Abstract
The following article investigates the interface thermal conductance in a functionalized CNT-epoxy composite system and how does it change with respect to the nature of the surrounding matrix. We have used non-equilibrium molecular dynamics simulations to study the interface thermal conductance in both cured as well as uncured matrix, based on EPON-862 and curing agent-W (DETDA). The functionalization is modeled using a dynamic cross-linking algorithm and represents a realistic model of matrix-ller interface. Our results suggest that the thermal interface conductance increases linearly with the degree of functionalization up to studied 2.5%. In addition, we found that curing of the matrix increases the interface conductance by 20% relative to uncured matrix. It is attributed to relative enhancement in non-bonded interactions (originating from volume reduction) and structural rigidity during curing.
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