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

Binglun Yin (), Shuhei Yoshida, Nobuhiro Tsuji and W. A. Curtin
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Binglun Yin: École Polytechnique Fédérale de Lausanne
Shuhei Yoshida: Kyoto University
Nobuhiro Tsuji: Kyoto University
W. A. Curtin: École Polytechnique Fédérale de Lausanne

Nature Communications, 2020, vol. 11, issue 1, 1-7

Abstract: 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.

Date: 2020
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DOI: 10.1038/s41467-020-16083-1

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