Abstract
The interfacial strength between carbon and phenolic resin is studied by using molecular dynamics simulations in order that carbon reinforced carbon matrix composites (C/C composites) has better the tensile strength. Simulations are performed by two carbon fiber models, one of which has only carbon atoms and the other has carbon atoms and some fluorinated carbon groups. Carbon fiber models are regarded as two-layer graphite and phenolic resin model is treated as cross linked structures. All force field parameters are based on Dreiding force field. Tensile stress and interfacial fracture energy are calculated for the estimation of interfacial strength. Results of the model including fluorinated carbon groups get lower interfacial strength than that of having only carbon atoms up to a certain coating ratio of fluorinated carbon groups. In the same way, within the limits of coating ratio, it shows that interfacial fracture energy of fluorinated carbon fiber model becomes lower than that of carbon fiber model having only carbon atoms.
