Ab initio molecular dynamics simulation on temperature-dependent properties of Al-Si liquid alloy

被引：27
|
作者：
Ji, M [1 ]
Gong, XG
机构：
[1] Fudan Univ, Surface Phys Lab, Shanghai 200433, Peoples R China
[2] Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China
来源：
JOURNAL OF PHYSICS-CONDENSED MATTER | 2004年 / 16卷 / 15期
关键词：
D O I：
10.1088/0953-8984/16/15/004
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
We have carried out ab initio molecular dynamics simulations on Al-15% Si liquid alloy at different temperatures. The temperature dependences of energy, volume, diffusion coefficient and structure factor have been studied. The theoretical structure factors are in agreement with the experimental data. The obtained results suggest that the structure properties near 1100 K have different behaviour from that at higher temperature.
引用
收藏
页码：2507 / 2514
页数：8
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