Comparison of Molecular Simulation and Pseudo-Rigid-Body Model Predictions for a Carbon Nanotube–Based Compliant Parallel-Guiding Mechanism

Abstract

We report on the accuracy of the pseudo-rigid-body model (PRBM) in predicting the behavior of a nanoscale parallel-guiding mechanism (nPGM) that uses two single-walled (5,5) carbon nanotubes (CNTs) as the flexural guiding elements. The nPGM has two regions of behavior: region 1 is governed by the bulk deformation of the nanotubes, and region 2 is characterized by hingelike flexing of four “kinks” that occur due to buckling of the nanotube walls. PRBM parameters for (5,5) CNTs are proposed. Molecular simulation results of region 1 behavior match PRBM predictions of (1) kinematic behavior with less than 7.3% error and (2) elastomechanic behavior with less than 5.7% error. Although region 1 is of more interest because of its well-defined and stable nature, region 2 motion is also investigated. We show that the PRBM parameters are dependent on the selection of the effective tube thickness and moment of inertia, the lesson being that designers must take care to consider the thickness and moment of inertia values when deriving PRBM constants.