[G] 計算材料科学 (2)

[283] First-principles Study on Carbon segregation in α-Fe<110>Symmetrical Tilt Grain Boundary

*PHAM DUNG　THI¹、NGUYEN TIEN　QUANG¹、TERAI TOMOYUKI¹、SUGIYAMA MASAAKI¹、SATO KAZUNORI¹ (1. Osaka University)

キーワード：Symmetrical tilt grain boundary、First-principles、BCC Iron

The stability of α-Fe<110> symmetrical tilt grain boundaries was systematically investigated based on first-principles calculations. The segregation of C was analysed by a new interatomic potential.