Abstract
The pullout process of graphene from an epoxy/graphene composite filled with a carbon nanotube (CNT) was simulated by molecular dynamics simulations. The interaction energy and the interfacial adhesion energy were calculated to analyze the effect of CNT addition on the interfacial adhesion between the graphene and the epoxy matrix, with varying CNT radii, distances between the CNT and the graphene sheet, CNT axial directions, and the number of CNT walls. Generally, the addition of a CNT strengthens the interfacial adhesion between the graphene and the polymer matrix. Firstly, a larger CNT radius induces a stronger interfacial adhesion of graphene with the matrix. Secondly, when the CNT is farther away from the graphene sheet, the interfacial adhesion of graphene with the matrix becomes weaker. Thirdly, the CNT axial direction has little effect on the interfacial adhesion of graphene in the equilibrium structure. However, it plays an important role in the graphene pullout process. Finally, compared with a single-walled CNT, the interfacial adhesion between graphene and the matrix is stronger when a double-walled CNT is added to the matrix.
Highlights
In recent years, carbon nanotubes (CNT) and graphene have attracted significant attention due to their excellent mechanical, electrical, and thermal properties
We studied the effect of the CNT radius, the distance between the CNT and the graphene sheet, the CNT axial direction and the number of CNT walls on the interfacial adhesion between the graphene sheet and the epoxy matrix
Effect of the CNT Radius to study the effect of CNT radius on the interfacial adhesion between graphene and polymer matrix
Summary
Shuangqing Sun 1,2 , Shenghui Chen 3, *, Xuanzhou Weng 1 , Fei Shan 1 and Songqing Hu 1,2, *. Received: 24 November 2018; Accepted: 9 January 2019; Published: 11 January 2019
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