The 9th International Conference on Multiscale Materials Modeling

講演情報

Poster Session

B. Challenges in the Multiscale Modelling of Radiation Effects in Nuclear Materials

[PO-B2] Poster Session 2

Symposium B

2018年10月31日(水) 17:45 〜 20:00 Poster Hall

[P2-16] Microstructure evolution of cascade annealing in irradiated pure α-Zr from molecular dynamics simulations

Bang Wen1, Rongjian Pan1, Wei Zhang1, Lu Wu1, Xiaoyong Wu1, Aitao Tang2, Wen He1, Y.R. Ovcharenko3, D.O. Kharchenko3 (1.The First Sub-Institute, Nuclear Power Institute of China, China, 2.College of Materials Science and Engineering, Chongqing University, China, 3.Institute of Applied Physics, National Academy of Science of Ukraine, Ukraine)

The microstructure evolution of cascade annealing in α-Zr crystals at T=300K, 400K, and 500 K for energy of 2, 6 and 10 keV with initially driving directions <0001> and <01-10> of primary knocked atoms (PKA) are investigated by using molecular dynamics simulations. The results show that the relaxation time (τr) of cascades can play a role of an effective parameter for describing radiation damages during molecular dynamics simulations. of cascade with the larger surface area but with the same volume is much smaller, which promotes faster recombination of defects during cascade annealing. Energy is a crucial factor in the formation of cascade displacements of atoms and appearing of defects compared with temperature and direction of movement for initially knocking atoms.