Molecular dynamics simulation of primary radiation damage in Fe–Cr alloy

Abstract

The atomic displacement cascades generated by radiation in the iron-chromium alloy were studied using molecular dynamics simulation. Atomic displacement cascades were generated by the primary knock-on atom, which energy varied from 1 to 20 keV. The simulation of the dynamics of atomic displacement cascades and the calculation of the cascade parameters (durations of the main stages, the size of the radiation-damaged region) in the iron-chromium alloy were made for different energies of primary knock-on atom. Sizes of formed point defect clusters and their distribution in the crystallite volume were calculated. To study radiation damage in iron-chromium alloy caused by generation and evolution of displacement cascades we analyzed spatial and quantitative distribution of the generated point defects and their clusters.