Atomistic analysis of the mechanisms underlying irradiation-hardening in Fe–Ni–Cr alloys

This work presents a comprehensive examination of the physical mechanisms driving hardening in irradiated face-centered cubic FeNiCr alloys. The evolution of irradiation-induced defects during shear deformation is modeled by atomistic simulations through overlapping cascade simulations, where the nucleation and evolution of dislocation loops is validated by transmission electron microscopy images obtained from irradiated FeNiCr alloys using tandem accelerator. The effect of different shear rates on the microstructure of irradiated materials with a specific focus on the changes in the density of voids and dislocation loops induced by irradiation was analyzed. Additionally, the fundamental interaction processes between single irradiation-induced defects contributing to irradiation hardening, such as voids and dislocation loops in the alloy are explained. The analysis at atomic level indicates that both the dislocation loops and the voids exhibit strengthening effects . Furthermore, the nanometric voids are much stronger obstacles than dislocation loops of comparable size. The mechanism of cutting the voids leads to an increase of voids density and thus contributes to an increase in irradiation hardening. The mechanism of collapse of small voids into dislocation loops leads to decrease of voids density and at the same time increase of loops density. The coupling effect between the density of voids and dislocation loops is determined. Finally, the novel, physical mechanisms-based model of irradiation hardening and dislocation-radiation defect reaction kinetics are developed, which consider the mechanisms of void cutting, void shrink and void collapse to dislocation loop.