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Influence of surface-modified glass fibers on interfacial properties of GF/PEEK composites using molecular dynamics
In this paper, molecular dynamics (MD) simulations are carried out to explore the influence of surface modification of glass fiber on interfacial binding energy and failure behavior of GF/PEEK composites. The silane coupling agent and sulfonated PEEK (SPEEK) are employed to modify the surface of glass fibers (GF), and the results reveal that the SPEEK can be employed as an adhesive sizing agent to improve the interfacial bonding strength of GF/PEEK composites. In addition, the synergistic mechanism of non-bonding and mechanical interlocking is investigated by using MD simulations. The interface shear simulation results demonstrate that the interfacial shear strength of composite increased and more resin molecules are found on the surface after SPEEK is incorporated into the GF surface. Moreover, compared with surface-untreated short GF-reinforced PEEK composite, the experimental results demonstrate that the tensile and bending strength of SGF/PEEK composite are improved after interface modification with SPEEK by 21.4% and 30.2%, respectively. The current study presents the utilization of MD simulation for interface design to enhance the mechanical properties of fiber reinforced PEEK composites.
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