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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<oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
  <dc:creator>Sequeira, Miguel</dc:creator>
  <dc:creator>Djurabekova, Flyura</dc:creator>
  <dc:creator>Nordlund, Kai</dc:creator>
  <dc:creator>Mattei, Jean-Gabriel</dc:creator>
  <dc:creator>Monnet, Isabelle</dc:creator>
  <dc:creator>Grygiel, Clara</dc:creator>
  <dc:creator>Alves, Eduardo</dc:creator>
  <dc:creator>Lorenz, Katharina</dc:creator>
  <dc:date>2022-12-02</dc:date>
  <dc:description>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:

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. https://doi.org/10.1002/smll.202102235

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.</dc:description>
  <dc:identifier>https://rodare.hzdr.de/record/1991</dc:identifier>
  <dc:identifier>10.14278/rodare.1991</dc:identifier>
  <dc:identifier>oai:rodare.hzdr.de:1991</dc:identifier>
  <dc:relation>doi:10.1002/smll.202102235</dc:relation>
  <dc:relation>url:https://www.hzdr.de/publications/Publ-35645</dc:relation>
  <dc:relation>url:https://www.hzdr.de/publications/Publ-35270</dc:relation>
  <dc:relation>doi:10.14278/rodare.1990</dc:relation>
  <dc:relation>url:https://rodare.hzdr.de/communities/fwi</dc:relation>
  <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
  <dc:subject>Defects</dc:subject>
  <dc:subject>GaN</dc:subject>
  <dc:subject>Molecular Dynamics</dc:subject>
  <dc:subject>Radiation</dc:subject>
  <dc:subject>Recrystallization</dc:subject>
  <dc:subject>Two-Temperature Model</dc:subject>
  <dc:title>Data publication: Examining different regimes of ionization-induced damage in GaN through atomistic simulations</dc:title>
  <dc:type>info:eu-repo/semantics/other</dc:type>
  <dc:type>dataset</dc:type>
</oai_dc:dc>