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Design of refractory compositionally complex alloys with optimal mechanical properties

A. Ferrari, Y. Lysogorskiy, R. Drautz

Physical Review Materials, 5, 063606, (2021)

DOI: 10.1103/PhysRevMaterials.5.063606

Download: BibTEX

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.

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{"type":"article", "name":"a.ferrari20216", "author":"A. Ferrari and Y. Lysogorskiy and R. Drautz", "title":"Design of refractory compositionally complex alloys with optimal mechanical properties", "journal":"Physical Review Materials", "volume":"5", "OPTnumber":"6", "OPTmonth":"6", "year":"2021", "OPTpages":"063606", "OPTnote":"", "OPTkey":"", "DOI":"10.1103/PhysRevMaterials.5.063606"}
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