Crystallographic Information Files (CIF) with atomistic models of interacting double-walled carbon nanotubes.
2021-07-19
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2021-08-01
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Crystallographic Information Files (CIF) with atomistic models of interacting double-walled carbon nanotubes.
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2021-07-19
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Dumitrica, Traian
dtraian@umn.edu
dtraian@umn.edu
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Abstract
The dataset provides Crystallographic Information Files (CIF) atomistic models of interacting double-walled carbon nanotubes diameter monodisperse and different mean diameter and standard deviations. These models can be used to reproduce Figures 6-10 of the referenced paper. The files can be visualized with molecular visualizers like OVITO and JMOL.
Description
Crystallographic Information Files (CIF) with atomistic models of interacting double-walled carbon nanotubes. The interatomic interactions are described with COMPASSII model.
Referenced by
Xu, H., Drozdov, G., Park, J. G., Jensen, B. D., Wise, K. E., Liang, Z., Odegard, G.M., Siochi, E.J., & Dumitrică, T. (2021). Computationally Guided Design of Large-Diameter Carbon Nanotube Bundles for High-Strength Materials. ACS Applied Nano Materials 4, 10, 11115–11125.
https://doi.org/10.1021/acsanm.1c02582
https://doi.org/10.1021/acsanm.1c02582
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Institute for Ultra-Strong Composites by Computational Design NASA NNX17AJ32G
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Dumitrica, Traian. (2021). Crystallographic Information Files (CIF) with atomistic models of interacting double-walled carbon nanotubes.. Retrieved from the Data Repository for the University of Minnesota (DRUM), https://doi.org/10.13020/te7k-j521.
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