Published September 15, 2020
| Version v1
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Thermal spike during simulated deposition of tetrahedral amorphous carbon films
Description
These videos show the thermal spike arising from a 100 eV C atom impinging on a growing tetrahedral amorphous carbon film, as simulated with a GAP potential [1,2,3] following the deposition protocol and methodology outlined by Caro et al. [4,5]. The molecular dynamics simulations (MD) were carried out with QUIP's GAP implementation [6] using LAMMPS [7,8] as MD engine. The atomic visualization was carried out with VMD [9,10]. The final videos were composed using, in addition, the following software: gnuplot [11], Inkscape [12] and FFmpeg [13].
References
- A.P. Bartók, M.C. Payne, R. Kondor, and G. Csányi. Phys. Rev. Lett. 104, 136403 (2010).
- A.P. Bartók, R. Kondor, and G. Csányi. Phys. Rev. B 87, 184115 (2013).
- V.L. Deringer and G. Csányi. Phys. Rev. B 95, 094203 (2017).
- M.A. Caro, V.L. Deringer, J. Koskinen, T. Laurila, and G Csányi. Phys. Rev. Lett. 120, 166101 (2018).
- M.A. Caro, G Csányi, T. Laurila, and V.L. Deringer. Phys. Rev. B 102, 174201 (2020).
- http://libatoms.github.io
- https://lammps.sandia.gov
- S. Plimpton. J. Comp. Phys., 117, 1 (1995).
- https://www.ks.uiuc.edu/Research/vmd
- W. Humphrey, A. Dalke, and K. Schulten. J. Molec. Graphics 14, 33 (1996).
- http://www.gnuplot.info
- https://inkscape.org
- https://ffmpeg.org
Files
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md5:d2d0b5a2a800fae01159f60fe94b3a5f
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78.7 MB | Download |
md5:32f722d9ea826688125d78e3eea85b5a
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38.6 MB | Download |
Additional details
Funding
- Accurate computational electrochemistry from density functional theory and multiscale atomistic simulations 310574
- Research Council of Finland