Dynamical simulations of displacement cascades near symmetrical tilt grain boundaries in UO2

XF Tian and T Gao and HX Xiao and CH Lu, INDIAN JOURNAL OF PHYSICS, 88, 137-143 (2014).

DOI: 10.1007/s12648-013-0400-7

Collision cascades near symmetrical tilt grain boundaries in UO2 have been investigated at energy of 5 keV. Primary knock-on atom with a distance of 3.5 nm from grain boundaries has been accelerated towards and perpendicular to the interface. Evolvement of the cascade is tracked employing classical molecular dynamics. Time evolution of the number of displaced atoms, Frenkel pairs and replacement atoms created by cascade is given. Simulations suggest that misorientation angle of the grain boundary has no effect on the final number of displaced atoms and replacement atoms. Additionally, final spatial distribution of displaced atoms at the end of the simulations has been investigated.

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