Design of refractory multi-principal-element alloys for high-temperature applications

Autor: Gaoyuan Ouyang, Prashant Singh, Ranran Su, Duane D. Johnson, Matthew J. Kramer, John H. Perepezko, Oleg N. Senkov, Daniel Miracle, Jun Cui
Jazyk: angličtina
Rok vydání: 2023
Předmět:
Zdroj: npj Computational Materials, Vol 9, Iss 1, Pp 1-10 (2023)
Druh dokumentu: article
ISSN: 2057-3960
DOI: 10.1038/s41524-023-01095-4
Popis: 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: $$-150\le {E}_{{\rm {f}}}$$ − 150 ≤ E f ≤ +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 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 nickel-based superalloy (Haynes-282) with improved high-T tensile strength and creep resistance.
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