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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>
      <creatorName>Caro, Miguel A.</creatorName>
      <givenName>Miguel A.</givenName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="">0000-0001-9304-4261</nameIdentifier>
      <affiliation>Aalto University</affiliation>
    <title>Deposition of amorphous carbon at different energies modeled with GAP</title>
    <subject>molecular dynamics</subject>
    <subject>amorphous carbon</subject>
    <subject>machine learning</subject>
    <subject>interatomic potentials</subject>
    <subject>thin film growth</subject>
    <date dateType="Issued">2017-12-27</date>
  <resourceType resourceTypeGeneral="Audiovisual"/>
    <alternateIdentifier alternateIdentifierType="url"></alternateIdentifier>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.5281/zenodo.1133424</relatedIdentifier>
    <rights rightsURI="">Creative Commons Attribution Non Commercial 4.0 International</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
    <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 []. The visualization is carried out with 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 [] are acknowledged.&lt;/p&gt;</description>
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