Nanoporous carbon structures of different densities generated through GAP molecular dynamics

Beskrivning

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).
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Publiceringsår

2021

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Upphovspersoner

Department of Applied Physics

Miguel A. Caro - Upphovsperson

Yanzhou Wang - Upphovsperson

Zenodo - Utgivare

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Nanoteknologi

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Creative Commons Attribution 4.0 International (CC BY 4.0)

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