Molecular Simulation of the Interfacial Properties of an Epoxy Composite Reinforced Using a Carbon Nanotube/Carbon Fiber Hybrid
Molecular simulations of the interfacial properties of (1) a composite with an epoxy(EP) matrix and a carbon nanotube(CNT)/carbon fiber(CF) multi-scale reinforcement and (2) a traditional CF/EP composite were performed employing Materials Studio 4.0 software. Results indicate that the interfacial atom concentration of material 1 is higher that that of material 2 by interfacial molecular structure analysis, and there are many benzene rings in both material 1 and material 2 which are parallel to the crystal layers of CF. The contact layer thickness of material 1 and material 2 is 0.25 and 0.10 nm, respectively. The concentration distribution calculation of EP molecules in the interface shows that the most concentrated part of EP in material 2 appears in the carry-forward area of the contact layer, while it is more close to the contact layer in material 1.
Yansheng Yin and Xin Wang
F. H. Zhang et al., "Molecular Simulation of the Interfacial Properties of an Epoxy Composite Reinforced Using a Carbon Nanotube/Carbon Fiber Hybrid", Advanced Materials Research, Vols. 79-82, pp. 1289-1292, 2009