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Data publication: Examining different regimes of ionization-induced damage in GaN through atomistic simulations

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

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    <dct:title>Data publication: Examining different regimes of ionization-induced damage in GaN through atomistic simulations</dct:title>
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    <dcat:keyword>Defects</dcat:keyword>
    <dcat:keyword>GaN</dcat:keyword>
    <dcat:keyword>Molecular Dynamics</dcat:keyword>
    <dcat:keyword>Radiation</dcat:keyword>
    <dcat:keyword>Recrystallization</dcat:keyword>
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    <dct:description>&lt;p&gt;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:&lt;/p&gt; &lt;p&gt;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. &lt;a href="http://doi.org/10.1002/smll.202102235"&gt;https://doi.org/10.1002/smll.202102235&lt;/a&gt;&lt;/p&gt; &lt;p&gt;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.&lt;/p&gt;</dct:description>
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Publication date:
December 2, 2022
DOI:
10.14278/rodare.1991

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10.14278/rodare.1991

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Keyword(s):
Defects GaN Molecular Dynamics Radiation Recrystallization Two-Temperature Model
Related identifiers:
Identical to:
https://www.hzdr.de/publications/Publ-35645
Referenced by:
10.1002/smll.202102235, https://www.hzdr.de/publications/Publ-35270
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