[G] Computational Materials Science (2)

[282] Grain boundary phase transition in diamond-structured materials by structural reconstruction

*Yaoshu XIE¹, Kiyou SHIBATA¹, Teruyasu MIZOGUCHI¹ (1. Inst. of Industrial Science, The University of Tokyo)

Keywords:Grain boundary、Diamond-structured materials、Molecular dynamics、Phase transition、Structural reconstruction

This work investigated the phase transition by structural reconstruction in diamond-structured materials of silicon and gemerinum for a well known <110> ∑9 (2, -2, -1) symmetrical tilt GB.