关键词: irradiation effects, molecular dynamics, threshold displacement energies, concentrated high-entropy alloys

Abstract: Concentrated solid-solution alloys (CSAs) have demonstrated promising irradiation resistance depending on their compositions. Under irradiation, various defects can be produced. One of the most important parameters characterizing the defect production and the resulting defect number is the threshold displacement energies (E_d). In this work, we report the results of E_d values in a series of Ni-Fe-Cr concentrated solid solution alloys through molecular dynamics (MD) simulations. Based on several different empirical potentials, we show that the differences in the E_d values and its angular dependence are mainly due to the stiffness of the potential in the intermediate regime. The influences of different alloying elements and temperatures on E_d values in different CSAs are further evaluated by calculating the defect production probabilities. Our results suggest a limited influence of alloying elements and temperature on E_d values in concentrated alloys. Finally, we discuss the relationship between the primary damage and E_d values in different alloys. Overall, this work presents a thorough study on the E_d values in concentrated alloys, including the influence of empirical potentials, their angular dependence, temperature dependence, and effects on primary defect production.

Key words: irradiation effects, molecular dynamics, threshold displacement energies, concentrated high-entropy alloys