Effect of temperature and functionalization on the interfacial properties of CNT reinforced nanocomposites

This paper presents a study of the interfacial characteristics in a SWCNT/epoxy nanocomposites system using Molecular dynamics simulations. Interaction energy at the interface of SWCNT and matrix and interfacial shear strength (IFSS) is calculated. Effects of temperature and functionalization with different functional groups (Amide and Phenyl) and their distribution on the interfacial properties of nanocomposites are studied. The Interaction energy is used to calculate the interfacial stiffness in case of Pristine CNT/epoxy system. Pull out simulation of the CNT is performed to characterize the IFSS. The results suggested the existence of attractive interface between CNT and the epoxy for all the cases analyzed. The Interaction energy increases with decrease in temperature and decreases with increase in temperature from the room temperature. Functionalization of CNTs increases the interaction when compared with the pristine one which further increases with degree of functionalization. The IFSS decreases with temperature in case of pristine CNTs and increases with functionalization.