December 2, 2022 Dataset Open Access

Sequeira, Miguel; Djurabekova, Flyura; Nordlund, Kai; Mattei, Jean-Gabriel; Monnet, Isabelle; Grygiel, Clara; Alves, Eduardo; Lorenz, Katharina

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  "identifier": "https://doi.org/10.14278/rodare.1991", 
  "@id": "https://doi.org/10.14278/rodare.1991", 
  "name": "Data publication: Examining different regimes of ionization-induced damage in GaN through atomistic simulations", 
  "datePublished": "2022-12-02", 
  "url": "https://rodare.hzdr.de/record/1991", 
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  "@type": "Dataset", 
  "sameAs": [
    "https://www.hzdr.de/publications/Publ-35645"
  ], 
  "description": "<p>Two Temperature Model - Molecular Dynamics (TTM-MD) simulations describing the interaction of Swift Heavy Ions (0.35-0.54 MeV/amu Xe, 0.6 and 5.8 MeV/amu Pb, and 3.8 MeV/amu U ions. The simulations are discussed in:</p>\n\n<p>Sequeira, M. C., Djurabekova, F., Nordlund, K., Mattei, J.-G., Monnet, I., Grygiel, C., Alves, E., Lorenz, K., Examining Different Regimes of Ionization-Induced Damage in GaN Through Atomistic Simulations. Small 2022, 2102235. <a href=\"http://doi.org/10.1002/smll.202102235\">https://doi.org/10.1002/smll.202102235</a></p>\n\n<p>Each zip file contains the input and output corresponding to each ion simulation. The input and output files are those used and generated by PARCAS 5.22 (https://gitlab.com/acclab/parcas). The radial energy profile deposited by the ion, as calculated within the TTM, can be found in the in/track.in file. The file contains two columns: one with the distance to the ion trajectory (in Angstrom) and another with the energy per atom (in eV/atom). For additional information on the simulations (e.g. bulk vs surface), please refer to the methods section of the reference above.</p>", 
  "license": "https://creativecommons.org/licenses/by/4.0/legalcode", 
  "keywords": [
    "Defects", 
    "GaN", 
    "Molecular Dynamics", 
    "Radiation", 
    "Recrystallization", 
    "Two-Temperature Model"
  ], 
  "creator": [
    {
      "name": "Sequeira, Miguel", 
      "@type": "Person", 
      "@id": "https://orcid.org/0000-0002-0389-6143"
    }, 
    {
      "affiliation": "Department of Physics, University of Helsinki, Helsinki, Finland", 
      "name": "Djurabekova, Flyura", 
      "@type": "Person"
    }, 
    {
      "affiliation": "Department of Physics, University of Helsinki, Helsinki, Finland", 
      "name": "Nordlund, Kai", 
      "@type": "Person"
    }, 
    {
      "affiliation": "CIMAP, Normandie University, CEA, CNRS, UNICAEN, ENSICAEN-BP5133, Caen Cedex 5, France", 
      "name": "Mattei, Jean-Gabriel", 
      "@type": "Person"
    }, 
    {
      "affiliation": "CIMAP, Normandie University, CEA, CNRS, UNICAEN, ENSICAEN-BP5133, Caen Cedex 5, France", 
      "name": "Monnet, Isabelle", 
      "@type": "Person"
    }, 
    {
      "affiliation": "CIMAP, Normandie University, CEA, CNRS, UNICAEN, ENSICAEN-BP5133, Caen Cedex 5, France", 
      "name": "Grygiel, Clara", 
      "@type": "Person"
    }, 
    {
      "affiliation": "IPFN, Instituto Superior T\u00e9cnico, Campus Tecnol\u00f3gico e Nuclear, Lisbon, Portugal", 
      "name": "Alves, Eduardo", 
      "@type": "Person"
    }, 
    {
      "affiliation": "INESC MN, Rua Alves Redol 9, 1000-029 Lisbon, Portugal", 
      "name": "Lorenz, Katharina", 
      "@type": "Person"
    }
  ]
}