Thermal Expansion and Diffusion Coefficients of Carbon Nanotube-Polymer Composites

Classical molecular dynamics (MD) simulations employing Brenner potential for intrananotube interactions and Van der Waals forces for polymer-nanotube interfaces are used to invetigate the thermal expansion and diffusion characteristics of carbon nanotube-polyethylene composites.Additions of carbon nanotubes to polymer matrix are found to increase the glass transition temperature T , and thermal expansion and diffusion coefficients in the composite above T .These findings could have implications in CNT composite processing, coating and painting applications.g g