Atomistic Models of Carbon Fibre Composites and their Interface Properties

This thesis used atomistic computer simulations to elucidate structure-property relationships of the carbon fibre composite interface. Novel models of the carbon fibre surface featuring intrinsic nanoscale rough were developed. These models were used in simulations of the carbon fibre-polymer interface to elucidate the impact of nanoscale roughness on the composite properties, and the interplay between roughness and surface oxidation.