Abstract

Herein, we used theoretical and experimental methods to investigate the shear fracture strengths of carbon fiber/epoxy resin interfaces. The shear strengths of carbon fiber and epoxy resin were measured using the microdroplet test, whereas interaction and binding energies were estimated using Ab initio and molecular dynamics methods. However, binding energies did not impact the shear strength volumes determined by microdroplet tests, i.e., bonds between functional groups of the carbon filer and the epoxy resin were difficult to break. On the other hand, the interaction energies calculated for epoxy monomers were in good agreement with experimental data. Moreover, we determined the relationship between the simulated interaction energy and the shear fracture strength volume obtained using the microdroplet test.

Highlights

  • Lightweight high-strength materials used in the aerospace industry have recently found automotive applications, as exemplified by the growing popularity of polymer composites [1] [2] containing dispersed carbon nanotubes (CNTs)

  • It might be a good idea to estimate the adhesion between graphene and epoxy matrix layers based on the physical properties of the epoxy resin because it is inferred that the carbon composites contain the surface epoxy resin that interacts with carbon graphene and the bulk epoxy resin

  • Since the above simulations did not investigate the physical properties of the epoxy resin or corresponding monomers, this work employed numerical simulations to evaluate the physical properties of epoxy monomers and the energies of their binding to carbon fibers, determining the optimal structures of these mechanical composites

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Summary

Introduction

Lightweight high-strength materials used in the aerospace industry have recently found automotive applications, as exemplified by the growing popularity of polymer composites [1] [2] containing dispersed carbon nanotubes (CNTs). These composites, exhibiting high strength-to-weight ratios, were investigated by quantum chemical calculations and molecular dynamics (MD) simulations to elucidate the underlying reasons of their superior properties. Salahoor et al elucidated the mechanism of adhesion between graphene and epoxy matrix layers and determined the corresponding interfacial fracture energy [10]. Estimating the mechanism of adhesion between graphene and epoxy matrix layers is important for analyses of the detachment force. Simulations were performed using Ab initio and MD methods, and the obtained results were compared with those of microdroplet tests

Materials
Calculations
Microdroplet Test
Conclusion

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