Dataset Open Access

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

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.

Files (115.9 GB)
Name Size
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
494
1,872
views
downloads
All versions This version
Views 494494
Downloads 1,8721,872
Data volume 32.9 TB32.9 TB
Unique views 127127
Unique downloads 6262

Share

Cite as