[2G19-22] Reactor Pressure Vessel Steel 2

5:50 PM - 6:05 PM JST(8:50 AM - 9:05 AM UTC)

[2G20] Modeling of Light Water Reactor Pressure Vessel Steel Based on First-Principles Calculations

*Baopu WANG¹, Kota SUEYOSHI¹, Liangfan ZHU¹, Yuting CHEN¹, Kazunori MORISHITA¹, Kenichi FUKUMOTO², Hirotomo IWAKIRI³ (1. Kyoto Univ., 2. Univ. of Fukui, 3. Univ. of Ryukyus)

Keywords:

Light water reactor pressure vessel steel,Irradiation damage,First-principles calculations

Light water reactor (LWR) pressure vessel steel is required to maintain high integrity over long-term operation. In particular, it is important to understand the mechanisms by which irradiation-induced microstructural changes may affect the material properties. Fe-Mn-Ni-Si-based alloys have attracted attention due to their structural stability under irradiation, and their irradiation damage behavior is expected to be investigated using molecular dynamics simulations. To achieve this, it is essential to construct a simulation model that can accurately describe interatomic interactions. In this study, first-principles calculations were employed to compute parameters such as the interatomic potential energies of Fe-Mn-Ni-Si-based alloys, in order to construct a simulation model for LWR pressure vessel steel.