›› 2014, Vol. 23 ›› Issue (10): 106107-106107.doi: 10.1088/1674-1056/23/10/106107
• CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES • 上一篇 下一篇
李志武, 孔祥山, 刘伟, 刘长松, 方前峰
Li Zhi-Wu (李志武), Kong Xiang-Shan (孔祥山), Liu-Wei (刘伟), Liu Chang-Song (刘长松), Fang Qian-Feng (方前峰)
摘要: We investigate the segregation behavior of alloying atoms (Sr, Th, In, Cd, Ag, Sc, Au, Zn, Cu, Mn, Cr, and Ti) near Σ3 (111) [110] tilt symmetric grain boundary (GB) in tungsten and their effects on the intergranular embrittlement by performing first-principles calculations. The calculated segregation energies suggest that Ag, Au, Cd, In, Sc, Sr, Th, and Ti prefer to occupy the site in the mirror plane of the GB, while Cu, Cr, Mn, and Zn intend to locate at the first layer nearby the GB core. The calculated strengthening energies predict Sr, Th, In, Cd, Ag, Sc, Au, Ti, and Zn act as embrittlers while Cu, Cr, and Mn act as cohesion enhancers. The correlation of the alloying atom's metal radius with strengthening energy is strong enough to predict the strengthening and embrittling behavior of alloying atoms; that is, the alloying atom with larger metal radius than W acts as an embrittler and the one with smaller metal radius acts as a cohesion enhancer.
中图分类号: (Alloys )