Dataset for "Computationally-Guided Design of Large-Diameter Carbon Nanotube Bundles
for High Strength Materials, by Hao Xu, Grigorii Drozdov, Jin Gyu Park, Benjamin D. Jensen, Kristopher E. Wise, Zhiyong Liang, Gregory Odegar, Emilie J. Siochi, and Traian Dumitrică (manuscript under review).
Crystallographic Information Files (CIF) with atomistic models of interacting double-walled carbon nanotubes. The interatomic interactions are described with COMPASSII model.
Institute for Ultra-Strong Composites by Computational Design NASA NNX17AJ32G
Onuoha, C., Drozdov, G., Liang, Z., Odegard, G.M., Siochi, E.J., & Dumitricǎ, T. (2020). Computational Investigation of Large-Diameter Carbon Nanotubes in Bundles for High-Strength Materials. ACS Applied Nano Materials, 3(6), 5014-5018.
(2021). Crystallographic Information Files (CIF) with atomistic models of interacting double-walled carbon nanotubes..
Retrieved from the Data Repository for the University of Minnesota,