Thermodynamic calculation study on phase structures of Pt-Ir-M(Y, Zr, Mo)

2nd International Conference on New Material and Chemical Industry

材料科学;化学工业

Wang, S.B.^1,2,3 ; Sun, Y.^1 ; Chen, J.L.^2,3 ; Wang, S.^2 ; Peng, M.J.^1 ; Chen, S.^2,3 ; Liu, M.M.^2 ; Hu, J.Q.^2 ; Chen, Y.T.^2 ; Zhang, J.M.^2 ; Yang, Y.C.^2 ; Xie, M.^1,2,3

School of Material Science and Engineering, Kunming University of Science and Technology, Wenchang Road 68, Kunming, China^1

State Key Laboratory of Advanced Technologies for Comprehensive Utilization of Platinum Metals, Sino-platinum Metals Co. Ltd., Keji Road 988, Kunming, China^2

Kunming Institute of Precious Metals, Keji Road 988, Kunming, China^3

关键词: Alloy system;    First principles;    Plane wave methods;    Pseudopotentials;    Thermodynamic calculations;   

Others  :  https://iopscience.iop.org/article/10.1088/1757-899X/292/1/012054/pdf
DOI  :  10.1088/1757-899X/292/1/012054

学科分类：材料科学（综合）

来源: IOP

【 摘 要 】

The energy and electronic structure of the solid solutions of Pt-Ir-M (M=Mo,Y,Zr) alloy systems were investigated using the first-principle pseudo-potential plane-wave method. 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.