[P] 3.組織

[P20] Development of systematic interface structure determination algorithm and investigating the atomic structures of Si asymmetric tilt grain boundaries

*Xie Yaoshu^1,2, Shibata Kiyou^1,2, Mizoguchi Teruyasu^1,2 (1. Institute of Industrial Science, the Univ. of Tokyo, 2. School of Engineering, the Univ. of Tokyo)

Keywords:Silicon Grain boundaries、Atomic structure、Molecular dynamics、Computational materials

This work applied an algorithm and studied 104 Si <110> tilt GBs with various misorientations and grain boundary plane orientations to make a better understanding of asymmetric grain boundaries of Si.