Journal
ENTROPY
Volume 18, Issue 9, Pages -Publisher
MDPI
DOI: 10.3390/e18090321
Keywords
high entropy alloy; lattice distortions; density functional theory; extended X-ray absorption fine-structure spectroscopy
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Funding
- Deutsche Forschungsgemeinschaft (DFG) [KO 5080/1-1]
- European Research Council (ERC) under the European Union [639211]
- National Research Foundation of Korea (NRF) under the Korean Government (Ministry of Science, ICT and Future Planning) [NRF-2014M1A7A1A01030139]
- National Research Foundation of Korea [2014M1A7A1A01030139] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
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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.
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