[15a-A205-1~10] 23.1 Joint Session N "Informatics"

[15a-A205-10] Informatics-Aided Investigation of Carbon Segregation Sites in Silicon Grain Boundaries

〇Yusuke Noda¹, Tatsuya Yokoi¹, Atsutomo Nakamura¹, Katsuyuki Matsunaga^1,2 (1.Nagoya Univ., 2.JFCC)

Keywords:grain boundary, machine learning, combinatorial optimization

In this study, we discovered energetically favourable carbon sites in silicon grain boundaries using a genetic algorithm combined with artificial neural-network interatomic potentials.