Radiation resistance of (Ni,Fe)Cr2O4 spinels by molecular dynamics simulations

Molecular dynamics simulations are carried out to study primary radiation damage in NiCr2O4 and FeCr2O4 spinels, which are part of the corrosion layer of the vapour generators used in nuclear reactors. The radiation resistance of both spinels is evaluated by studying point defect recombination processes, threshold displacement energies, and 20 keV displacement cascades initiated with different PKA masses. Results are mainly in agreement with previous studies involving MgAl2O4 showing that radiation facilitates the transition to inverse spinel structure or NaCl structure. However, we find some differences between the two studied spinels indicating that NiCr2O4 is more sensitive to radiation.