Presentation Information
[P20]Development of systematic interface structure determination algorithm and investigating the atomic structures of Si asymmetric tilt grain boundaries
*Xie Yaoshu1,2, Shibata Kiyou1,2, Mizoguchi Teruyasu1,2 (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.