Atomic-scale computations of the lattice contribution to thermal conductivity of single-walled carbon nanotubes

@inproceedings{Grujicica2014AtomicscaleCO,
  title={Atomic-scale computations of the lattice contribution to thermal conductivity of single-walled carbon nanotubes},
  author={M. Grujicica and G. Caoa and Bonnie Gerstenb},
  year={2014}
}
  • M. Grujicica, G. Caoa, Bonnie Gerstenb
  • Published 2014
The lattice contribution to thermal conductivity of single-walled carbon nanotubes with three different screw symmetry (chirality) is studied using the Green–Kubo relation from linear response theory and molecular dynamics based thermal current auto-correlation functions. The interactions between carbon atoms are analyzed using the Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) potential. The results obtained show that, due to an exponential-decay character of the long-time… CONTINUE READING