The 9th International Conference on Multiscale Materials Modeling

Presentation information

Poster Session

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

[PO-B2] Poster Session 2

Symposium B

Wed. Oct 31, 2018 5:45 PM - 8:00 PM Poster Hall

[P2-15] Production and Process of Cascade Development in Irradiated Pure α-Zr from Molecular Dynamics Simulations

Rongjian Pan1, Lu Wu1, Xiaoyong Wu1, Aitao Tang2, Bang Wen1, 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 formation and development of cascade in pure α-Zr crystals at sample temperatures T=300K and T=500K, energy of 2, 6 and 10 keV and initially driving directions and of primary knock atoms (PKA) are investigated by molecular dynamics. The simulation results show that when crystals temperature is T=300K and 500K and initial direction of motion for PKA is the cascades volume is greater than for the initial direction at same all other parameters. The largest size of cascade is found after 0.4 ps, which regardless of crystal temperature, energy and initial direction of primary knock-on atom (PKA). The formation of crowdions is caused by channeling during cascade development.