Tensile test analysis of carbon fiber composite material by molecular dynamics simulation

In this study, the authors investigate the tensile strength at a carbon fiber/epoxy resin interface using molecular dynamics (MD) simulations. The simulated tension speed and strength were initially estimated, and a realistic tension speed was subsequently selected. The tensile strength calculated using the simulations was in good agreement with the experimental data. Based on the present study and our previous work, the factors contributing to the tensile strength of composite materials were investigated and analyzed. The surface energy between the graphene sheet and resin as well as the molecular structure of the resin in the vicinity of graphene was shown to significantly affect the tensile strength. In addition, the applicability of MD simulation as a useful tool for the prediction and analysis of composite materials was demonstrated. This work used graphene sheets as carbon fiber because it is difficult to express the real carbon fiber for simulation model.