Modeling of atomic interactions in carbon nanotubes

Abstract

Abstract This work concerns atomic potentials applied in the description of carbon nanotubes mechanical behavior. The explicit relations of interatomic forces for different interatomic potentials have been derived. The fluctuations in the values of interatomic potential, interatomic force, elastic constant and Young’s modulus have been put forward to elucidate the similarities and differences between potentials. The present analysis may be helpful in the equivalent continuum modelling of carbon nanotubes and nanocomposites.