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...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2024-11-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-024-01445-w |