Formation Enthalpies of Ce-Th-Yb Calculated with EAM

作     者：师宏伟 欧阳义芳 钟夏平 

作者机构：College of Physics Science and Technology Guangxi University Nanning 530004 China 

出 版 物：《Journal of Rare Earths》 (稀土学报（英文版）)

年 卷 期：2005年第23卷第S1期

页      面：468-470页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 0703[理学-化学] 070301[理学-无机化学] 

基　　金：ProjectsupportedbytheNationalNaturalScienceFoundationofChina(50261001) 

主　　题：embedded atom method (EAM) binary alloys ternary alloys formation enthalpy Miedema′s theory 

摘      要：The parameters of embedded atom method for elements Ce, Th and Yb were determined by fitting the lattice constants, the cohesive energy, the monovacancy formation energy and the bulk modulus of elements. The alloy potential was taken as the form of Johnson′s. The formation enthalpies of Th-Ce, Th-Yb and Ce-Yb binary alloys systems and Ce-Th-Yb ternary alloy were calculated with the present embedded atom potentials. The calculations for binary alloys are in good agreement with the results calculated with Miedema′s theory. As for the ternary alloy, the calculated formation enthalpies are in good agreement with those extrapolated from the formation enthalpies of constitutive binary alloys by Toop′s model.