Abstract
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 language | English |
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Article number | 063606 |
Number of pages | 7 |
Journal | Physical Review Materials |
Volume | 5 |
Issue number | 6 |
DOIs | |
Publication status | Published - 2021 |