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ISSN Online: 2377-424X

ISBN Print: 978-1-56700-421-2

International Heat Transfer Conference 15
August, 10-15, 2014, Kyoto, Japan

A Non-equilibrium Molecular Dynamics Study of Thermal Transport in Functionalized Carbon Nanotube/Polymer Nanocomposites

Get access (open in a dialog) DOI: 10.1615/IHTC15.tpp.008835
pages 8963-8974

Abstract

Non-equilibrium molecular dynamics simulations were conducted to investigate effects of covalent functionalization on thermal transport in single- and multi- walled carbon nanotubes and their polymer nanocomposites. Results show that the functionalization degrades the longitudinal thermal conductivities of single- and multi- walled carbon nanotubes in vacuum and their nanocomposites. Compared with single-walled carbon nanotubes, multi-walled carbon nanotubes and their nanocomposites have larger thermal conductivities with help of inner layers to transfer additional heat. The functionalization induced cross-link chemical bonds at interface can significantly reduce both the intrinsic thermal conductivities of carbon nanotubes further and the interfacial thermal resistance until the functionalization degree 0.15. However, the functionalization also enlarges the thermal resistance of the near-interface polymer layer by its density variation.