All-scale approach to evaluate the elasticity and strength of carbon-allotrope reinforced polyimide

This computational study conducts a comprehensive all-scale analysis to predict the mechanical behavior (elasticity and strength) of polyimide matrices (Kapton@) reinforced with carbon nanostructures, spanning nanoscale, microscale, mesoscale, and macroscale. Representative volume elements at each scale undergo tensile and shear loadings to extract mechanical properties. Homogenization techniques are applied to transition between scales, considering these properties. Two nanostructures (graphene and γ-graphyne) are explored as reinforcements, evaluating the influence of volume fraction and orientation on composite mechanical properties. Results are validated through comparison with theoretical, computational, and experimental studies. Composite materials exhibited significant improvements in stiffness (up to 44% at a volume fraction of 0.5%) and tensile strength (up to 25% at a volume fraction of 0.5%) compared to the pristine polymeric matrix.