Thermal conductivity of isolated and interacting carbon nanotubes: comparing results from molecular dynamics and the boltzmann transport equation.
We investigate the thermal conductivity of single-wall carbon nanotubes (SWCNT) either isolated or in contact with external media by using equilibrium molecular dynamics and the Boltzmann transport equation. We show that, contrary to existing controversies, both methods yield a finite value of the thermal conductivity for infinitely long tubes, as opposed to the case of 1D, momentum-conserving systems. Acoustic and flexure modes with mean free paths of the order of a few microns are identified as major contributors to the high value of SWCNT conductivity. We also find that the interaction with an external medium may substantially decrease the lifetime of the low-frequency vibrations, reducing the thermal conductivity by up to 2 orders of magnitude.
Donadio
Davide
D
Department of Chemistry, University of California at Davis, One Shields Avenue, Davis, California 95616, USA. donadio@ucdavis.edu
Galli
Giulia
G
D037742:Nanotubes, Carbon / Q000737:chemistry*; D013816:Thermodynamics
D037742:Nanotubes, Carbon