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

YZ He and WX Shi and C Han and K He and C Liu and Z Chen and P Zhang and CJ Chen and BL Shen, JOURNAL OF ALLOYS AND COMPOUNDS, 983, 173972 (2024).

DOI: 10.1016/j.jallcom.2024.173972

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 highentropy 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.

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