摘要
用修正的分析型嵌入原子方法计算了PdAu二元合金系的稀溶解热、形成焓、表面能和表面聚集能 。
An analytic modified embedded\|atom model is presented.Using the model,the thermodynamic data,such as the dilute\|limit heats of solution,formation enthalpies of disordered solid solutions,surface energies and surface segregation energies for Pd\|Au alloy,are calculated.The results are in agreement with the experimental data and calculated data using ab initio theory. [
出处
《计算物理》
CSCD
北大核心
2002年第5期431-434,共4页
Chinese Journal of Computational Physics
基金
教育部跨世纪优秀人才计划基金
教育部骨干教师资助计划资助项目
