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- Molecular dynamics calculation of macroscopic properties for precious metal Au 贵金属Au宏观物性的分子动力学模拟计算
- Molecular dynamics calculation 分子动力学计算
- It can also perform molecular dynamics simulations. 它能也执行分子的动力学模拟。
- Molecular dynamics study MgSiO3 perovskite under high pressure[J]. 引用该论文 陈志雄;刘子江;祁建宏;刘永刚;郭媛.
- The thermostable mechanism of wildtype TC23O protein is studied by explicit solvent molecular dynamics simulation method and electrostatic energy calculation. 利用分子动力学模拟和静电分析的方法研究了蛋白质TC23O的热稳定机制。
- 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.
- 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。
- Adatom diffusion mechanisms on metal fcc(100) surfaces is studied by a systematic static calculation and molecular dynamics based on a series of embedded atom method(EAM) potentials. 通过静态计算和分子动力学方法 ,系统地研究了吸附原子在金属fcc( 10 0 )表面的自扩散现象 ,所采用的模型势是一系列由原子嵌入方法 (EAM )得到的。
- The calculation result of the solubility parameters of 17 organic solvents including polar, non-polar and H - bonding ones from molecular dynamics simulation was reported in this paper. 报道了利用分子动力学模拟手段对17种极性、非极性和氢键有机溶剂的溶解度参数进行计算的结果,并和实验值进行了对比。
- All the dynamics calculation and digital simulation are implemented in C computer language on the APOLLO CAD workstation. 本文的动力学计算和数字仿真均在APOLLO CAD工作站上用C语言实现。
- Keywords: molecular dynamic; polycarbonate; amorphous structure. 关键词:动态分子模拟、聚碳酸酯、非晶质结构。
- Then after a fluid dynamics calculation,a feasible solution was adapted to the concerned points,and thus the cavitation erosion speed was reduced. 又经过流体力学计算,找出了切实可行的改造方案并进行了实施,减缓了模板汽蚀速度。
- GROMOS is a general-purpose molecular dynamics computer simulation package for the stud. 通用分子动力学软件包。
- The molecular dynamics simulation method has been used to study the relation between the melting temperature and the cohesive energy of Pb nanofilms. 摘要本文利用分子动力学方法研究了铅纳米薄膜的熔化温度与结合能的关系。
- The diffusion mechanisms of Gd adatom on Cu(110) surface are investigated by means of molecular dynamics. 为了分析Gd吸附原子在Cu( 110 )表面的扩散机理 ;用分子动力学对该扩散过程进行模拟 .
- The structure of quenched glass from molten BaB 2O 4 has been studied by molecular dynamics simulation. 采用分子动力学模拟方法研究了熔融BaB2O4急冷玻璃结构。
- Nonequilibrium molecular dynamics simulation method is used to calculate the thermal conductivity of Si nanowires. 摘要采用非平衡态分子动力学方法模拟了硅纳米线的热传导性能,并对其主要影响因素作了分析。
- A new method for the dynamic calculation of the main drive system of the bloomingmill has been provided. 这为轧钢机主传动动态计算提供了一种新的方法。
- In the third part, the C28-nanotube oscillator has been simulated by tight-binding molecular dynamics (TBMD) method. 第三部分采用紧束缚分子动力学方法,对C28分子和单壁碳纳米管组成的振荡器进行计算。
- In order to get more reliable results, equilibrium molecular dynamics (EMD) method was applied. 为了得到较为准确的模拟结果,采用了平衡态分子动力学模拟的方法。