Molecular dynamics simulation of thermal boundary conductance between carbon nanotubes and SiO2
Year: 2010
Type: article
Abstract: We investigate thermal energy coupling between carbon nanotubes (CNTs) and ${\text{SiO}}_{2}$ with nonequilibrium molecular dynamics simulations. The phonon thermal boundary conductance $(g)$ per CNT unit length is found to scale proportionally with the strength of the van der Waals interaction $(\ensuremath{\sim}\ensuremath{\chi})$, with CNT diameter $(\ensuremath{\sim}D)$, and as power law of temperature ($\ensuremath{\sim}{T}^{1/3}$ between 200 and 600 K). The thermal relaxation time of a single CNT on ${\text{SiO}}_{2}$ is independent of diameter, $\ensuremath{\tau}\ensuremath{\approx}85\text{ }\text{ps}$. With the standard set of parameters $g\ensuremath{\approx}0.1\text{ }\text{W}\text{ }{\text{K}}^{\ensuremath{-}1}\text{ }{\text{m}}^{\ensuremath{-}1}$ for a 1.7 nm diameter CNT at room temperature. Our results are comparable to, and explain the range of experimental values for CNT-${\text{SiO}}_{2}$ thermal coupling from variations in diameter, temperature, or details of the surface interaction strength.
Source: Physical Review B
Authors: Zhun-Yong Ong, Eric Pop
Institution: University of Illinois Urbana-Champaign
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W2020280401