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Deposition of amorphous carbon at different energies modeled with GAP

Caro, Miguel A.


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{
  "description": "<p>These videos show the simulated deposition, one atom at a time, of amorphous carbon (a-C) films. The system is equilibrated to 300 K after each impact and before the next deposition event. Different deposition energies are simulated, from 1 eV to 100 eV. The atoms are deposited onto a preexisting diamond substrate, shown in the 60 eV video; after 2500 depositions at 60 eV, the generated a-C film is used as template to deposit all the other films. The interatomic interactions are modeled with the a-C GAP of Deringer and Cs&aacute;nyi [Phys. Rev. B <strong>95</strong>, 094203 (2017)] interfaced through LAMMPS [http://lammps.sandia.gov]. The visualization is carried out with VMD [http://www.ks.uiuc.edu/Research/vmd] using Axel Kohlmeyer&#39;s TopoTools [DOI:&nbsp;10.5281/zenodo.545655]. For further information, refer to Phys. Rev. Lett.&nbsp;<strong>120</strong>, 166101 (2018) and Phys.&nbsp;Rev.&nbsp;B <strong>102</strong>,&nbsp;174201 (2020).&nbsp;Funding from the Academy of Finland (grants 310574 and 285526) and computational resources from CSC [http://www.csc.fi] are acknowledged.</p>", 
  "license": "https://creativecommons.org/licenses/by-nc/4.0/legalcode", 
  "creator": [
    {
      "affiliation": "Aalto University", 
      "@id": "https://orcid.org/0000-0001-9304-4261", 
      "@type": "Person", 
      "name": "Caro, Miguel A."
    }
  ], 
  "url": "https://zenodo.org/record/1133425", 
  "datePublished": "2017-12-27", 
  "keywords": [
    "molecular dynamics", 
    "amorphous carbon", 
    "machine learning", 
    "interatomic potentials", 
    "thin film growth"
  ], 
  "@context": "https://schema.org/", 
  "identifier": "https://doi.org/10.5281/zenodo.1133425", 
  "@id": "https://doi.org/10.5281/zenodo.1133425", 
  "@type": "MediaObject", 
  "name": "Deposition of amorphous carbon at different energies modeled with GAP"
}
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