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Elasticity of high-entropy alloys from ab initio theory
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
KTH, School of Engineering Sciences (SCI), Applied Physics.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 in journal (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. Copyright

Place, publisher, year, edition, pages
Cambridge University Press , 2018. Vol. 33, no 19, p. 2938-2953
Keywords [en]
elastic properties, salloy, Alloying, Computation theory, Elastic moduli, Elasticity, Single crystals, Computational model, High entropy alloys, Micromechanical property, Multiprincipal elements, Single crystal elastic constants, Theoretical investigations, Theoretical research, Entropy
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-247132DOI: 10.1557/jmr.2018.237ISI: 000452650400007Scopus ID: 2-s2.0-85054984344OAI: oai:DiVA.org:kth-247132DiVA, id: diva2:1301870
Note

Q C 20190403

Available from: 2019-04-03 Created: 2019-04-03 Last updated: 2019-04-03Bibliographically approved

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Huang, ShuoVitos, Levente

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