Investigating the influence of bonded and non-bonded interactions on the interfacial bonding between carbon nanotube and polymer

Abstract

CNT-polymer interaction plays a crucial role in defining the efficiency of CNT for reinforcing polymer. So, it is in high demand to investigate the influence of interfacial interactions on the load transferring issue from matrix to CNT. In this research, pull-out simulations are carried out numerically on both normal and functionalized CNTs to examine the influence of non-bonded and also bonded interactions at the interface between CNT and polymer. A multi-scale finite element modeling is performed in the context of semi-continuum modeling to simulate the pull-out process of CNT from matrix and experienced interfacial shear strength is analyzed. Firstly, a CNT interacting with polymer through the pure non-bonded interaction is investigated and then the influence of bonded cross-links between CNT and polymer in conjunction with non-bonded interaction is simulated. Comparing the obtained results with available experimental data and also reported results with molecular dynamics simulation in literature, a good agreement is observed which implies on the proper performance of semi-continuum modeling as a compromise to atomistic modeling techniques.