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Deposition of amorphous carbon at different energies modeled with GAP

Caro, Miguel A.


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{
  "publisher": "Zenodo", 
  "DOI": "10.5281/zenodo.1133425", 
  "author": [
    {
      "family": "Caro, Miguel A."
    }
  ], 
  "issued": {
    "date-parts": [
      [
        2017, 
        12, 
        27
      ]
    ]
  }, 
  "abstract": "<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>", 
  "title": "Deposition of amorphous carbon at different energies modeled with GAP", 
  "type": "motion_picture", 
  "id": "1133425"
}
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