Molecular Simulation of the Interfacial Properties of an Epoxy Composite Reinforced Using a Carbon Nanotube/Carbon Fiber Hybrid

Fu Hua Zhang; Xiao Dong He; Li Hua Dong; Yan Sheng Yin

doi:10.4028/www.scientific.net/AMR.79-82.1289

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Molecular Simulation of the Interfacial Properties of an Epoxy Composite Reinforced Using a Carbon Nanotube/Carbon Fiber Hybrid
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HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 79-82Molecular Simulation of the Interfacial Properties...

Molecular Simulation of the Interfacial Properties of an Epoxy Composite Reinforced Using a Carbon Nanotube/Carbon Fiber Hybrid

Abstract:

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.