Molecular dynamics simulation of self-diffusion coefficients for liquid metals

巨圆圆; 张庆明; 龚自正; 姬广富

首页> 中文期刊> 《中国物理：英文版》 >Molecular dynamics simulation of self-diffusion coefficients for liquid metals

Molecular dynamics simulation of self-diffusion coefficients for liquid metals

开具论文收录证明 >>

期刊封面封底目录下载 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

The temperature-dependent coefficients of self-diffusion for liquid metals are simulated by molecular dynamics methods based on the embedded-atom-method (EAM) potential function. The simulated results show that a good inverse linear relation exists between the natural logarithm of self-diffusion coefficients and temperature, though the results in the literature vary somewhat, due to the employment of different potential functions. The estimated activation energy of liquid metals obtained by fitting the Arrhenius formula is close to the experimental data. The temperature-dependent shear-viscosities obtained from the Stokes-Einstein relation in conjunction with the results of molecular dynamics simulation are generally consistent with other values in the literature.

著录项

来源
《中国物理：英文版》 |2013年第8期|365-368|共4页
作者
巨圆圆; 张庆明; 龚自正; 姬广富;
展开▼
作者单位

State Key Laboratory of Explosion Science and Technology;

Beijing Institute of Technology;

National Key Laboratory of Science and Technology on Reliability and Environment Engineering;

Beijing Institute of Spacecraft Environment Engineering;

Laboratory for Shock Wave and Detonation Physics Research;

Institute of Fluid Physics;

China Academy of Engineering Physics;

展开▼
原文格式 PDF
正文语种 chi
中图分类分子物理学;
关键词
分子动力学模拟; 自扩散系数; 液态金属; Arrhenius; 消耗臭氧层物质; 分子动力学方法; 温度变化; 爱因斯坦关系;

相似文献

中文文献
外文文献
专利

Molecular dynamics simulation of self-diffusion coefficients for liquid metals

摘要

著录项

相似文献

相关主题

期刊订阅