Generalized stacking fault energy curves for six body-centered cubic refractory metals

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{
  "revision": 4, 
  "id": "288", 
  "created": "2020-05-12T13:53:34.836267+00:00", 
  "metadata": {
    "doi": "10.24435/materialscloud:2020.0001/v1", 
    "status": "published", 
    "title": "Generalized stacking fault energy curves for six body-centered cubic refractory metals", 
    "mcid": "2020.0001/v1", 
    "license_addendum": "", 
    "_files": [
      {
        "description": "For each metal, there are three files, corresponding to the GSFE curves on {110}, {112}, and {123} planes, respectively. In  each file, there are 41 GSFE values along the <111> direction. The first column is the displacements along the <111> direction, in units of the lattice periodicity length. The second column is the GSFE values, in units of mJ/m^2.", 
        "key": "bcc_gsfe.zip", 
        "size": 9236, 
        "checksum": "md5:74dbea6de8379d3aec5f2cfa25d56317"
      }
    ], 
    "owner": 14, 
    "_oai": {
      "id": "oai:materialscloud.org:288"
    }, 
    "keywords": [
      "Density functional theory", 
      "Generalized stacking fault energies", 
      "Body-centered cubic refractory metals"
    ], 
    "conceptrecid": "287", 
    "is_last": true, 
    "references": [
      {
        "type": "Journal reference", 
        "doi": "10.1016/j.jmps.2020.104017", 
        "url": "https://www.sciencedirect.com/science/article/pii/S0022509620302520", 
        "comment": "", 
        "citation": "Shuozhi Xu, Yanqing Su, Lauren T.W. Smith, Irene J. Beyerlein, Journal of the Mechanics and Physics of Solids, 141, 104017 (2020)"
      }
    ], 
    "publication_date": "Jan 06, 2020, 00:00:00", 
    "license": "Creative Commons Attribution 4.0 International", 
    "id": "288", 
    "description": "Density functional theory calculations were used to obtain the generalized stacking fault energy curves in six BCC metals: Cr, Mo, Nb, Ta, V, and W. Among them, antiferromagnetism was considered only in Cr. Results based on non-magnetic Cr are denoted as Cr-NM.", 
    "version": 1, 
    "contributors": [
      {
        "email": "shuozhixu@ucsb.edu", 
        "affiliations": [
          "California NanoSystems Institute, University of California, Santa Barbara, Santa Barbara, CA 93106-6105, USA"
        ], 
        "familyname": "Xu", 
        "givennames": "Shuozhi"
      }, 
      {
        "affiliations": [
          "Department of Mechanical Engineering, University of California, Santa Barbara, Santa Barbara, CA 93106-5070, USA"
        ], 
        "familyname": "Su", 
        "givennames": "Yanqing"
      }, 
      {
        "affiliations": [
          "Materials Department, University of California, Santa Barbara, Santa Barbara, CA 93106-5050, USA"
        ], 
        "familyname": "Smith", 
        "givennames": "Lauren"
      }, 
      {
        "affiliations": [
          "Department of Mechanical Engineering and Materials Department, University of California, Santa Barbara, Santa Barbara, CA 93106, USA"
        ], 
        "familyname": "Beyerlein", 
        "givennames": "Irene"
      }
    ], 
    "edited_by": 14
  }, 
  "updated": "2020-05-27T20:16:35.822450+00:00"
}