September 15, 2020 Video/Audio Open Access

Thermal spike during simulated deposition of tetrahedral amorphous carbon films

Caro, Miguel A.

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

1. A.P. Bartók, M.C. Payne, R. Kondor, and G. Csányi. Phys. Rev. Lett. 104, 136403 (2010).
2. A.P. Bartók, R. Kondor, and G. Csányi. Phys. Rev. B 87, 184115 (2013).
3. V.L. Deringer and G. Csányi. Phys. Rev. B 95, 094203 (2017).
4. M.A. Caro, V.L. Deringer, J. Koskinen, T. Laurila, and G Csányi. Phys. Rev. Lett. 120, 166101 (2018).
5. M.A. Caro, G Csányi, T. Laurila, and V.L. Deringer. arXiv preprint arXiv:2006.09760.
6. http://libatoms.github.io
7. https://lammps.sandia.gov
8. S. Plimpton. J. Comp. Phys., 117, 1 (1995).
9. https://www.ks.uiuc.edu/Research/vmd
10. W. Humphrey, A. Dalke, and K. Schulten. J. Molec. Graphics 14, 33 (1996).
11. http://www.gnuplot.info
12. https://inkscape.org
13. https://ffmpeg.org