Design of refractory compositionally complex alloys with optimal mechanical properties

Ferrari, A. and Lysogorskiy, Y. and Drautz, R.

Volume: 5 Pages:
DOI: 10.1103/PhysRevMaterials.5.063606
Published: 2021

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. © 2021 American Physical Society.

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