Segregation behavior and embrittling effect of lanthanide La, Ce, Pr, and Nd at Σ3(111) tilt symmetric grain boundary in α-Fe*

Project supported by the National Natural Science Foundation of China (Grant No. U1867217), the National Science and Technology Major Project of the Ministry of Science and Technology of China (Grant No. 2019ZX06004009), and the China National Nuclear Corporation Centralized Research and Development Project (Grant No. FY18000120).

Cao Jinli1, 2, Yang Wen1, He Xinfu1, †
       

The calculated strengthening energies of different Ln atoms located at different sites near Σ3(111)[11¯0 ] tilt GB in α-Fe. The yellow stars present the embrittlement energies of Ln atoms at their most stable sites.