Design of refractory compositionally complex alloys with optimal mechanical properties

Alberto Ferrari*, Yury Lysogorskiy, Ralf Drautz

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

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We use an analytical model to propose candidate compositionally complex alloys of the Mo-Nb-Ta-W family with optimal yield stress. We then introduce a computationally tractable method based on first-principles calculations to model phase equilibria in complex alloys at arbitrary concentrations. We utilize this method to predict the phase diagram at the optimized compositions and observe a tendency towards ordering for some of the proposed alloys. By combining yield stress data and thermodynamic equilibria, we suggest two alloy compositions with optimal mechanical properties and a strong solid solution forming ability for further experimental validation.

Original languageEnglish
Article number063606
Number of pages7
JournalPhysical Review Materials
Issue number6
Publication statusPublished - 2021


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