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Deposition of amorphous carbon at different energies modeled with GAP

Caro, Miguel A.


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  <identifier identifierType="DOI">10.5281/zenodo.1133425</identifier>
  <creators>
    <creator>
      <creatorName>Caro, Miguel A.</creatorName>
      <givenName>Miguel A.</givenName>
      <familyName>Caro</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0001-9304-4261</nameIdentifier>
      <affiliation>Aalto University</affiliation>
    </creator>
  </creators>
  <titles>
    <title>Deposition of amorphous carbon at different energies modeled with GAP</title>
  </titles>
  <publisher>Zenodo</publisher>
  <publicationYear>2017</publicationYear>
  <subjects>
    <subject>molecular dynamics</subject>
    <subject>amorphous carbon</subject>
    <subject>machine learning</subject>
    <subject>interatomic potentials</subject>
    <subject>thin film growth</subject>
  </subjects>
  <dates>
    <date dateType="Issued">2017-12-27</date>
  </dates>
  <resourceType resourceTypeGeneral="Audiovisual"/>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://zenodo.org/record/1133425</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.5281/zenodo.1133424</relatedIdentifier>
  </relatedIdentifiers>
  <rightsList>
    <rights rightsURI="https://creativecommons.org/licenses/by-nc/4.0/legalcode">Creative Commons Attribution Non Commercial 4.0 International</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">&lt;p&gt;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&amp;aacute;nyi [Phys. Rev. B &lt;strong&gt;95&lt;/strong&gt;, 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&amp;#39;s TopoTools [DOI:&amp;nbsp;10.5281/zenodo.545655]. For further information, refer to Phys. Rev. Lett.&amp;nbsp;&lt;strong&gt;120&lt;/strong&gt;, 166101 (2018) and Phys.&amp;nbsp;Rev.&amp;nbsp;B &lt;strong&gt;102&lt;/strong&gt;,&amp;nbsp;174201 (2020).&amp;nbsp;Funding from the Academy of Finland (grants 310574 and 285526) and computational resources from CSC [http://www.csc.fi] are acknowledged.&lt;/p&gt;</description>
  </descriptions>
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