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Entropy 2016, 18(8), 403; doi:10.3390/e18080403

Interplay between Lattice Distortions, Vibrations and Phase Stability in NbMoTaW High Entropy Alloys

Department of Materials Science and Engineering, Delft University of Technology, Mekelweg 2, 2628 CD Delft, The Netherlands
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Author to whom correspondence should be addressed.
Academic Editor: An-Chou Yeh
Received: 26 July 2016 / Revised: 17 August 2016 / Accepted: 18 August 2016 / Published: 20 August 2016
(This article belongs to the Special Issue High-Entropy Alloys and High-Entropy-Related Materials)
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Abstract

Refractory high entropy alloys (HEA), such as BCC NbMoTaW, represent a promising materials class for next-generation high-temperature applications, due to their extraordinary mechanical properties. A characteristic feature of HEAs is the formation of single-phase solid solutions. For BCC NbMoTaW, recent computational studies revealed, however, a B2(Mo,W;Nb,Ta)-ordering at ambient temperature. This ordering could impact many materials properties, such as thermodynamic, mechanical, or diffusion properties, and hence be of relevance for practical applications. In this work, we theoretically address how the B2-ordering impacts thermodynamic properties of BCC NbMoTaW and how the predicted ordering temperature itself is affected by vibrations, electronic excitations, lattice distortions, and relaxation energies. View Full-Text
Keywords: high entropy alloy; ordering; lattice distortions; vibrations; density functional theory high entropy alloy; ordering; lattice distortions; vibrations; density functional theory
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Körmann, F.; Sluiter, M.H. Interplay between Lattice Distortions, Vibrations and Phase Stability in NbMoTaW High Entropy Alloys. Entropy 2016, 18, 403.

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