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Kinetic Monte Carlo annealing simulation of cascade damage in $$alpha$$-Fe

Suzudo, Tomoaki; Golubov, S.*; Stoller, R.*; Yamaguchi, Masatake; Tsuru, Tomohito; Kaburaki, Hideo

Molecular dynamics is a useful tool to analyze cascade damage in structural materials of nuclear devices, but the time scale accessible to molecular dynamics is 100 ps. Kinetic Monte Carlo annealing simulation of cascade damage is useful for analyzing the longer time development of cascade damage. We conducted a series of such annealing simulations in $$alpha$$-Fe. The surviving displacement ratio to the NRT displacements before annealing is 0.3 in the case of primary knock-on atom's energy more than 10 keV, but it decreased by 30 % through the annealing at 300 K because of recombination of vacancies and self-interstitial atoms, and the recombination ratio increased as the annealing temperature increased. These results are meaningful when applied to the simulation of accumulation of cascades using rate theory. This work is useful for R&D of nuclear materials.



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