Atomistic studies of mechanical properties of carbon nanotubes

Recent advances of modeling and simulation at the nanoscale have led to a better understanding of the mechanical behaviors of carbon nanotubes (CNTs), which include the constitutive behaviors of single-walled and multi-walled CNTs at small deformation, bifurcation characteristics of CNTs at large deformation, and thermal vibration mechanisms. The mechanical behaviors of CNTs under various types of loads are the focal points in this review. The studies are based on quantum mechanical and classical molecular dynamics simulations, and parallel continuum and structural mechanics models incorporating atomic features are developed, with key parameters fitted from the atomistic simulations; the continuum models could effectively bridge different scales and reveal the intrinsic constitutive relationships. The numerical studies offer useful links between scientific research with engineering application, which may help to fulfill CNT potential applications such as nanostrain sensors, nanotransistors, nanovalves, and nanocomposites. Copyright © 2007 American Scientific Publishers All rights reserved.