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Tensile deformation behavior of twist grain boundaries in CoCrFeMnNi high entropy alloy bicrystals

High entropy alloys (HEA) are a class of materials that consist of multiple elemental species in similar concentrations. The use of elements in far from dilute concentrations introduces a multi-dimensional composition design space by which the properties of metallic systems can be tailored. While th...

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Autores principales: Lee, Hyunsoo, Shabani, Mitra, Pataky, Garrett J., Abdeljawad, Fadi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7801446/
https://www.ncbi.nlm.nih.gov/pubmed/33431909
http://dx.doi.org/10.1038/s41598-020-77487-z
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author Lee, Hyunsoo
Shabani, Mitra
Pataky, Garrett J.
Abdeljawad, Fadi
author_facet Lee, Hyunsoo
Shabani, Mitra
Pataky, Garrett J.
Abdeljawad, Fadi
author_sort Lee, Hyunsoo
collection PubMed
description High entropy alloys (HEA) are a class of materials that consist of multiple elemental species in similar concentrations. The use of elements in far from dilute concentrations introduces a multi-dimensional composition design space by which the properties of metallic systems can be tailored. While the mechanical behavior of HEAs has been the subject of active research recently, the role of grain boundaries (GBs) in their deformation behavior remains poorly understood. Motivated by recent experiments on HEAs demonstrating that GBs act as nucleation sites for deformation twins, herein, we leverage atomistic simulations to construct a series of equiatomic CoCrFeMnNi HEA bicrystals with [Formula: see text] and [Formula: see text] symmetric twist GBs and examine their tensile behavior and underlying deformation mechanisms at 77 K. Simulation results reveal that plastic deformation proceeds by the nucleation of partial dislocations from GBs, which then grow with further loading by bowing into the bulk crystals leaving behind stacking faults. Variations in the nucleation stress exist as function of GB character, defined in this work by the twist angle. Our results provide future avenues to explore GBs as a microstructure design tool to develop HEAs with tailored properties.
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spelling pubmed-78014462021-01-12 Tensile deformation behavior of twist grain boundaries in CoCrFeMnNi high entropy alloy bicrystals Lee, Hyunsoo Shabani, Mitra Pataky, Garrett J. Abdeljawad, Fadi Sci Rep Article High entropy alloys (HEA) are a class of materials that consist of multiple elemental species in similar concentrations. The use of elements in far from dilute concentrations introduces a multi-dimensional composition design space by which the properties of metallic systems can be tailored. While the mechanical behavior of HEAs has been the subject of active research recently, the role of grain boundaries (GBs) in their deformation behavior remains poorly understood. Motivated by recent experiments on HEAs demonstrating that GBs act as nucleation sites for deformation twins, herein, we leverage atomistic simulations to construct a series of equiatomic CoCrFeMnNi HEA bicrystals with [Formula: see text] and [Formula: see text] symmetric twist GBs and examine their tensile behavior and underlying deformation mechanisms at 77 K. Simulation results reveal that plastic deformation proceeds by the nucleation of partial dislocations from GBs, which then grow with further loading by bowing into the bulk crystals leaving behind stacking faults. Variations in the nucleation stress exist as function of GB character, defined in this work by the twist angle. Our results provide future avenues to explore GBs as a microstructure design tool to develop HEAs with tailored properties. Nature Publishing Group UK 2021-01-11 /pmc/articles/PMC7801446/ /pubmed/33431909 http://dx.doi.org/10.1038/s41598-020-77487-z Text en © The Author(s) 2021 Open AccessThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Lee, Hyunsoo
Shabani, Mitra
Pataky, Garrett J.
Abdeljawad, Fadi
Tensile deformation behavior of twist grain boundaries in CoCrFeMnNi high entropy alloy bicrystals
title Tensile deformation behavior of twist grain boundaries in CoCrFeMnNi high entropy alloy bicrystals
title_full Tensile deformation behavior of twist grain boundaries in CoCrFeMnNi high entropy alloy bicrystals
title_fullStr Tensile deformation behavior of twist grain boundaries in CoCrFeMnNi high entropy alloy bicrystals
title_full_unstemmed Tensile deformation behavior of twist grain boundaries in CoCrFeMnNi high entropy alloy bicrystals
title_short Tensile deformation behavior of twist grain boundaries in CoCrFeMnNi high entropy alloy bicrystals
title_sort tensile deformation behavior of twist grain boundaries in cocrfemnni high entropy alloy bicrystals
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7801446/
https://www.ncbi.nlm.nih.gov/pubmed/33431909
http://dx.doi.org/10.1038/s41598-020-77487-z
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