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arXiv · 2312.04708

Integrated Design of Aluminum-Containing High-entropy Refractory B2 Alloys with Synergy of High Strength and Ductility

Jie Qi·Xuesong Fan·Diego Ibarra Hoyos·Michael Widom·Peter K. Liaw·Joseph Poon
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Abstract

Refractory high-entropy alloys, RHEAs, are promising high-temperature structural materials. Their large compositional space poses great design challenges for phase control and high strength-ductility synergy. The present research pioneers using integrated high-throughput machine learning with Monte Carlo simulations to effectively navigate phase-selection and mechanical-properties predictions, developing aluminum-containing RHEAs in single-phase ordered B2 alloys demonstrating both high strength and ductility. These aluminum-containing RHEAs achieve remarkable mechanical properties, including compressive yield strengths up to 1.6 GPa, fracture strains exceeding 50 percent, and significant high-temperature strength retention. They also demonstrate a tensile yield strength of 1.1 GPa with a tension ductility of 6.3 percent. Besides, we identify a valence-electron-count domain for alloy brittleness with the explanation from density-functional theory and provide crucial insights into elements' influence on atomic ordering and mechanical performance. The work sets forth a strategic blueprint for high-throughput alloy design and reveals fundamental principles that govern the mechanical properties of advanced structural alloys.

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Jie Qi, Xuesong Fan, Diego Ibarra Hoyos, Michael Widom, Peter K. Liaw, Joseph Poon. 2023-12-07. Integrated Design of Aluminum-Containing High-entropy Refractory B2 Alloys with Synergy of High Strength and Ductility. https://arxiv.org/abs/2312.04708

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