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Molecular dynamics simulation of thermal boundary conductance between carbon nanotubes andSiO2
Open accessAbstract
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.
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Metadata
- Authors
- Ong, Z.-Y., & Pop, E.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2010-04-05
- Volume
- 81
- Issue
- 15
- ISSN
- 1098-0121 (ISSN-L)
- 1550-235X
- OpenAlex
- W2020280401
- Cited by
- 288
- References
- 36
- FWCI
- 12.36
- Type
- journal article
- Language
- en
- Open access
- green
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