The surface modification effect on the interfacial properties of glass fiber-reinforced epoxy: A molecular dynamics study

Abstract In this work, the effect of common functional groups, namely hydroxyl, formyl, carboxyl, and amine groups on interfacial behavior surface-modified glass fiber-reinforced epoxy is investigated at molecular scale. The properties epoxy/silica coated with different group systems are quantified by performing pulling test using steered dynamics simulations. It found that system hydroxyl has a relatively lower interaction, exhibiting an adhesive failure mode. When partial replaced amine, formyl respectively, interactions increased these exhibit cohesive mode where happens in close to interface. A higher force required for debonding, while more energy can be dissipated debonding. Because prevent mobility polymer chains, delay propagation micropores matrix, leading matrix high ability absorption. Our work provides insight into how affect interface debonding epoxy, offering guideline control such composites through surface modification techniques.