[G] Computational Materials Science (2)

[283] 0

*DUNG　THI PHAM¹, TIEN　QUANG NGUYEN¹, TOMOYUKI TERAI¹, MASAAKI SUGIYAMA¹, KAZUNORI SATO¹ (1. Osaka University)

Keywords: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.