Experimental and computational studies on high-entropy carbide MoNbTaVWC5 under high pressures

Iwan, Seth; Ahmad, Muhammad Shiraz; Chen, Cheng-Chien; Catledge, Shane A.; Vohra, Yogesh K.

doi:10.1063/5.0291488

Title: Experimental and computational studies on high-entropy carbide MoNbTaVWC₅ under high pressures

Journal Article · Wed Oct 08 00:00:00 UTC 2025 · Journal of Applied Physics

DOI: https://doi.org/10.1063/5.0291488 · OSTI ID:2998582

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University of Alabama at Birmingham, AL (United States)

High-entropy carbide, MoNbTaVWC₅, was synthesized from oxide precursors of the constituent metals, mixed with graphite powder in a microwave-generated hydrogen plasma at 26.66 kPa and 2100 °C. Ambient x-ray diffraction analysis confirms the full conversion of oxide precursors into a single-phase, face-centered cubic structure with a lattice parameter a = 4.3309 Å. Nanoindentation measured a hardness of 24.5 ± 1.3 GPa and an elastic modulus of 386 ± 22 GPa. The synthesized sample, mixed with a copper pressure marker, was studied by the radial x-ray diffraction technique with beryllium gasketing in a diamond anvil cell up to 70 GPa. The experimentally measured pressure–volume curve and shear strength were compared with theoretical predictions using the special quasi-random structure technique and density functional theory. MoNbTaVWC₅ achieved a 12% volume compression at 70 GPa and exhibited a high shear strength of 6.6 GPa. The present study demonstrates that the high-entropy carbide MoNbTaVWC₅ exhibits exceptional incompressibility and high strength under extreme conditions.

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Research Organization:: University of Alabama at Birmingham, AL (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC)

Grant/Contract Number:: AC02-06CH11357; NA0004154

OSTI ID:: 2998582

Journal Information:: Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 14 Vol. 138; ISSN 0021-8979; ISSN 1089-7550

Publisher:: AIP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

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Title: Experimental and computational studies on high-entropy carbide MoNbTaVWC5 under high pressures

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Title: Experimental and computational studies on high-entropy carbide MoNbTaVWC₅ under high pressures