Influence of temperature and alloying elements on the threshold displacement energies in concentrated Ni-Fe-Cr alloys

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Original languageEnglish
Article number056111
Journal / PublicationChinese Physics B
Issue number5
Publication statusPublished - May 2021


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 (Ed). In this work, we report the results of Ed 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 Ed 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 Ed 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 Ed values in concentrated alloys. Finally, we discuss the relationship between the primary damage and Ed values in different alloys. Overall, this work presents a thorough study on the Ed values in concentrated alloys, including the influence of empirical potentials, their angular dependence, temperature dependence, and effects on primary defect production.

Research Area(s)

  • Concentrated high-entropy alloys, Irradiation effects, Molecular dynamics, Threshold displacement energies