Abstract
The remarkable mechanical properties of carbon nanotubes, such as high elastic modulus and tensile strength, make them the most ideal and promising reinforcements in substantially enhancing the mechanical properties of resulting polymer/carbon nanotube composites. It is acknowledged that the mechanical properties of the composites are significantly influenced by interfacial interactions between nanotubes and polymer matrices. The current challenge of the application of nanotubes in the composites is hence to determine the mechanical properties of the interfacial region, which is critical for improving and manufacturing the nanocomposites. In this work, a new method for evaluating the elastic properties of the interfacial region is developed by examining the fracture behavior of carbon nanotube reinforced poly (methyl methacrylate) (PMMA) matrix composites under tension using molecular dynamics simulations. The effects of the aspect ratio of carbon nanotube reinforcements on the elastic properties, i.e. Young's modulus and yield strength, of the interfacial region and the nanotube/polymer composites are investigated. The feasibility of a three-phase micromechanical model in predicting the elastic properties of the nanocomposites is also developed based on the understanding of the interfacial region.
Highlights
The remarkable mechanical properties of carbon nanotubes, such as high elastic modulus and tensile strength, make them the most ideal and promising reinforcements in substantially enhancing the mechanical properties of resulting polymer/carbon nanotube composites
A new method for evaluating the elastic properties of the interfacial region is developed by examining the fracture behavior of carbon nanotube reinforced poly (PMMA) matrix composites under tension using molecular dynamics simulations
They reported that the interfacial shear stress of between carbon nanotubes (CNTs) reinforcements with an outer diameter of 1.33 nm and a polystyrene matrix is about 160 modulus (GPa) Yield stress (MPa) that is significantly higher than most carbon fiber reinforced polymer composites
Summary
The remarkable mechanical properties of carbon nanotubes, such as high elastic modulus and tensile strength, make them the most ideal and promising reinforcements in substantially enhancing the mechanical properties of resulting polymer/carbon nanotube composites. Han and Elliott[18] used MD simulations to model CNT reinforced composites made of a (10, 10) SWCNT with an effectively infinite length embedded in two different amorphous polymer matrices of poly (methyl methacrylate) (PMMA) and poly{(m-phenylenevinylene)-co-[(2,5-dioctoxy-p-phenylene) vinylene]} (PmPV) Based on their simulation results, the Young’s moduli in the longitudinal direction of CNT/PMMA and CNT/PmPV composites with a CNT volume fraction of 17% are 138.9 GPa and 145.6 GPa, respectively. The simulation studies on the pullout of CNT reinforcements from polymer matrices evidences the load transfer capability from polymer matrices to nanotubes, they do not provide mechanical properties of the nanocomposites and the interfacial region such Young’s modulus and yield stress. In this regard, other models were developed to measure the properties. A more comprehensive molecular level understanding of the reinforcing mechanism in predicting overall elastic properties of the interfacial region with a thorough consideration of nanoscale effects are necessary to fulfill design, synthesis, and characterization of CNT/polymer nanocomposites
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