Thermodynamic Calculation Study on Solid Solutions' Stabilities of Au-Pd-M (M=Mo, Y, Zr)

摘要

According to the first-principle based on density functional theory, the stability of the solid solutions of Au-Pd-M (M=Mo, Y, Zr) alloy systems were calculated. The results show that, adding the same percentage content, 1% Mo doped in Au-Pd solid solution is the most stable phase structure. When doped with Y and Zr, they are likely to react with Au-Pd to form the corresponding intermetallic compounds.