The Kekule structure of the ground state of (5,5) armchair carbon nanotube is
revealed by semiempirical molecular orbital calculations. This structure has
bonds with two different bond lengths, differing by 0.003 nm. The ground state
has tripled (compared to undistorted case) translational period due to Peierls
distortions. Two first order structural phase transitions controlled by the
tension are predicted at zero temperature. These transitions correspond to 5%
and 13% elongations of a uniaxially deformed (5,5) nanotube. The narrow gap
semiconductor to metal transition is predicted at 5% elongation of the
nanotube.Comment: 6 pages, 5 figure
Multi-scale simulations of nanotube-based nanoelectromechanical systems (NEMS) controlled by a nonuniform electric field are performed by an example of a gigahertz oscillator. Using molecular dynamics simulations, we obtain the friction coefficients and characteristics of the thermal noise associated with the relative motion of the nanotube walls. These results are used in a phenomenological one-dimensional oscillator model. The analysis based both on this model and the Fokker-Planck equation for the oscillation energy distribution function shows how thermodynamic fluctuations restrict 1 * olga.v.ershova@gmail.com † lebedeva@kintech.ru ‡ lozovik@isan.troitsk.ru § am-popov@isan.troitsk.ru ** knizhnik@kintech.ru the possibility of controlling NEMS operation for systems of small sizes. The parameters of the force for which control of the oscillator operation is possible are determined.
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