Size-dependent elastic properties of a single-walled carbon nanotube via a molecular mechanics model

An analytical model based on a molecular mechanics approach is presented to relate the elastic properties of a single-walled carbon nanotube to its atomic structure. We derive closed-form expressions for elastic modulus and Poiss on's ratio as a function of the nanotube diameter. Properties at different length scales are directly connected via these expressions. The analytically calculated elastic properties for achiral nanotubes using force constants obtained from experimental data of graphite are compared to those based on tight binding numerical calculations. This study represents a preliminary effort to develop analytical methods of molecular mechanics for, applications in nanostructure modeling. (C) 2003 Elsevier Science Ltd. All rights reserved.