[G] Computational Materials Science / Data Science I

[5] Interstitial nonmetallic solute segregation and their influence on the strength of Ti (10-12) twin boundary

*Sangjun Lee^1,2, Kiyou Shibata², Teruyasu Mizoguchi² (1. MSE, Yonsei Univ., Korea、2. IIS, UTokyo)

Keywords:Titanium、Twin boundary、Interstitial solute、Nonmetallic element、First principles calculations

We investigated the segregation behavior of interstitial nonmetallic solutes at tensile twin boundary and their impact of the strength using first principles calculations.