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Elasticity of high-entropy alloys from ab initio theory
Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden.
Univ Sci & Technol Beijing, Inst Appl Phys, Beijing 100083, Peoples R China;Univ Sci & Technol Beijing, Beijing Key Lab Magnetophotoelect Composite & Int, Beijing 100083, Peoples R China.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory. Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden; Wigner Res Ctr Phys, Inst Solid State Phys & Opt, H-1525 Budapest, Hungary.ORCID iD: 0000-0003-2832-3293
2018 (English)In: Journal of Materials Research, ISSN 0884-2914, E-ISSN 2044-5326, Vol. 33, no 19, p. 2938-2953Article, review/survey (Refereed) Published
Abstract [en]

High-entropy alloys (HEAs) consisting of multiprincipal elements have demonstrated many interesting structural, physical, and chemical properties for a wide range of applications. This article is a review of the current theoretical research on the elastic parameters of HEAs. The performance of various ab initio-based computational models (effective medium and supercell approaches) is carefully analyzed. Representative theoretical elastic parameters of different HEAs, including single-crystal elastic constants, polycrystalline elastic moduli, elastic anisotropy, and Debye temperature, are presented and discussed. For comparison, simple mixtures of the elastic moduli of pure elements are calculated and contrasted with the ab initio results. The present work provides a reference for future theoretical investigation of the micromechanical properties of systems based on HEAs.

Place, publisher, year, edition, pages
Cambridge University Press, 2018. Vol. 33, no 19, p. 2938-2953
Keywords [en]
alloy, elastic properties
National Category
Condensed Matter Physics Materials Chemistry
Identifiers
URN: urn:nbn:se:uu:diva-386346DOI: 10.1557/jmr.2018.237ISI: 000452650400007OAI: oai:DiVA.org:uu-386346DiVA, id: diva2:1337520
Funder
Swedish Research CouncilSwedish Foundation for Strategic Research Swedish Energy AgencyAvailable from: 2019-07-15 Created: 2019-07-15 Last updated: 2019-07-15Bibliographically approved

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