Abstract
In this work, formation of single wall carbon nanotubes is investigated by molecular dynamics (MD) simulations. The utilized MD code uses Brenner potential with Nordlund's long range interaction correction. Simulations include annealing and quenching processes of the sample graphite consisting of 4 armchair edged graphene layers with 1920 atoms. Breaking and bonding of carbon atoms are observed by calculating sp2 and sp3 bonding ratios for various temperatures and quenching rates. Single wall nanotubes with some connecting corridors between them are observed at higher temperatures starting from 1600 K and discussed.
Original language | English |
---|---|
Pages (from-to) | 2327-2330 |
Number of pages | 4 |
Journal | Journal of Computational and Theoretical Nanoscience |
Volume | 8 |
Issue number | 11 |
DOIs | |
Publication status | Published - Nov 2011 |
Keywords
- Brenner potential
- Carbon nanotubes
- Graphite
- Molecular dynamics
- Storage device
- Thermal process