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Title: Yield strength and misfit volumes of NiCoCr and implications for short-range-order
Authors: Yin, Binglun
Yoshida, Shuhei  kyouindb  KAKEN_id  orcid https://orcid.org/0000-0001-7798-3883 (unconfirmed)
Tsuji, Nobuhiro  kyouindb  KAKEN_id  orcid https://orcid.org/0000-0002-2132-1327 (unconfirmed)
Curtin, W. A.
Author's alias: 吉田, 周平
辻, 伸泰
Keywords: Atomistic models
Mechanical properties
Metals and alloys
Issue Date: 19-May-2020
Publisher: Springer Nature
Journal title: Nature Communications
Volume: 11
Thesis number: 2507
Abstract: 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.
Rights: © The Author(s) 2020. 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/.
URI: http://hdl.handle.net/2433/259216
DOI(Published Version): 10.1038/s41467-020-16083-1
PubMed ID: 32427824
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