Enhanced mechanical and interfacial features of graphene-woven fabric/polyethylene nanocomposites: molecular dynamics study

N Mousavi and J Davoodi, APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING, 131, 297 (2025).

DOI: 10.1007/s00339-025-08420-2

The interfacial and mechanical properties of polyethylene (PE) nanocomposite reinforced by graphene woven fabric (GWF) were explored using molecular dynamics simulation. The influence of random vacancy defects on the strength of interfacial bonding between the nanostructure and polymer matrix and its mechanical characteristics were also investigated. The nanostructure is assumed to be exfoliated entirely in the polyethylene matrix with a planar orientation and was compared with Graphene/Polyethylene (Gr/PE) nanocomposites of the same size. Our results indicate that GWF/PE exhibits enhanced stability under high- strain conditions due to its unique textile structure. The pull-out test confirms that sandwiching GWF with PE polymer enhances ribbon sliding resistance. Furthermore, GWF/PE shows less sensitivity in the presence of random defects, maintaining constant or improved fracture strain and toughness behavior. These findings accentuate GWFs as effective reinforcement materials with substantial mechanical properties. It also highlights the importance of defect-free states in nanofiller applications for multifunctional nanocomposites. Our research will pave the way for developing more resilient and versatile nanomaterials.

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