[2H01-07] Microscopic and Reactor Analysis

[2H03] Behaviors of vacancy cluster in Zirconium by machine learning molecular dynamics

*Takao Baba¹, Satoshi Terayama², Taira Okita³, Mitsuhiro Itakura⁴, Masahiko Okumura⁴ (1. Faculty of Engineering, the University of Tokyo, 2. Department of Systems Innovation, School of Engineering, the University of Tokyo, 3. Research into Artifacts, Center for Engineering, School of Engineering, the University of Tokyo, 4. JAEA CCSE)

Keywords:first principle calculation, c-type dislocation loop, fuel cladding

第一原理計算結果を教師信号とする機械学習により純Zrの原子間ポテンシャルを作成し，これを用いて空孔集合体の挙動を解明した．