Effective interatomic pair potentials for liquid silver-tin alloys

被引:0
|
作者
Dalgic, S. Senturk [1 ]
Kes, H. [1 ]
机构
[1] Trakya Univ, Dept Phys, TR-22030 Edirne, Turkey
关键词
liquid Ag-Sn alloys; structure; pseudopotentials; effective potentials;
D O I
暂无
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The transferability of the local evanescent core (EC) pseudopotential to liquid AgSn binary alloys have been tested. The effective interatomic pair potentials derived from the evanescent core electron-ion potential which was constructed by Nogueira and co-workers have been calculated using the second order perturbation theory. The structural properties of liquid Ag-Sn alloys at different compositions of tin have obtained using the Variational Modified Hypernetted Chain (VMHNC) integral equation theory of liquids. The results for the partial structure factors and total structure factors near their melting have been compared with experimental data. The computed structural characteristics exhibit the correct trends with experiment. It has been shown the ability of the universal density dependent version of the EC potential to be used in the case of liquid Ag-Sn simple metals and metal alloys. The charge transferred between atoms have also been investigated.
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页码:566 / 566
页数:1
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