贵金属嵌入原子参数及贵金属二元合金稀溶解热的计算

稀有金属材料与工程, 2005, 34(11): 1694-1697.

贵金属嵌入原子参数及贵金属二元合金稀溶解热的计算

韦文楼 ^1, , 陈红梅 ^2, , 欧阳义芳 ^3, , 钟夏平 ^4,

1.广西大学,广西,南宁,530004

2.广西大学,广西,南宁,530004

3.广西大学,广西,南宁,530004;中国科学院国际材料物理中心,辽宁,沈阳,110015

4.广西大学,广西,南宁,530004

基金项目: 广西新世纪十百千人才工程基金(2000209) 中国科学院资助项目(50261001)

关键词：修正嵌入原子方法 , 贵金属二元合金 , 稀溶解热

The Parameters of Noble Metal and Calculations of Dilute Solution Heat for Noble Metal Binary Alloys

采用修正的嵌入原子模型(modified embedded atom method,(MEAM)),给出了Cu,Ag,Au,Ni,Pd,Pt,Rh,Ir等元素的所有嵌入原子参数,用所给参数计算了上述元素的单空位形成能、双空位结合能、结构能量差及由它们构成的二元合金的稀溶解热.计算的稀溶解热与实验结果及已有的理论计算结果进行了比较,现在的计算值与已有的实验结果和Miedema理论计算结果符合得比较好.

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贵金属嵌入原子参数及贵金属二元合金稀溶解热的计算

The Parameters of Noble Metal and Calculations of Dilute Solution Heat for Noble Metal Binary Alloys

参考文献