Deposition of amorphous carbon at different energies modeled with GAP
<p>These videos show the simulated deposition, one atom at a time, of amorphous carbon (a-C) films. The system is equilibrated to 300 K after each impact and before the next deposition event. Different deposition energies are simulated, from 1 eV to 100 eV. The atoms are deposited onto a preexisting diamond substrate, shown in the 60 eV video; after 2500 depositions at 60 eV, the generated a-C film is used as template to deposit all the other films. The interatomic interactions are modeled with the a-C GAP of Deringer and Csányi [Phys. Rev. B <strong>95</strong>, 094203 (2017)] interfaced through LAMMPS [http://lammps.sandia.gov]. The visualization is carried out with VMD [http://www.ks.uiuc.edu/Research/vmd] using Axel Kohlmeyer's TopoTools [DOI: 10.5281/zenodo.545655]. For further information, refer to Phys. Rev. Lett. <strong>120</strong>, 166101 (2018) and Phys. Rev. B <strong>102</strong>, 174201 (2020). Funding from the Academy of Finland (grants 310574 and 285526) and computational resources from CSC [http://www.csc.fi] are acknowledged.</p>
ShareScore
32/100
Overall dataset sharing score
Score breakdown
These five areas show where the dataset supports — or may limit — practical reuse.
- Stewardship
- 8
- Harmonization
- 4
- Access
- 12
- Reuse readiness
- 8
- Engagement
- 0
Topics
Dataset details
- Repository
- zenodo
- Published
- December 26, 2017
- License
- cc-by-nc-4.0
- DOI
- 10.5281/zenodo.1133424
Scored with release 0.9.0
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