[2C16-21] Nuclear Materials

[2C20] Modeling of SiC materials for nuclear energy based on first principles calculations

*Baopu WANG¹, Liangfan Zhu¹, Yuting Chen¹, Hirotomo Iwakiri², Kazunori Morishita¹ (1. Kyoto Univ., 2. Ryukyus Univ.)

Keywords:SiC material, Irradiation damage, First principle calculation, Material modeling

Due to its excellent properties in many respects, SiC material is anticipated for application in nuclear fission and fusion reactors. Irradiation may change the microstructure of SiC, and consequently affect its performance. Molecular dynamics simulations can elucidate the behavior of material irradiation damage. Therefore, this research utilized first-principles calculations to compute parameters such as the interatomic potential energy of SiC, contributing to the construction of the simulation model.