Dataset Open Access
Sequeira, Miguel;
Djurabekova, Flyura;
Nordlund, Kai;
Mattei, Jean-Gabriel;
Monnet, Isabelle;
Grygiel, Clara;
Alves, Eduardo;
Lorenz, Katharina
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.
Name | Size | |
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035Xe.zip
md5:1e11feb1e617d9a3c3161d45a0c1643b |
24.1 GB | Download |
043Xe.zip
md5:b4080b14d07c9c6c2a993227ee8149ba |
22.9 GB | Download |
054Xe.zip
md5:70e1f89e88c78f8eb54e0897f2a19e3e |
2.5 GB | Download |
06Pb.zip
md5:306efebc4da8b1e7c67d81ac003cd5b8 |
11.7 GB | Download |
38U.zip
md5:46a30199cb35c1a1092a9f8d23b6a1c9 |
26.6 GB | Download |
58Pb.zip
md5:1077b025c9f447cc62c53fc4aca6c88d |
28.1 GB | Download |
All versions | This version | |
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Views | 820 | 820 |
Downloads | 2,015 | 2,015 |
Data volume | 35.5 TB | 35.5 TB |
Unique views | 405 | 405 |
Unique downloads | 113 | 113 |
Sequeira, Miguel, Djurabekova, Flyura, Nordlund, Kai, Mattei, Jean-Gabriel, Monnet, Isabelle, Grygiel, Clara, … Lorenz, Katharina. (2022). Data publication: Examining different regimes of ionization-induced damage in GaN through atomistic simulations [Data set]. Rodare. http://doi.org/10.14278/rodare.1991