Molecular dynamics simulation of single wall carbon nanotubes polymerization under compression

@article{Braga2007MolecularDS,
  title={Molecular dynamics simulation of single wall carbon nanotubes polymerization under compression},
  author={Scheila Furtado Braga and Douglas Soares Galv{\~a}o},
  journal={Journal of computational chemistry},
  year={2007},
  volume={28 10},
  pages={1724-34}
}
Single wall carbon nanotubes (SWCNTs) often aggregate into bundles of hundreds of weakly interacting tubes. Their cross-polymerization opens new possibilities for the creation of new super-hard materials. New mechanical and electronic properties are expected from these condensed structures, as well as novel potential applications. Previous theoretical… CONTINUE READING