的一致性。

The elastic constants of Ag and Au are calculated by molecular dynamic simulation .

（AgI）n团簇熔化行为的分子动力学模拟

Melting Behavior of ( AgI ) _n Clusters by Molecular Dynamics Simulation

MgO材料高压熔化特性的分子动力学模拟

Molecular dynamics simulation of melting in MgO at high pressure

Cu在TaN（111）表面团聚行为的分子动力学模拟

A Molecular Dynamics Simulation on the Agglomeration Behavior of Cu on TaN ( 111 ) Surface

通过X射线衍射从实验上研究了海水近似溶液的结构，并与分子动力学模拟模拟结果对比，提出了修正的布拉格方程。

Structure of similar seawater is studied through X-ray diffraction . Compared with MD simulation , yielding Bragg equation is proposed .