Design of refractory multi-principal-element alloys for high-temperature applications
Date
2023-08-10
Authors
Singh, Prashant
Su, Ranran
Kramer, Matthew J.
Perepezko, John H.
Senkov, Oleg N.
Miracle, Daniel
Cui, Jun
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Springer Nature
Abstract
Refractory multi-principal-element alloys (RMPEAs) exhibit high specific strength at elevated temperatures (T). However, current RMPEAs lack a balance of room-temperature (RT) ductility, high-T strength, and high-T creep resistance. Using density-functional theory methods, we scanned composition space using four criteria: (1) formation energies for operational stability: 150 Ef ≤ +70 meV per atom; (2) higher strength found via interstitial electron density with Young’s moduli E > 250 GPa; (3) inverse Pugh ratio for ductility: G/B < 0.57; and (4) high melting points: Tm > 2500 °C. Using rapid bulk alloy synthesis and characterization, we validated theory and down-selected promising alloy compositions and discovered Mo72.3W12.8Ta10.0Ti2.5Zr2.5 having well-balanced RT and high-T mechanical properties. This alloy has comparable high-T compressive strength to well-known MoNbTaW but is more ductile and more creep resistant. It is also superior to a commercial Mo-based refractory alloy and a nickelbased superalloy (Haynes-282) with improved high-T tensile strength and creep resistance.
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Comments
This article is published as Ouyang, G., Singh, P., Su, R. et al. Design of refractory multi-principal-element alloys for high-temperature applications. npj Comput Mater 9, 141 (2023). https://doi.org/10.1038/s41524-023-01095-4. Posted with permission.
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Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.