Data publication: Examining different regimes of ionization-induced damage in GaN through atomistic simulations
Data publication: Examining different regimes of ionization-induced damage in GaN through atomistic simulations
Sequeira, M.; Djurabekova, F.; Nordlund, K.; Mattei, J.-G.; Monnet, I.; Grygiel, C.; Alves, E.; Lorenz, K.
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.
Keywords: Defects; GaN; Molecular Dynamics; Radiation; Recrystallization; Two-Temperature Model
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- DOI: 10.1002/smll.202102235 references this (Id 35645) publication
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Examining different regimes of ionization-induced damage in GaN through …
ROBIS: 35270 has used this (Id 35645) publication of HZDR-primary research data
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Reseach data in the HZDR data repository RODARE
Publication date: 2022-12-02 Open access
DOI: 10.14278/rodare.1990
Versions: 10.14278/rodare.1991
License: CC-BY-4.0
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Permalink: https://www.hzdr.de/publications/Publ-35645