Effects of alloying elements concentrations and temperatures on the stacking fault energies of Co-based alloys by computational thermodynamic approach and first-principles calculations

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• 作者：Tria Laksana Achmad^a ; ^b ; Wenxiang Fu^a ; Hao Chen^a ; Chi Zhang^a ; Zhi-Gang Yang^a ; ^{zgyang@mail.tsinghua.edu.cn}
• 关键词：Stacking fault energy (SFE) ; Cobalt-based alloys ; Computational thermodynamic approach ; First-principles density-functional-theory (DFT) ; Quasi-harmonic approximation (QHA)
• 刊名：Journal of Alloys and Compounds
• 出版年：2017
• 出版时间：15 February 2017
• 年：2017
• 卷：694
• 期：Complete
• 页码：1265-1279
• 全文大小：4052 K
• 卷排序：694

文摘

Stacking fault energy (SFE) variations of Co-based alloys with different alloying elements and concentrations are studied. SFE increase with increasing temperature from theoretical and experimental measurements. Both thermodynamic and first-principles methods are capable of calculating the SFE with a highly accurate modeling. The critical role of the Suzuki effect and the key for the SFE variations are investigated.