High-entropy alloys (HEAs), characterized by complex multielement compositions, offer broad opportunities to tune mechanical, corrosion, thermal, wetting, and functional properties, while their vast configurational space makes molecular modelling essential. This review evaluates progress across computational thermody...
M. Pellegrino, Mokhtar Ganjali Koli, Fabiano Tarulli et al.· npj Computational Materials· 0 citations
High-entropy alloys (HEAs) possess exceptional mechanical properties and thermal stability, yet their vast compositional space and complex atomic arrangements present significant challenges for property prediction and design. To overcome this, we have trained a machine-learned interatomic potential (MLIP) for the AlTiC...
Joseph E. Arnold, C. D. Woodgate, Roohollah Hafizi et al.· PHYSICAL REVIEW MATERIALS· 1 citation
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