Dislocation glide in Al0.3CoCrFeNi: Insights from molecular dynamics and statistical analysis

A Raj and J Brechtl and S Mubassira and PK Liaw and SZ Xu, MATERIALS LETTERS, 400, 139038 (2025).

DOI: 10.1016/j.matlet.2025.139038

Multi-principal element alloys (MPEAs) exhibit exceptional mechanical properties due to their unique chemical complexity. However, dislocation glide in MPEAs remains less understood than in pure metals and dilute alloys. In this study, we simulate dislocation glide in face-centered cubic Al0.3CoCrFeNi MPEA and pure Ni using molecular dynamics. Our results show that the critical resolved shear stresses (CRSS) for dislocation glide in the MPEA are much higher than those in Ni. The reduced screw-to-edge CRSS ratio in the MPEA indicates that both dislocation types play a significant role. Further, we employ a statistical method to analyze the stress-strain response, revealing that stress fluctuations in the MPEA exhibit correlated behavior, whereas those in Ni do not.

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