Thermal transport across carbon nanotubes connected by molecular linkers

Líu, Jùn; Alhashme, Mohamed; Yang, Ronggui

doi:10.1016/j.carbon.2011.10.014

Cited by 39 publications

(24 citation statements)

References 28 publications

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“…The PCFF has been employed to investigate the thermal transport properties in polymeric materials and the obtained results have been found to be in excellent agreement with experimental results. [30][31][32][33][34] The interactions between graphene and polymer, or those between functional group and polymer are van der Waals (vdW) interactions, which are described by the Lenard-Jones (LJ) potential. In this study, the LJ potential parameters of the carbon atoms in graphene are adopted from previous research on the graphene-polymer interfacial thermal transport.…”

Section: Methodsmentioning

confidence: 99%

Effect of Covalent Functionalization on Thermal Transport across Graphene–Polymer Interfaces

et al. 2015

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This Article is concerned with the interfacial thermal resistance for polymer composites reinforced by various covalently functionalized graphene. By using molecular dynamics simulations, the obtained results show that the covalent functionalization in graphene plays a significant role in reducing the graphene−paraffin interfacial thermal resistance. This reduction is dependent on the coverage and type of functional groups. Among the various functional groups, butyl is found to be the most effective one in reducing the interfacial thermal resistance, followed by methyl, phenyl, and formyl. The other functional groups under consideration such as carboxyl, hydroxyl, and amines are found to produce negligible reduction in the interfacial thermal resistance. For multilayer graphene with a layer number up to four, the interfacial thermal resistance is insensitive to the layer number. The effects of the different functional groups and the layer number on the interfacial thermal resistance are also elaborated using the vibrational density of states of the graphene and the paraffin matrix. The present findings provide useful guidelines in the application of functionalized graphene for practical thermal management.

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Section: Methodsmentioning

confidence: 99%

Effect of Covalent Functionalization on Thermal Transport across Graphene–Polymer Interfaces

et al. 2015

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“…Ǻ. This force field has been successfully employed for investigation of thermal conductance/conductivity in several CNTs related studies [35,[43][44][45][46][47][48][49]. The further justification and validation of PCFF force-field is further noted in Supporting Information S5.…”

Section: Simulation Setup: Graphite Nano-ribbonsmentioning

confidence: 99%

Understanding thermal conductance across multi-wall carbon nanotube contacts: Role of nanotube curvature

Varshney

Lee

et al. 2017

Carbon

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Thermal energy transfer at the interconnects in carbon based nanoelectronic devices plays a crucial role towards their performance as well as their reliability. In this study, we investigate such thermal energy transfer across physically interacting multi-wall carbon nanotubes (MWCNTs) as a function of their diameter, length, number of walls, inter-layer chirality differences, and different angular orientation of the cross-contact. Using non-equilibrium molecular dynamics simulations for phonon energy transfer, we predict that MWCNTs' curvature and their number of walls emerge as two critical factors, with each of them determining the limiting value of the thermal conductance across MWCNT contacts in different diameter regimes. For thinner MWCNTs, the curvature determines the limiting value of the conductance and leads to an interesting nonmonotonic character, while the number of walls dominates the contact conductance for large diameter MWCNTs. We discuss their respective origins and distinguish their governing regimes using several arguments -focusing of phonons, and confinement of the phonon focusing cone, large mean free path of graphite-and how they modulate radial thermal transport, leading to observed trends of thermal conductance across MWCNT contacts.

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“…A similar behavior was observed in the case of two bonded parallel CNTs. 42, 43 We should mention that both enhancement factors for the heat transport mentioned above (phonons and collisions) play a role in the enhancement of the transversal thermal conductivity of bridged samples. On one hand, the insertion of an increasing number of bridges increases the heat transport via cross linker phonons.…”

Section: A Influence Of the Cross Linkers On The Transversal Thermalmentioning

confidence: 99%

“…In a more complete study, an increase in the transversal conductance between two CNTs with an increasing number of molecular linkers has been emphasized. 43 The correlation between λ enlargement and the number of linkers, however, was not linear. The latter research also illustrated that the transversal conductance decreases with increasing chain length.…”

Section: Introductionmentioning

confidence: 98%

“…41 In theoretical publications with the aim to improve the transversal heat transport between two parallel CNTs, the influence of bridging units on λ has been studied. 42,43 Varshney et al 42 investigated the transversal thermal conductance between two parallel CNTs bonded by smaller molecular bridges. These authors have verified that the connectivity of the molecular linkers has a considerable impact on the transversal conductance between two parallel CNTs.…”

Section: Introductionmentioning

confidence: 99%

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Transversal thermal transport in single-walled carbon nanotube bundles: Influence of axial stretching and intertube bonding

Gharib-Zahedi

Tafazzoli²,

Böhm³

et al. 2013

The Journal of Chemical Physics

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Using reverse nonequilibrium molecular dynamics simulations the influence of intermolecular bridges on the thermal conductivity (λ) in carbon nanotube (CNT) bundles has been investigated. The chosen cross linkers (CH2, O, CO) strengthen the transversal energy transport relative to the one in CNT bundles without bridges. The results showed that λ does not increase linearly with the linker density. The efficiency of the heat transport is determined by the number of linkers in the direction of the heat flux, the type of the linker, and their spatial ordering. The influence of a forced axial stress on the transversal λ has been also studied. The observed λ reduction with increasing axial stretching in a neat CNT bundle can be (over)compensated by cross linkers. The present computational data emphasize the contribution of phonons to the transversal heat transport in CNT bundles with intertube bonds.

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Thermal transport across carbon nanotubes connected by molecular linkers

Cited by 39 publications

References 28 publications

Effect of Covalent Functionalization on Thermal Transport across Graphene–Polymer Interfaces

Effect of Covalent Functionalization on Thermal Transport across Graphene–Polymer Interfaces

Understanding thermal conductance across multi-wall carbon nanotube contacts: Role of nanotube curvature

Transversal thermal transport in single-walled carbon nanotube bundles: Influence of axial stretching and intertube bonding

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