Video/Audio Open Access

Deposition of amorphous carbon at different energies modeled with GAP

Caro, Miguel A.

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 95, 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. 120, 166101 (2018) and Phys. Rev. B 102, 174201 (2020). Funding from the Academy of Finland (grants 310574 and 285526) and computational resources from CSC [http://www.csc.fi] are acknowledged.

Files (1.3 GB)
Name Size
100eV.avi
md5:1d2fc4518f42dd0561da8360a08caccf 		188.7 MB Download
10eV.avi
md5:c2ab1aa96b9b7d7315a39120f3e814ac 		156.3 MB Download
1eV.avi
md5:9d3277180e9a6cf9f6b6ba01f728d57a 		232.5 MB Download
20eV.avi
md5:5b1d086eeeedd9ee2c98d19ee34b8661 		150.7 MB Download
2eV.avi
md5:cbccd75a6ea2aa0efcd580a31d0f36a9 		208.6 MB Download
5eV.avi
md5:0299821bbc163870239a8d1ce224e367 		174.0 MB Download
60eV.avi
md5:9dc641cebcb972ba445ca809483efa2d 		203.4 MB Download
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Publication date:
December 27, 2017
DOI:
10.5281/zenodo.1133425

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Keyword(s):
molecular dynamics amorphous carbon machine learning interatomic potentials thin film growth
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