Effects of Cr, Mn on the cohesion of the γ-iron grain boundary
Acta Materialia(2001)
摘要
The effect of alloying elements Cr and Mn on the cohesion of the γ-iron Σ11[110]/(113) grain boundary (GB) is investigated based on the thermodynamic model of Rice–Wang by using the first-principles density functional theory. The electronic properties are studied for Cr/Fe and Mn/Fe systems. In these systems, the chemical effect of Cr and Mn is in favor of enhancing the cohesion of the grain boundary due to the anisotropic bonding which weakens the bonds in the grain boundary plane, but strengthens those in planes perpendicular to the grain boundary. However, the structural relaxation effect is detrimental to the cohesion of the grain boundary. After synthesizing these two effects, Cr can act as a cohesion enhancer and Mn is an embrittler.
更多查看译文
关键词
Computer simulation,γ-iron,Grain boundaries,Segregation
AI 理解论文
溯源树
样例
![](https://originalfileserver.aminer.cn/sys/aminer/pubs/mrt_preview.jpeg)
生成溯源树,研究论文发展脉络
Chat Paper
正在生成论文摘要