Modeling of graphene-based NEMS

The possibility of designing nanoelectromechanical systems (NEMS) based on relative motion or vibrations of graphene layers is analyzed. Ab initio and empirical calculations of the potential relief of interlayer interaction energy in bilayer graphene are performed. A new potential based on the density functional theory calculations with the dispersion correction is developed to reliably reproduce the potential relief of interlayer interaction energy in bilayer graphene. Telescopic oscillations and small relative vibrations of graphene layers are investigated using molecular dynamics simulations. It is shown that these vibrations are characterized with small Q-factor values. The perspectives of nanoelectromechanical systems based on relative motion or vibrations of graphene layers are discussed.Comment: 19 pages, 4 figure

Can Barrier to Relative Sliding of Carbon Nanotube Walls Be Measured?

Interwall interaction energies, as well as barriers to relative sliding of the walls along the nanotube axis, are first calculated for pairs of both armchair or both zigzag adjacent walls of carbon nanotubes with a wide range of radiuses. It is found that for the pairs with the radius of the outer wall greater than 5 nm both the interwall interaction energy and barriers to the relative sliding per one atom of the outer wall only slightly depends on the wall radius. A wide set of the measurable physical quantities determined by these barriers are estimated as a function of the wall radius: shear strengths and diffusion coefficients for relative sliding of the walls along the axis, as well as frequencies of relative axial oscillations of the walls. For nonreversible telescopic extension of the walls, maximum overlap of the walls for which threshold static friction forces are greater than capillary forces is estimated. Possibility of experimental verification of the calculated barriers by measurements of the estimated physical quantities is discussed.Comment: 16 pages, 8 figure