The miscibility of copper halides using a three-body potential. Part II. CuBrxI1-x crystal

被引：0

作者：

W. Sekkal

A. Laref

H. Aourag

A. Zaoui

M. Certier

机构：

[1] University of Sidi,Computational Materials Science Laboratory, Physics Department

[2] L.P.L.I,undefined

来源：

Journal of Materials Science: Materials in Electronics | 2000年 / 11卷

关键词：

Copper; Solid Solution; Molecular Dynamic; Molecular Dynamic Simulation; Thermodynamic Property;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

Mixed CuBrxI1-x crystals are studied for x = 0.25, 0.5 and 0.75 using simulation methods based on a three-body potential. Monte Carlo calculations show that these crystals are solid solutions and are in good agreement with experimental results. Structural and thermodynamic properties are also investigated using molecular dynamics simulations.

引用

页码：123 / 129

页数：6