Structure, short-range order, and phase stability of the Al x CrFeCoNi high-entropy alloy: insights from a perturbative, DFT-based analysis

Structure, short-range order, and phase stability of the Al x CrFeCoNi high-entropy alloy: insights from a perturbative, DFT-based analysis

Abstract We study the phase behaviour of the Al x CrFeCoNi high-entropy alloy. Our approach is based on a perturbative analysis of the internal energy of the paramagnetic solid solution as evaluated within the Korringa-Kohn-Rostoker formulation of density functional theory, using the coherent potent...

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Bibliographic Details
Main Authors: Christopher D. Woodgate, George A. Marchant, Livia B. Pártay, Julie B. Staunton
Format: Article
Language:English
Published: Nature Portfolio 2024-11-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-024-01445-w
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