Name: NiCoCr_NC2020 Extended ID: NiCoCr_NC2020__Yin-Curtin__DS_5tegg4uvaixz_0 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. Authors: Binglun Yin William Curtin DOI: 10.60732/aa9d7982 Calculated Property Types: atomic_forces cauchy_stress energy Elements: Co (20.86%) Cr (31.94%) Ni (47.2%) Methods: DFT-PBE Software: VASP Number of Configurations: 428 Number of Atoms: 40,624 Publication Link: https://doi.org/10.1038/s41467-020-16083-1 Data Source Link: https://doi.org/10.24435/materialscloud:s4-g3