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Transformation of metastable dual-phase (Ti0.25V0.25Zr0.25Hf0.25)B2 to stable high-entropy single-phase boride by thermal annealing
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.ORCID iD: 0000-0001-9920-1643
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science. Center for Multidimensional Carbon Materials, Institute for Basic Science (IBS), Ulsan 44919, Republic of Korea.ORCID iD: 0000-0003-1542-6170
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.ORCID iD: 0000-0003-4888-6237
2021 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 119, no 16, article id 161905Article in journal (Refereed) Published
Abstract [en]

Transition metal borides have a unique combination of high melting point and high chemical stability and are suitable for high temperature applications (>2000 °C). A metastable dual-phase boride (Ti0.25V0.25Zr0.25Hf0.25)B2 with distinct two hexagonal phases and with an intermediate entropy formation ability of 87.9 (eV/atom)−1 as calculated via the density functional theory (DFT) was consolidated by pulsed current sintering. Thermal annealing of the sintered dual-phase boride at 1500 °C promoted the diffusion of metallic elements between the two boride phases leading to chemical homogenization and resulted in the stabilization of a single-phase high-entropy boride. Scanning electron microscopy, in situ high temperature x-ray diffraction, and simultaneous thermal analysis of the as-sintered and annealed high-entropy borides showed the homogenization of a dual-phase to a single-phase. The experimentally obtained single-phase structure was verified by DFT calculations using special quasirandom structures, which were further used for theoretical investigations of lattice distortions and mechanical properties. Experimentally measured mechanical properties of the single-phase boride showed improved mechanical properties with a hardness of 33.2 ± 2.1 GPa, an elastic modulus of 466.0 ± 5.9 GPa, and a fracture toughness of 4.1 ± 0.6 MPa m1/2.

Place, publisher, year, edition, pages
AIP Publishing LLC , 2021. Vol. 119, no 16, article id 161905
National Category
Materials Chemistry
Research subject
Engineering Materials
Identifiers
URN: urn:nbn:se:ltu:diva-87718DOI: 10.1063/5.0066698ISI: 000749635800015Scopus ID: 2-s2.0-85117447040OAI: oai:DiVA.org:ltu-87718DiVA, id: diva2:1607580
Funder
Swedish Foundation for Strategic Research , RIF14-0083Swedish Research Council, 2018-05973
Note

Validerad;2021;Nivå 2;2021-11-01 (beamah);

Funder: The Swedish National Infrastructure for Computing (SNIC 2021/5-103)

Available from: 2021-11-01 Created: 2021-11-01 Last updated: 2022-03-14Bibliographically approved

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Feltrin, Ana C.Hedman, DanielAkhtar, Farid

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