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Atomistic simulations of cantilevered single-walled carbon nanotubes as nanomechanical resonators

G. KOSA1, M. BERCU1,* , V. GRECU1

Affiliation

  1. Faculty of Physics, University of Bucharest, Magurele-Bucharest, Romania, P.O. Box MG-11

Abstract

The properties related to mechanical wave propagation in carbon nanotubes support advanced applications as nanomechanical resonators. This study deals with molecular dynamics simulations of cantilevered carbon nanotubes considered as mass detectors. The shift of the resonance frequency is calculated versus the attached extra-mass to carbon nanotubes model of 2200 atoms. We found that the modified Morse potential leads to the mass detection limit of 7.5 × 10-22 g and to a high efficiency computation needed for large atomistic models. The influence on the frequency shift determined by the position of the extra-mass along the single-walled carbon nanotubes was taken into account..

Keywords

Single-wall carbon nanotubes, Elastic wave propagation, Molecular dynamics, Nano-mechanical resonators.

Citation

G. KOSA, M. BERCU, V. GRECU, Atomistic simulations of cantilevered single-walled carbon nanotubes as nanomechanical resonators, Optoelectronics and Advanced Materials - Rapid Communications, 5, 10, October 2011, pp.1103-1106 (2011).

Submitted at: Aug. 26, 2011

Accepted at: Oct. 20, 2011