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The Effect of Reduced Co Content in CrMnFeCoNi Alloys: A First Principles Study
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.ORCID iD: 0000-0002-6346-8087
Faculty of Industrial Engineering, Mechanical Engineering and Computer Science, University of Iceland, Sæmundargötu 2, 102 Reykjavík, Iceland.
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.ORCID iD: 0000-0001-8629-5193
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.ORCID iD: 0000-0003-4075-7385
2025 (English)In: Metals, ISSN 2075-4701, Vol. 15, no 4, article id 362Article in journal (Refereed) Published
Abstract [en]

This study investigates high-entropy CrMnFeCoNi alloys with reduced Co content using density functional theory. The muffin-tin orbital method and coherent potential approximation successfully predict experimental values for volume, magnetic moment, and elastic constants. Thermodynamic properties, analyzed using the Debye–Gruneisen model, emphasize the need to consider both electronic and magnetic contributions to the free energy. The alloys exhibit anti-Invar behavior, with a significant increase in the linear thermal expansion coefficient with increased temperature. This effect is slightly more pronounced for reduced Co content, leading to a larger lattice parameter and a decrease in elastic constants. However, the changes are small, suggesting that similar mechanical properties can be achieved with lower Co content.

Place, publisher, year, edition, pages
MDPI, 2025. Vol. 15, no 4, article id 362
Keywords [en]
HEA, DFT, CPA
National Category
Condensed Matter Physics Metallurgy and Metallic Materials
Research subject
Applied Physics
Identifiers
URN: urn:nbn:se:ltu:diva-112241DOI: 10.3390/met15040362OAI: oai:DiVA.org:ltu-112241DiVA, id: diva2:1950025
Note

Validerad;2025;Nivå 2;2025-04-04 (u4);

Fulltext license: CC BY

Available from: 2025-04-04 Created: 2025-04-04 Last updated: 2025-04-04Bibliographically approved

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