Mechanical behavior of functionalized nanotubes

The potential use of carbon nanotubes as reinforcements in composite materials is greatly enhanced by improving the fiber-matrix interface bonding. A proposed method to increase the fiber-matrix bonding is by functionalizing the nanotubes. We use molecular dynamics and statics simulations to study the tensile mechanical response of functionalized carbon nanotubes. It is found that the there is a marginal increase in stiffness in functionalized nanotubes, and the stiffness values are found to increase with the increase in number of attachments. When deformed at high temperatures, formation of topological and failure are found to occur at lower strains.