Molecular dynamics study of the interfacial strength between carbon fiber and phenolic resin
Molecular dynamics study of the interfacial strength between carbon fiber and phenolic resin
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DOI：
10.1080/09243046.2017.1286543
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发表时间：
2017-01-01
影响因子：
2.9
通讯作者：
Kogo, Yasuo
中科院分区：
文献类型：
--
作者：
Niuchi, Takashi;Koyanagi, Jun;Kogo, Yasuo
采用分子动力学模拟方法研究了碳纤维与酚醛树脂的界面强度，证明了碳纤维增强碳基复合材料（C/C复合材料）的抗拉强度得到了提高。使用两种碳纤维模型进行模拟，其中一种仅具有碳原子，另一种具有碳原子和一些氟化碳基团。碳纤维模型被视为双层石墨，酚醛树脂模型被视为交联结构。所有力场参数均基于Dreiding力场。计算了拉伸应力和界面断裂能，用于估算界面强度。结果表明，在一定的氟化碳包覆率下，含氟化碳基团的模型比仅含碳原子的模型具有更低的界面强度。同样地，在包覆率范围内，氟化碳纤维模型的界面断裂能低于仅含碳原子的碳纤维模型。
The interfacial strength between carbon fiber and phenolic resin is studied using molecular dynamics simulations to demonstrate that carbon fiber-reinforced carbon matrix composites (C/C composites) have improved tensile strength. Simulations are performed using two carbon fiber models, one of which has only carbon atoms and the other has carbon atoms and some fluorinated carbon groups. The carbon fiber models are regarded as two-layer graphite, and the phenolic resin model is treated as cross-linked structures. All force field parameters are based on the Dreiding force field. The tensile stress and interfacial fracture energy are calculated for the estimation of the interfacial strength. The results show that the model including the fluorinated carbon groups has lower interfacial strength than the model having only carbon atoms, up to a certain coating ratio of fluorinated carbon groups. Similarly, within the limits of the coating ratio, the interfacial fracture energy of the fluorinated carbon fiber model is lower than that of carbon fiber model having only carbon atoms.