電荷状態を考慮した全原子モデルによる炭素繊維/樹脂の界面特性評価

抄録

Evaluation of the interface strength is important in the design of composite materials such as carbon fiber reinforced plastic (CFRP). Molecular simulation considers aspects such as chemical structures, and can be used to evaluate the interface strength in composites. Therefore, in this study, the interface energies between graphene considering the electric charge state and resin (TriA-X polyimide, DGEBA, Triethylenetetramine, Vinyl ester and PA6) were evaluated via molecular dynamics simulation. First, the interface energy and interface strength obtained using the experiment were compared. Subsequently, R² was calculated using linear approximations from the interface energy and interface strength. Based on this, it was conjectured that there exists a relationship between the interface strength and interface energy. Furthermore, the validity of the magnitude relationship between the interface strength obtained using the experiment and the interface energy obtained using the simulation was evaluated. Moreover, considering graphene oxide, the interface energies between the resin and three forms of graphene (functionalized with OH, COOH, and O groups) were obtained, and the effect of various oxidation surface treatments of graphene on the corresponding interface strengths was discussed.