Modified analytic EAM potentials for the binary immiscible alloy systems

作者：Fang, F^*; Shu, XL; Deng, HQ; Hu, WY; Zhu, M

来源：Materials Science and Engineering A-Structural Materials Properties Microstructure and Processing, 2003, 355(1-2): 357-367.

DOI：10.1016/S0921-5093(03)00102-3

• modified analytic EAM potentials
• binary immiscible alloy systems
• mechanical alloying

Modified analytic embedded atom method (MAEAM) type potentials have been constructed for seven binary immiscible alloy systems: Al-Pb, Ag-Ni, Fe-Cu, Ag-Cu, Cu-Ta, Cu-W and Cu-Co. The potentials are fitted to the lattice constant, cohesive energy, unrelaxed monovacancy formation energy and elastic constants for only pure metals which consist the immiscible alloy systems. In order to test the reliability of the constructed MAEAM potentials, formation enthalpies of disordered alloys for those seven binary immiscible alloy systems have been calculated. The calculated results are in general agreement with the experimental data available and those theoretical results calculated by other authors. As only very limited experimental information is available for alloy properties in immiscible alloy systems, the MAEAM is demonstrated to be a reasonable method to construct the interatomic potentials for immiscible alloy systems because only the properties of pure elements are needed in calculation.

• 出版日期2003-8-25
• 单位钢铁研究总院; 上海交通大学; 华南理工大学; 湖南大学