[P] P42~P55

[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.