Carbon Nanothreads-Reinforced Polymer Nanocomposites

Due to the outstanding mechanical properties of carbon nanothreads, it is highly expected that carbon nanothreads will be excellent reinforcements for improving the mechanical properties of polymer composites. This chapter aims to provide significant insights into the promising role of carbon nanothreads on reinforcing polymer composites through multiscale modeling. The computational details of molecular dynamics and coarse-grained simulation are introduced. The thermal–mechanical properties of poly (methyl methacrylate) composites under tensile deformation are introduced. The effect of carbon nanothread’s topological structure on Young’s modulus, ultimate stress, interfacial shear stress, glass transition temperature, and friction factor are illustrated, and the associated interfacial interaction mechanisms are concluded. The cavitation and crazing behaviors of polymer composites subjected to tension are also investigated through mesoscale insights, and the manipulation mechanisms of the two behaviors are revealed.