【作者】 欧阳义芳； 陶小马； 刘彦平； 钟夏平；

【Author】 Yifang Ouyang Xiaoma Tao, Yanping Liu, Xiaping Zhong Department of Physics, Guangxi University, Nanning 530004, P R China, International Center of Materials Physics, Academia Sinica, Shenyang 110016 P R China

【机构】 广西大学物理科学与工程技术学院；

【摘要】 采用作者最近提出的普适分析型嵌入原子模型,得到了Al、Ce和Yb的嵌入原子模型参数,用该模型参数计算了元素Al、Ce和Yb的单空位形成能,双空位结合能,弹性常数,结构稳定性,在(100)、 (110)、(111)面上的表面能,二元合金的稀熔解热以及两种元素形成无序合金时的形成焓,计算结果和实验结果基本相符合。更多还原

【Abstract】 The embedded-atom method parameters of Al、 Ce and Yb have been obtained by using the general analytic embedded-atom potentials, which has been developed by authors recently. The model is applied to calculating mono-vacancy formation energy, di-vacancy binding energy, elastic constants, the stability of structure and the surface energy of them, the dilute-solution energy for binary alloys and the enthalpy of formation of Al-Ce、 Al-Yb and Ce-Yb binary alloys. The calculated results are in reasonable agreement with the experiments results available.更多还原