Molecular dynamics simulations of primary cascade damage in FeCoCrNiCu high-entropy alloys

Molecular dynamics simulations have been performed to study the generation and evolution of the primary cascade damage in a series of alloys containing one or several metallic elements, in order to clarify the high-entropy effect on the anti-irradiation performance. Combining the results of defect pairs, evolution of defect clusters, and recombination rate, it can be found that the anti-irradiation performance enhances gradually as the element complication of the alloy systems. Compared to other simple alloys, the FeCoCrNiCu high-entropy alloys possess the highest recombination rate, which can be attributed to the long thermal peak life. The research results provide a microscopic theoretical explanation for the anti-irradiation mechanism of high-entropy alloys.