THERMAL TRANSPORT PROPERTIES AND INTERFACE EFFECTS OF CARBON NANOSTRUCTURES

The variations in thermal conductivity of nanocomposites are found to depend not only the intrinsic properties of the fiber and matrix phases but also on the interfacial resistance of the reinforcing phase. As we go down the length scales, the interfacial thermal resistance due to size of the nanoparticle becomes significant. In order to address the effect of size (length and diameter) of nanotube on the thermal transport property of nanotube composites, thermal conductivity of different nanotube samples varying in length and diameter will be estimated first using molecular dynamic (MD) simulations with AIREBO potentials. This will be carried out using the 'Heat-Bath' method- non-equilibrium molecular dynamics (NEMD) approach. In the heat bath method, constant amount of heat is added to and removed from the hot and cold regions and the resulting temperature gradient is measured and the thermal conductivity is calculated using the Fourier Law. This will be followed by the study of interfacial thermal resistance of these nanostructures. These intrinsic properties are then used with continuum based mathematical formulations to study the effect of size of the nanoparticle on the overall thermal conductivity of the nanocomposite.