A band-pass filter approach within molecular dynamics for the prediction of intrinsic quality factors of nanoresonators

The temperature and frequency dependence of the flexural mode quality factors (Q) of doubly clamped single wall carbon nanotube resonators are calculated using classical molecular dynamics simulations. The validity of the various methods available in the literature for calculating Q based on the temporal response of the system during ring-down is discussed and the discrepancies associated with the methods are explained. A new approach based on band-pass filtering is proposed for calculating Q, which reveals classical temperature dependence (Q T ) in contrast to the previously reported results (Q T , 0<b< 1). It is shown that the Q estimated from the temporal response is in good agreement with the Q estimated from frequency response. This work also demonstrates that the proposed method is particularly advantageous when multiple modes are simultaneously excited within the linear regime. VC 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4754450]