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Nano Research 2024, 17(6): 5336-5348 https://doi.org/10.1007/s12274-024-6443-6
Research Article | Open Access | Issue | Published: 27 February 2024

Anomalies in the short-range local environment and atomic diffusion in single crystalline equiatomic CrMnFeCoNi high-entropy alloy

Show Author's Information Alevtina Smekhova1( ),  Daniel Gaertner2,  Alexei Kuzmin3,  Ana Guilherme Buzanich4,  Goetz Schuck1,  Ivo Zizak1,  Gerhard Wilde2,  Kirill V. Yusenko4,  Sergiy Divinski2( )
Helmholtz-Zentrum Berlin für Materialien und Energie (HZB), D-12489 Berlin, Germany
Institute of Materials Physics, University of Münster, D-48149 Münster, Germany
Institute of Solid State Physics, University of Latvia, LV-1063 Riga, Latvia
Bundesanstalt für Materialforschung und – prüfung (BAM), D-12489 Berlin, Germany
Keywords:
diffusion, high-entropy alloys, reverse Monte Carlo, extended X-ray absorption fine structure (EXAFS), short-range order
Topics:
AlloyingAlloying elementsComputation theory Crystal atomic structureMicrostructureSingle crystalsTransition metalsX-ray absorptionX-ray absorption spectroscopyX-ray crystallographyX-ray diffractionX-rays
Cite this article:
Smekhova A, Gaertner D, Kuzmin A, et al. Anomalies in the short-range local environment and atomic diffusion in single crystalline equiatomic CrMnFeCoNi high-entropy alloy. Nano Research, 2024, 17(6): 5336-5348. https://doi.org/10.1007/s12274-024-6443-6
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Abstract Full text About this article

Multi-edge extended X-ray absorption fine structure (EXAFS) spectroscopy combined with reverse Monte Carlo (RMC) simulations was used to probe the details of element-specific local coordinations and component-dependent structure relaxations in single crystalline equiatomic CrMnFeCoNi high-entropy alloy as a function of the annealing temperature. Two representative states, namely a high-temperature state, created by annealing at 1373 K, and a low-temperature state, produced by long-term annealing at 993 K, were compared in detail. Specific features identified in atomic configurations of particular principal components indicate variations in the local environment distortions connected to different degrees of compositional disorder at the chosen representative temperatures. The detected changes provide new atomistic insights and correlate with the existence of kinks previously observed in the Arrhenius dependencies of component diffusion rates in the CrMnFeCoNi high-entropy alloy.


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About this article

Anomalies in the short-range local environment and atomic diffusion in single crystalline equiatomic CrMnFeCoNi high-entropy alloy

Show Author's information Alevtina Smekhova1( ), Daniel Gaertner2, Alexei Kuzmin3, Ana Guilherme Buzanich4, Goetz Schuck1, Ivo Zizak1, Gerhard Wilde2, Kirill V. Yusenko4, Sergiy Divinski2( )
Helmholtz-Zentrum Berlin für Materialien und Energie (HZB), D-12489 Berlin, Germany
Institute of Materials Physics, University of Münster, D-48149 Münster, Germany
Institute of Solid State Physics, University of Latvia, LV-1063 Riga, Latvia
Bundesanstalt für Materialforschung und – prüfung (BAM), D-12489 Berlin, Germany

Abstract

Multi-edge extended X-ray absorption fine structure (EXAFS) spectroscopy combined with reverse Monte Carlo (RMC) simulations was used to probe the details of element-specific local coordinations and component-dependent structure relaxations in single crystalline equiatomic CrMnFeCoNi high-entropy alloy as a function of the annealing temperature. Two representative states, namely a high-temperature state, created by annealing at 1373 K, and a low-temperature state, produced by long-term annealing at 993 K, were compared in detail. Specific features identified in atomic configurations of particular principal components indicate variations in the local environment distortions connected to different degrees of compositional disorder at the chosen representative temperatures. The detected changes provide new atomistic insights and correlate with the existence of kinks previously observed in the Arrhenius dependencies of component diffusion rates in the CrMnFeCoNi high-entropy alloy.

Keywords: diffusion, high-entropy alloys, reverse Monte Carlo, extended X-ray absorption fine structure (EXAFS), short-range order

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Publication history

Received: 27 September 2023
Revised: 27 November 2023
Accepted: 22 December 2023
Published: 27 February 2024
Issue date: June 2024

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© The Author(s) 2024

Acknowledgements

Acknowledgements

The authors thank the Helmholtz–Zentrum Berlin for the provision of access to synchrotron radiation facility and allocation of synchrotron radiation at the BAMline and KMC-3 (CryoEXAFS end-station) beamlines of BESSY II at HZB. Yu. Chumlyakov (Tomsk State University, Russia) is acknowledged for the growth of single crystals. A. S. also acknowledges personal funding from CALIPSOplus project (Grant Agreement No. 730872 from the EU Framework Programme for Research and Innovation HORIZON 2020). A. K. is thankful for the financial support from the Latvian Council of Science project No. lzp-2023/1-0476. S. D. acknowledges financial support by the German Research Foundation (DFG), project DI 1419/24-1. G. W. acknowledges financial support by DFG via SPP2006, project WI 1899/32-2. Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the EU Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement No. 739508, project CAMART2.

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Copyright: © 2023 by the author(s). This article is an open access article distributed under Creative Commons Attribution License (CC BY 4.0), visit https://creativecommons.org/licenses/by/4.0/.

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