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Thermal Expansion, Elastic and Magnetic Properties of FeCoNiCu-Based High-Entropy Alloys Using First-Principle Theory
Royal Inst Technol, Appl Mat Phys, Dept Mat Sci & Engn, S-10044 Stockholm, Sweden..
Wigner Res Ctr Phys, Inst Solid State Phys & Opt, POB 49, H-1525 Budapest, Hungary.;Eotvos Lorand Univ, Dept Mat Phys, Pazmany Peter Setany 1-A, H-1117 Budapest, Hungary..
Eotvos Lorand Univ, Dept Mat Phys, Pazmany Peter Setany 1-A, H-1117 Budapest, Hungary..
Sandvik Coromant R&D, S-12680 Stockholm, Sweden..
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2017 (English)In: JOM: The Member Journal of TMS, ISSN 1047-4838, E-ISSN 1543-1851, Vol. 69, no 11, p. 2107-2112Article in journal (Refereed) Published
Abstract [en]

The effects of V, Cr, and Mn on the magnetic, elastic, and thermal properties of FeCoNiCu high-entropy alloy are studied by using the exact muffin-tin orbitals method in combination with the coherent potential approximation. The calculated lattice parameters and Curie temperatures in the face-centered-cubic structure are in line with the available experimental and theoretical data. A significant change in the magnetic behavior is revealed when adding equimolar V, Cr, and Mn to the host composition. The three independent single-crystal elastic constants are computed using a finite strain technique, and the polycrystalline elasticity parameters including shear modulus, Young's modulus, Pugh ratio, Poisson's ratio, and elastic anisotropy are derived and discussed. The effects of temperature on the structural parameters are determined by making use of the Debye-Gruneisen model. It is found that FeCoNiCuCr possesses a slightly larger thermal expansion coefficient than do the other alloys considered here.

Place, publisher, year, edition, pages
SPRINGER , 2017. Vol. 69, no 11, p. 2107-2112
National Category
Materials Engineering
Identifiers
URN: urn:nbn:se:uu:diva-337316DOI: 10.1007/s11837-017-2565-6ISI: 000412849100005OAI: oai:DiVA.org:uu-337316DiVA, id: diva2:1171871
Funder
Swedish Research CouncilSwedish Foundation for Strategic Research The Swedish Foundation for International Cooperation in Research and Higher Education (STINT)Carl Tryggers foundation VINNOVA, 2014-03374
Available from: 2018-01-08 Created: 2018-01-08 Last updated: 2018-01-08Bibliographically approved

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Vitos, Levente

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