Lattice distortions in the FeCoNiCrMn high entropy alloy studied by theory and experiment

Oh, H.S.; Ma, D; Leyson, G.P.; Grabowski, B; Park, E.S.; Körmann, F.H.W.; Raabe, D.

doi:10.3390/e18090321

Lattice distortions in the FeCoNiCrMn high entropy alloy studied by theory and experiment

Title

Lattice distortions in the FeCoNiCrMn high entropy alloy studied by theory and experiment

Author

Oh, H.S. (Seoul National University; Max-Planck-Institut für Eisenforschung)
Ma, D (Max-Planck-Institut für Eisenforschung)
Leyson, G.P. (Max-Planck-Institut für Eisenforschung)
Grabowski, B (Max-Planck-Institut für Eisenforschung)
Park, E.S. (Seoul National University)
Körmann, F.H.W. (TU Delft (OLD) MSE-7)
Raabe, D. (Max-Planck-Institut für Eisenforschung)

Date

2016

Abstract

Lattice distortions constitute one of the main features characterizing high entropy alloys. Local lattice distortions have, however, only rarely been investigated in these multi-component alloys. We, therefore, employ a combined theoretical electronic structure and experimental approach to study the atomistic distortions in the FeCoNiCrMn high entropy (Cantor) alloy by means of density-functional theory and extended X-ray absorption fine structure spectroscopy. Particular attention is paid to element-resolved distortions for each constituent. The individual mean distortions are small on average, <1%, but their fluctuations (i.e., standard deviations) are an order of magnitude larger, in particular for Cr and Mn. Good agreement between theory and experiment is found.

Subject

high entropy alloy
lattice distortions
density functional theory
extended X-ray absorption fine-structure spectroscopy
OA-Fund TU Delft

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http://resolver.tudelft.nl/uuid:290533be-ebd2-4e55-b512-b5fae92ea34e

DOI

https://doi.org/10.3390/e18090321

ISSN

1099-4300

Source

Entropy: international and interdisciplinary journal of entropy and information studies, 18 (9), 1-18

Part of collection

Institutional Repository