Ce,Th和Yb构成的二元合金稀溶解热的EAM计算  

The dilute-limit heats of solution of binary alloys composed of Ce,Th and Yb calculated with EAM

作　　者：欧阳义芳[1] 师宏伟[1] 钟夏平[1] 

机构地区：[1]广西大学物理科学与工程技术学院,广西南宁530004

出　　处：《广西大学学报（自然科学版）》2006年第1期32-35,共4页Journal of Guangxi University（Natural Science Edition）

基　　金：国家自然科学基金资助项目(50261001)

摘　　要：通过拟合纯元素的晶格常数、空位形成能、结合能和体积弹性模量等物理量,确定了铈、钍和镱三个元素的嵌入原子参数.利用Johnson的合金势形式来描述不同元素之间的相互作用,首次计算了由C e,T h和Y b三个元素构成的六种二元合金的的稀溶解热,为进一步研究稀土合金相图和开发新的稀土材料提供了理论依据.The parameters of embedded atom method for elements Ce, Th and Yb have been determined by fitting the lattice constants,the monovacancy formation energy,the cohesive energy and the bulk elastic modulus. The alloy potential has been taken as the form of Johnson＇s. The dilute-limlt heats of solution of Th-Ce,Ce-Th,Th-Yb,Yb-Th,Ce-Yb and Yb-Ce binary alloy systems have been calculated with the present embedded atom potentials firstly. The results calculated with the present model will play an important role in studying phase diagram of alloys and developing new rare earth materials.

关 键 词：嵌入原子方法 二元合金 稀溶解热 

分 类 号：TG146.4[一般工业技术—材料科学与工程]