Journal
NANO LETTERS
Volume 2, Issue 6, Pages 647-650Publisher
AMER CHEMICAL SOC
DOI: 10.1021/nl025554+
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Classical molecular dynamics (MD) simulations employing Brenner potential for intra-nanotube interactions and van der Waals forces for polymer-nanotube interface are used to investigate the thermal expansion and diffusion characteristics of carbon nanotube-polyethylene composites. Additions of carbon nanotubes to a polymer matrix are found to increase the glass transition temperature T-g, and thermal expansion and diffusion coefficients in the composite above T-g. These findings could have implications in CNT composite processing, coating and painting applications.
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