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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 ,并将计算的热力学性质与实验结果或第一性原理计算结果进行了比较
The heat of solution, formation enthalpy, surface energy and surface aggregation energy of the PdAu binary alloy system were calculated by a modified analytic embedded atom method and the calculated thermodynamic properties were compared with the experimental or first-principles calculations