English

Molecular Dynamics Simulation of Thermal Boundary Conductance Between Carbon Nanotubes and SiO2

Mesoscale and Nanoscale Physics 2010-05-18 v2 Materials Science

Abstract

We investigate thermal energy coupling between carbon nanotubes (CNTs) and SiO2 with non-equilibrium molecular dynamics simulations. The thermal boundary conductance (g) per unit CNT length is found to scale proportionally with the strength of the Van der Waals interaction (~X), with CNT diameter (~D), and as a weak power law of temperature (~T^1/3 between 200-600 K). The thermal relaxation time of a single CNT on SiO2 is independent of diameter, tau ~ 85 ps. With the standard set of parameters g ~ 0.1 W/m/K for a 1.7 nm diameter CNT at room temperature. Our results are comparable to, and explain the range of experimental values for CNT-SiO2 thermal coupling from variations in diameter, temperature, or details of the surface interaction strength.

Keywords

Cite

@article{arxiv.0910.2747,
  title  = {Molecular Dynamics Simulation of Thermal Boundary Conductance Between Carbon Nanotubes and SiO2},
  author = {Zhun-Yong Ong and Eric Pop},
  journal= {arXiv preprint arXiv:0910.2747},
  year   = {2010}
}