The kinetics of phase transformation under irradiation of magnesium aluminate spinel MgAl2O4 was investigated by means of continuous Frenkel pair introduction in the framework of empirical potential molecular dynamics simulations. Phase transformation to defective rock-salt structure was observed with a cation displacement dose rate of 5 x 108dpc/s (dpc: displacements per cation) at temperatures ranging from 30 to 2200K. The critical dose for the phase transformation was in the range of 0.5 to 2.5dpc, and it was prolonged with increasing temperature. No amorphization was realized in the simulations at 30K up to a dose of 68dpc with an accelerated displacement dose rate of 5 x 109dpc/s.

Molecular Dynamics Simulation of Point Defect Accumulation in MgAl2O4. T.Yamamoto, A.Chartier, K.Yasuda, C.Meis, K.Shiiyama, S.Matsumura: Nuclear Instruments and Methods in Physics Research B, 2008, 266[12-13], 2676-82