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Yield strength and misfit volumes of NiCoCr and implications for short-range-order

The face-centered cubic medium-entropy alloy NiCoCr has received considerable attention for its good mechanical properties, uncertain stacking fault energy, etc, some of which have been attributed to chemical short-range order (SRO). Here, we examine the yield strength and misfit volumes of NiCoCr t...

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Autores principales: Yin, Binglun, Yoshida, Shuhei, Tsuji, Nobuhiro, Curtin, W. A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7237450/
https://www.ncbi.nlm.nih.gov/pubmed/32427824
http://dx.doi.org/10.1038/s41467-020-16083-1
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author Yin, Binglun
Yoshida, Shuhei
Tsuji, Nobuhiro
Curtin, W. A.
author_facet Yin, Binglun
Yoshida, Shuhei
Tsuji, Nobuhiro
Curtin, W. A.
author_sort Yin, Binglun
collection PubMed
description The face-centered cubic medium-entropy alloy NiCoCr has received considerable attention for its good mechanical properties, uncertain stacking fault energy, etc, some of which have been attributed to chemical short-range order (SRO). Here, we examine the yield strength and misfit volumes of NiCoCr to determine whether SRO has measurably influenced mechanical properties. Polycrystalline strengths show no systematic trend with different processing conditions. Measured misfit volumes in NiCoCr are consistent with those in random binaries. Yield strength prediction of a random NiCoCr alloy matches well with experiments. Finally, we show that standard spin-polarized density functional theory (DFT) calculations of misfit volumes are not accurate for NiCoCr. This implies that DFT may be inaccurate for other subtle structural quantities such as atom-atom bond distance so that caution is required in drawing conclusions about NiCoCr based on DFT. These findings all lead to the conclusion that, under typical processing conditions, SRO in NiCoCr is either negligible or has no systematic measurable effect on strength.
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spelling pubmed-72374502020-05-27 Yield strength and misfit volumes of NiCoCr and implications for short-range-order Yin, Binglun Yoshida, Shuhei Tsuji, Nobuhiro Curtin, W. A. Nat Commun Article The face-centered cubic medium-entropy alloy NiCoCr has received considerable attention for its good mechanical properties, uncertain stacking fault energy, etc, some of which have been attributed to chemical short-range order (SRO). Here, we examine the yield strength and misfit volumes of NiCoCr to determine whether SRO has measurably influenced mechanical properties. Polycrystalline strengths show no systematic trend with different processing conditions. Measured misfit volumes in NiCoCr are consistent with those in random binaries. Yield strength prediction of a random NiCoCr alloy matches well with experiments. Finally, we show that standard spin-polarized density functional theory (DFT) calculations of misfit volumes are not accurate for NiCoCr. This implies that DFT may be inaccurate for other subtle structural quantities such as atom-atom bond distance so that caution is required in drawing conclusions about NiCoCr based on DFT. These findings all lead to the conclusion that, under typical processing conditions, SRO in NiCoCr is either negligible or has no systematic measurable effect on strength. Nature Publishing Group UK 2020-05-19 /pmc/articles/PMC7237450/ /pubmed/32427824 http://dx.doi.org/10.1038/s41467-020-16083-1 Text en © The Author(s) 2020 Open Access This 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 license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license 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 license, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Yin, Binglun
Yoshida, Shuhei
Tsuji, Nobuhiro
Curtin, W. A.
Yield strength and misfit volumes of NiCoCr and implications for short-range-order
title Yield strength and misfit volumes of NiCoCr and implications for short-range-order
title_full Yield strength and misfit volumes of NiCoCr and implications for short-range-order
title_fullStr Yield strength and misfit volumes of NiCoCr and implications for short-range-order
title_full_unstemmed Yield strength and misfit volumes of NiCoCr and implications for short-range-order
title_short Yield strength and misfit volumes of NiCoCr and implications for short-range-order
title_sort yield strength and misfit volumes of nicocr and implications for short-range-order
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7237450/
https://www.ncbi.nlm.nih.gov/pubmed/32427824
http://dx.doi.org/10.1038/s41467-020-16083-1
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