[1G15-19] Numerical Analysis on Damage of Structure and Defect in Materials

[1G18] MD simulations to evaluate stable configurations of vacancy-type defect clusters in Zirconium

*Yilun Hu¹, Kohei Doihara¹, Sho Hayakawa¹, Taira Okita², Mitsuhiro Itakura³ (1. Department of Systems Innovation, the University of Tokyo, 2. Research into Artifacts, Center for Engineering, the University of Tokyo, 3. JAEA-CCSE)

Keywords:Molecular dynamics simulations, Fuel claddings, irradiation degradation

MD simulations have been conducted to compare the formation energies between vacancy clusters existing on the basal plane and c-type dislocation loop. We found that the latter is more stable even for a smaller size.