Computational Multiscale Analysis of the Mechanical Behavior of Radially Grown Carbon Nanotube Architecture

Abstract

An atomistically-informed multiscale modeling framework is extended to assess the improvement in mechanical properties of unidirectional fiber-reinforced polymer composites with radially-grown carbon nanotube (CNT) architecture. The multiscale model accounts for damage initiation and evolution in the polymer matrix and CNT–reinforced fiber-matrix interphase region. The model prediction is compared to literature results and available experimental data for verification and benchmarking. Parametric studies are conducted to investigate the influence of various input material and process parameters on the mechanical properties, such as elastic stiffness, strength, and toughness. Also, the interfiber stresses and the onset of damage in the presence of the CNT-reinforced interphase region are investigated to better understand the energy dissipation mechanisms that attribute to the enhancement in the composite strength and toughness. The resulting trends and observations are envisioned to provide qualitative guidance for the development of radially-grown CNT architecture with improved mechanical properties.