Thermodynamic analysis of the Co-W system

被引：11

作者：

Wang, Peisheng ^{[1
]}

Kontsevoi, Oleg Y. ^{[1
,2
]}

Olson, Gregory B. ^{[1
,3
]}

机构：

[1] Northwestern Univ, Ctr Hierarch Mat Design CHiMaD, 2205 Tech Dr, Evanston, IL 60208 USA

[2] Northwestern Univ, Northwestern Argonne Inst Sci & Engn, 2205 Tech Dr, Evanston, IL 60208 USA

[3] Northwestern Univ, Dept Mat Sci & Engn, 2220 Campus Dr, Evanston, IL 60208 USA

来源：

JOURNAL OF MATERIALS SCIENCE | 2019年 / 54卷 / 14期

关键词：

PHASE; EXCHANGE;

D O I：

10.1007/s10853-019-03616-3

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Density functional theory (DFT) calculations including spin polarization were performed to obtain the energies for all end-member configurations of the mu phase, which were used to evaluate the Gibbs energies of the mu phase. The Co-W system was thermodynamically re-assessed in the present work. The present calculated phase diagram fits well with the experimental data. Applying the DFT results was essential for giving a better description of the mu phase.

引用

页码：10261 / 10269

页数：9

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