講演情報
[P43]Interaction between Carbon and Extended Defects in Fe Studied by First-Principles Based Interatomic Potential
*DUNG THI PHAM1, Quang Tien Quang Tien1, Tomoyuki Terai1, Masaaki Sugiyama1, Yoji Shibutani1, Kazunori Sato1 (1. Graduate school of engineering, Osaka university)
キーワード：
iron-carbon alloy、carbon segregation、dislocation、first-principles calculation、Tersoff/ZBL potential
The carbon segregation in edge dislocation is investigated by first-principle based interatomic potential and explained by considering Voronoi volume around C.