Abstract
In this study, the mechanical behavior of epoxy/carbon nanotubes (CNTs) nanocomposite is predicated by a two-scale modeling approach. At the nanoscale, a CNT, the interface between the CNT and the matrix and a layer of the matrix around the CNT are modeled and the elastic behavior of the equivalent fiber (EF) has been identified. The CNT/epoxy interface behavior is modeled by the Park–Paulino–Roesler (PPR) potential. At the microscale, the EFs are embedded in the matrix with the extracted elastic properties from the nanoscale model. The random pattern has been used for the dispersing of EFs in the representative volume element (RVE). The effect of CNTs agglomeration in the epoxy matrix has also been investigated at the micro level. The Young’s modulus of the nanocomposite was extracted from simulation of the RVE. CNT/epoxy nanocomposites at four different volume fractions were manufactured and the modeling results were validated by tensile tests. The results of the numerical models are in good agreement with the experiments and micromechanics theory, and by considering agglomeration of CNT in the model, the modeling results match with the experiments.
Highlights
The use of polymer matrix composites in recent years has been growing dramatically
For a volume fraction of 1%, which is most effective against agglomeration, the effect of the ratio of nanotubes aggregated to the whole nanotube in representative volume element (RVE) is investigated in four states of 25%, 50%, 75%, and 100%
The FEA simulation results are compared with Halpin–Tsai model defined in Equations (A5)–(A9) in Appendix B, along with the experimental results
Summary
The use of polymer matrix composites in recent years has been growing dramatically. The recent development of nanotechnology and incorporation of nanoparticles in polymer matrix resulted in new generation of nanocomposites with enhanced properties. The use of FEM is superior to the molecular dynamics in terms of solution time, but considering the interface as a continuum medium with homogeneous properties without modeling the interatomic potential of the van der Waals forces is not consistent with the actual behavior of the material. Liu and Chen [16,17] modeled the cylindrical and cubic RVE of nanocomposite using the FEM, assuming prefect bond at the interfacial phase They considered this volumetric element as reinforcement and used the rule-of-mixtures (ROM); the results were compared with the experiments showing that the mechanical properties of the volumetric element created by this method could be reliable. Shojaie and Golestanian [20] considered a cubic RVE containing a CNT They simulated the interface as a thin film with elastic properties and compared the results with those of micromechanics. The simulation results are compared with the experimental results as well as with the results from the Halpin–Tsai model [29,30]
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