Phonon wavepacket scattering dynamics in defective carbon nanotubes

Phonon wavepacket propagation in defective carbon nanotubes has been investigated through molecular dynamics simulations. We have demonstrated that the wavepacket scattering method enable the phonon transmission function of carbon nanotubes to be determined with high accuracy. We have also found that the influence of phonon-defect scattering increases with decreasing tube diameter, especially in the case of high-frequency phonons. These results are in excellent agreement with those obtained by Green's function calculations.