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

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{
  "metadata": {
    "is_last": true, 
    "version": 1, 
    "title": "Yield strength and misfit volumes of NiCoCr and implications for short-range-order", 
    "keywords": [
      "high-entropy alloy", 
      "short-range order", 
      "yield strength", 
      "MARVEL/DD2", 
      "SNSF", 
      "EPFL"
    ], 
    "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.", 
    "license": "Creative Commons Attribution 4.0 International", 
    "references": [
      {
        "type": "Journal reference", 
        "citation": "B. Yin, S. Yoshida, N. Tsuji, W. A. Curtin, Nature Communications 11, 2507 (2020)", 
        "doi": "10.1038/s41467-020-16083-1"
      }
    ], 
    "doi": "10.24435/materialscloud:s4-g3", 
    "conceptrecid": "712", 
    "publication_date": "Jan 22, 2021, 12:30:53", 
    "edited_by": 100, 
    "_oai": {
      "id": "oai:materialscloud.org:713"
    }, 
    "contributors": [
      {
        "affiliations": [
          "Laboratory for Multiscale Mechanics Modeling, Ecole Polytechnique F\u00e9d\u00e9rale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland"
        ], 
        "email": "binglun.yin@epfl.ch", 
        "familyname": "Yin", 
        "givennames": "Binglun"
      }, 
      {
        "affiliations": [
          "Laboratory for Multiscale Mechanics Modeling, Ecole Polytechnique F\u00e9d\u00e9rale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland"
        ], 
        "email": "william.curtin@epfl.ch", 
        "familyname": "Curtin", 
        "givennames": "William"
      }
    ], 
    "owner": 18, 
    "license_addendum": null, 
    "mcid": "2021.14", 
    "_files": [
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        "description": "VASP calculations of Ni2Co, Ni2Cr, NiCoCr, and the elemental bulk properties.", 
        "key": "NatComm_NiCoCr_SRO_VASP_least.tar.xz"
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        "description": "EMTO calculations of Ni2Cr, NiCoCr, and the elemental bulk properties.", 
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        "description": "Description of the contents of the archives", 
        "key": "README.txt"
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    ], 
    "id": "713", 
    "status": "published"
  }, 
  "revision": 10, 
  "updated": "2021-01-22T11:30:53.376473+00:00", 
  "created": "2021-01-18T12:32:44.850793+00:00", 
  "id": "713"
}