| 分子动力学模拟固态Al的自扩散性质 |
| |
| 引用本文： | 张春光,王号,张美霞,马凤才.分子动力学模拟固态Al的自扩散性质[J].辽宁大学学报(自然科学版),2005,32(2):111-114. |
| |
| 作者姓名： | 张春光 王号 张美霞 马凤才 |
| |
| 作者单位： | 辽宁大学,物理系,辽宁,沈阳,110036;辽宁大学,物理系,辽宁,沈阳,110036;辽宁大学,物理系,辽宁,沈阳,110036;辽宁大学,物理系,辽宁,沈阳,110036 |
| |
| 摘 要： | 采用EAM势，用分子动力学模拟方法研究了固态Al的自扩散，用2种方法给出了Al在固态下较长的温度区域内的自扩散系数以及自扩散系数随温度的变化规律，并从微观机制上进行了分析和解释，结果较好地符合Arrhenius关系。
|
| 关 键 词： | 分子动力学模拟 自扩散系数 均方位移函数 速度自相关函数 |
| 文章编号： | 1000-5846(2005)02-0111-04 |
Study of Solid Aluminium Self-diffusion by Molecular Dynamics Simulation |
| |
| ZHANG Chun-guang,WANG Hao,ZHANG Mei-xia,MA Feng-Cai.Study of Solid Aluminium Self-diffusion by Molecular Dynamics Simulation[J].Journal of Liaoning University(Natural Sciences Edition),2005,32(2):111-114. |
| |
| Authors: | ZHANG Chun-guang WANG Hao ZHANG Mei-xia MA Feng-Cai |
| |
| Abstract: | Self-diffusion of solid aluminium is investigated by molecular dynamics simulation with EAM potential.With two different methods,we have obtained self-diffusstion coefficients of solid aluminium in very long temperature range.The self-diffusion coefficients from this two methods are agree with each other very well.Furthermore, we know the rule of self-diffusion coefficients versus temperature and analyze it from microcosmic mechanism.The dependence of the self-diffusion coefficients is in good agreement with Arrhenius equation. |
| |
| Keywords: | molecular dynamics simulation self-diffusion coeffience mean square displacement velocity auto-correlate function |
| 本文献已被 CNKI 维普 万方数据 等数据库收录！ |
|
