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

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

2009-10-14

arxiv.org/abs/0910.2747v2

Phys. Rev. B 81, 155408 (2010)

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

Scientific paper

10.1103/PhysRevB.81.155408

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.

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