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Thermal Expansion, Elastic and Magnetic Properties of FeCoNiCu-Based High-Entropy Alloys Using First-Principle Theory
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.
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2017 (English)In: JOM: The Member Journal of TMS, ISSN 1047-4838, E-ISSN 1543-1851, Vol. 69, no 11, 2107-2112 p.Article 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, 2107-2112 p.
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Other Materials Engineering
Identifiers
URN: urn:nbn:se:kth:diva-217027DOI: 10.1007/s11837-017-2565-6ISI: 000412849100005Scopus ID: 2-s2.0-85028756402OAI: oai:DiVA.org:kth-217027DiVA: diva2:1160158
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QC 20171124

Available from: 2017-11-24 Created: 2017-11-24 Last updated: 2017-11-24Bibliographically approved

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Vitos, Levente

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