Adatom-Induced Local Melting

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{
  "revision": 1, 
  "id": "25", 
  "created": "2020-05-12T13:52:12.349966+00:00", 
  "metadata": {
    "doi": "10.24435/materialscloud:2018.0002/v1", 
    "status": "published", 
    "title": "Adatom-Induced Local Melting", 
    "mcid": "2018.0002/v1", 
    "license_addendum": null, 
    "_files": [
      {
        "description": "The computed molecular dynamics trajectories of Al(100) surface at different temperatures", 
        "key": "trajectory_xyz_format.zip", 
        "size": 165244017, 
        "checksum": "md5:b9da2caaf4a362ea825b647efc98570a"
      }, 
      {
        "description": "The molecular dynamics movies of the top and second layers of Al(100) surface at different temperatures", 
        "key": "videos.zip", 
        "size": 286933178, 
        "checksum": "md5:fead691f9bffd46af9019f486df2fb67"
      }
    ], 
    "owner": 68, 
    "_oai": {
      "id": "oai:materialscloud.org:25"
    }, 
    "keywords": [
      "First-principles molecular dynamics", 
      "Aluminum", 
      "Surface melting", 
      "Defects", 
      "MARVEL"
    ], 
    "conceptrecid": "24", 
    "is_last": true, 
    "references": [], 
    "publication_date": "Feb 11, 2018, 00:00:00", 
    "license": "Creative Commons Attribution 4.0 International", 
    "id": "25", 
    "description": "We introduce and discuss the phenomenon of adatom-induced surface local melting, using extensive first-principles molecular dynamics simulations of Al(100) taken as a paradigmatic case of a non-premelting surface that nevertheless displays facile adatom diffusion with single and multiple exchange pathways. Here, a single adatom deposited on the surface is sufficient to nucleate a localized and diffusing liquid-like region that remains confined to the surface layer, but with an area that increases with temperature; in the absence of the adatom, the surface instead remains crystalline until reaching the bulk melting temperature.", 
    "version": 1, 
    "contributors": [
      {
        "email": "linh.nguyen@epfl.ch", 
        "affiliations": [
          "Theory and Simulations of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL) Ecole Polytechnique Federale de Lausanne, 1015 Lausanne, Switzerland"
        ], 
        "familyname": "Nguyen", 
        "givennames": "Ngoc Linh"
      }, 
      {
        "affiliations": [
          "Department of Physics, King\u2019s College London, London, UK"
        ], 
        "familyname": "Baletto", 
        "givennames": "Francesca"
      }, 
      {
        "email": "nicola.marzari@epfl.ch", 
        "affiliations": [
          "Theory and Simulations of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL) Ecole Polytechnique Federale de Lausanne, 1015 Lausanne, Switzerland"
        ], 
        "familyname": "Marzari", 
        "givennames": "Nicola"
      }
    ], 
    "edited_by": 98
  }, 
  "updated": "2018-02-11T00:00:00+00:00"
}