Mechanical oscillatory behavior of a C60 fullerene tunneling through open carbon nanocones

Abstract

This paper deals with the mechanical oscillatory behavior of a C60 fullerene inside open carbon nanocones (CNCs). The fullerene molecule is assumed to enter the nanocone through its small end or wide end. Following our previously published study, semi-analytical expressions for the evaluation of vdW interactions are presented which facilitate obtaining a formula for oscillation frequency. The equation of motion is numerically solved to attain the time histories of separation distance and velocity of the fullerene molecule. Based on the conservation of the mechanical energy law, a new semi-analytical formula is also derived to accurately evaluate the oscillation frequency of the system. With respect to the present formulation, a detailed parametric study is conducted to gain an insight into the effects of both geometrical parameters (small-end radius, wide-end radius and vertex angle of nanocone) and initial conditions (initial separation distance and initial velocity) on the oscillatory behavior of C60 fullerene-open CNC oscillators. For given geometrical parameters and initial conditions, it is shown that higher oscillation frequencies can be achieved when the fullerene molecule enters the open nanocone through its small end.