Effect of segregation on deformation behaviour of nanoscale CoCrCuFeNi high-entropy alloy

A molecular dynamics (MD) simulation method is used to investigate the effect of grain boundary (GB) segregation on the deformation behavior of bicrystals of equiatomic nanoscale CoCrCuFeNi high-entropy alloy (HEA). The deformation mechanisms during shear and tensile deformation at 300 K and 100 K a...

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Main Authors: Kazakov, Arseny M., Yakhin, Azat V., Karimov, Elvir Z., Babicheva, Rita I., Kistanov, Andrey A., Korznikova, Elena A.
Other Authors: School of Mechanical and Aerospace Engineering
Format: Article
Language:English
Published: 2023
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Online Access:https://hdl.handle.net/10356/169526
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Institution: Nanyang Technological University
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spelling sg-ntu-dr.10356-1695262023-07-22T16:48:24Z Effect of segregation on deformation behaviour of nanoscale CoCrCuFeNi high-entropy alloy Kazakov, Arseny M. Yakhin, Azat V. Karimov, Elvir Z. Babicheva, Rita I. Kistanov, Andrey A. Korznikova, Elena A. School of Mechanical and Aerospace Engineering Engineering::Mechanical engineering High-Entropy Alloys Molecular Dynamics A molecular dynamics (MD) simulation method is used to investigate the effect of grain boundary (GB) segregation on the deformation behavior of bicrystals of equiatomic nanoscale CoCrCuFeNi high-entropy alloy (HEA). The deformation mechanisms during shear and tensile deformation at 300 K and 100 K are analyzed. It is revealed that upon tensile deformation, the stacking fault formation, and twinning are the main deformation mechanisms, while for the shear deformation, the main contribution to the plastic flow is realized through the GB migration. The presence of the segregation at GBs leads to the stabilization of GBs, while during the shear deformation of the nanoscale CoCrCuFeNi HEA without the segregation at GBs, GBs are subject to migration. It is found that the GB segregation can differently influence the plasticity of the nanoscale CoCrCuFeNi HEA, depending on the elemental composition of the segregation layer. In the case of copper and nickel segregations, an increase in the segregation layer size enhances the plasticity of the nanoscale CoCrCuFeNi HEA. However, an increase in the thickness of chromium segregations deteriorates the plasticity while enhancing maximum shear stress. The results obtained in this study shed light on the development of HEAs with enhanced mechanical properties via GB engineering. Published version The research was carried out with financial support from the Ministry of Science and Higher Education of the Russian Federation within the framework of the state assignment of the Ufa University of Science and Technology (Agreement No. 075-03-2023-119) for the Youth Research Laboratory of the Center for Metals and Alloys under Extreme Conditions for K.A.M., grant NSH4320.2022.1.2 for K.A.A., and grant RSF 21-12-00275 for K.E.A. 2023-07-21T07:57:07Z 2023-07-21T07:57:07Z 2023 Journal Article Kazakov, A. M., Yakhin, A. V., Karimov, E. Z., Babicheva, R. I., Kistanov, A. A. & Korznikova, E. A. (2023). Effect of segregation on deformation behaviour of nanoscale CoCrCuFeNi high-entropy alloy. Applied Sciences, 13(6), 4013-. https://dx.doi.org/10.3390/app13064013 2076-3417 https://hdl.handle.net/10356/169526 10.3390/app13064013 2-s2.0-85151955945 6 13 4013 en Applied Sciences © 2023 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). application/pdf
institution Nanyang Technological University
building NTU Library
continent Asia
country Singapore
Singapore
content_provider NTU Library
collection DR-NTU
language English
topic Engineering::Mechanical engineering
High-Entropy Alloys
Molecular Dynamics
spellingShingle Engineering::Mechanical engineering
High-Entropy Alloys
Molecular Dynamics
Kazakov, Arseny M.
Yakhin, Azat V.
Karimov, Elvir Z.
Babicheva, Rita I.
Kistanov, Andrey A.
Korznikova, Elena A.
Effect of segregation on deformation behaviour of nanoscale CoCrCuFeNi high-entropy alloy
description A molecular dynamics (MD) simulation method is used to investigate the effect of grain boundary (GB) segregation on the deformation behavior of bicrystals of equiatomic nanoscale CoCrCuFeNi high-entropy alloy (HEA). The deformation mechanisms during shear and tensile deformation at 300 K and 100 K are analyzed. It is revealed that upon tensile deformation, the stacking fault formation, and twinning are the main deformation mechanisms, while for the shear deformation, the main contribution to the plastic flow is realized through the GB migration. The presence of the segregation at GBs leads to the stabilization of GBs, while during the shear deformation of the nanoscale CoCrCuFeNi HEA without the segregation at GBs, GBs are subject to migration. It is found that the GB segregation can differently influence the plasticity of the nanoscale CoCrCuFeNi HEA, depending on the elemental composition of the segregation layer. In the case of copper and nickel segregations, an increase in the segregation layer size enhances the plasticity of the nanoscale CoCrCuFeNi HEA. However, an increase in the thickness of chromium segregations deteriorates the plasticity while enhancing maximum shear stress. The results obtained in this study shed light on the development of HEAs with enhanced mechanical properties via GB engineering.
author2 School of Mechanical and Aerospace Engineering
author_facet School of Mechanical and Aerospace Engineering
Kazakov, Arseny M.
Yakhin, Azat V.
Karimov, Elvir Z.
Babicheva, Rita I.
Kistanov, Andrey A.
Korznikova, Elena A.
format Article
author Kazakov, Arseny M.
Yakhin, Azat V.
Karimov, Elvir Z.
Babicheva, Rita I.
Kistanov, Andrey A.
Korznikova, Elena A.
author_sort Kazakov, Arseny M.
title Effect of segregation on deformation behaviour of nanoscale CoCrCuFeNi high-entropy alloy
title_short Effect of segregation on deformation behaviour of nanoscale CoCrCuFeNi high-entropy alloy
title_full Effect of segregation on deformation behaviour of nanoscale CoCrCuFeNi high-entropy alloy
title_fullStr Effect of segregation on deformation behaviour of nanoscale CoCrCuFeNi high-entropy alloy
title_full_unstemmed Effect of segregation on deformation behaviour of nanoscale CoCrCuFeNi high-entropy alloy
title_sort effect of segregation on deformation behaviour of nanoscale cocrcufeni high-entropy alloy
publishDate 2023
url https://hdl.handle.net/10356/169526
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