Dataset Open Access
Nanoporous carbon structures of different densities generated through GAP molecular dynamics
Wang, Yanzhou;
Caro, Miguel A.
These nanoporous (NP) carbon atomic structures, in extendend XYZ format, have been generated using a melt-graphitization-quench molecular dynamics (MD) protocol using a Gaussian interatomic potential (GAP) for amorphous carbon [1]. Simulation details and characterization of structural and mechanical properties will follow shortly in a scientific paper.
References
[1] M.A. Caro. GAP interatomic potential for amorphous carbon (2.0) [Data set]. Zenodo, 10.5281/zenodo.5243184 (2021).
Files
(126.8 MB)
| Name | Size | |
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NP_samples.tar.gz
md5:8022c5f2c410bc1438d285ba792f2a33 |
126.8 MB | Download |
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| All versions | This version | |
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| Views | 126 | 126 |
| Downloads | 24 | 24 |
| Data volume | 3.0 GB | 3.0 GB |
| Unique views | 119 | 119 |
| Unique downloads | 23 | 23 |
Indexed in
- Publication date:
- September 16, 2021
- DOI:
-
- Grants:
-
Academy of Finland:
-
Next-generation interatomic potentials to simulate new cellulose-based materials (NEXTCELL) (330488)
- Towards accurate computational experimentation (COMPEX): machine-learning-driven simulation of nanocarbon synthesis (321713)
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Next-generation interatomic potentials to simulate new cellulose-based materials (NEXTCELL) (330488)
- License (for files):
- Creative Commons Attribution 4.0 International