Atomic simulation of mechanical properties of irradiated iron

Abstract

The mechanical properties of irradiated iron are studied by molecular dynamics simulation. The initial models are irradiated with the energy of primary knocked-on atoms (PKA) of 10[Formula: see text]keV at 100, 300, 500 and 600 K, and then all the irradiated models are subjected to tensile test. The results reveal that the mechanical properties of irradiated iron are changed compared with un-irradiated iron, the yield stress and strain decrease after irradiation, and the irradiation causes the hardening of micro-structure at low temperature and high temperature, but it results in the softening of structure at room temperature. The plastic reduces for irradiated iron under tensile test, more stacking faults are formed in the crystal structure as the temperature increases.