Molecular dynamics simulation of irradiation damage accumulation in α-Fe and model alloy FeMn_1.4Ni_0.7

Abstract The neutron irradiation of RPV steel leads to the generation of defects and further degrades the mechanical properties. MD simulation was used to study the accumulated damage of α-Fe and model alloy FeMn 1.4 Ni 0.7 at room temperature. Two methods of introducing PKA, i.e., concentrated irradiation and uniform irradiation, were performed. The simulation results showed that concentrated irradiation is beneficial for the clustering of vacancies and the formation of vacancy DLs <100>. All the types of interstitial DLs are 1/2 < 111 >, and all the types of vacancy DLs are < 100 >. The addition of Mn and Ni restrained the clustering of interstitials under uniform irradiation conditions.