Molecular statics calculation of the formation enthalpy for ternary metal systems based on the long-range empirical interatomic potentials

作者：Dai X D; Li J H; Liu B X^*

来源：Applied Physics Letters, 2007, 90(13): 131904.

DOI：10.1063/1.2716361

A scheme is proposed in the present study to predict the formation enthalpy of the ternary metal system. Based on the long-range empirical potential model, the interatomic potentials are first constructed for the Cu-Ag-Au, Cu-Ag-Ni, Ag-Au-Ni, and Cu-Au-Ni systems, and then molecular statics calculations are performed to predict the formation enthalpies of the four systems. It is found that the predicted results by the present scheme match well with those obtained by experiments or ab initio calculations, exhibiting a more precise feature than Miedema's model.

• 出版日期2007-3-26
• 单位清华大学