Energy exchange between vibration modes of a graphene nanoflake oscillator: Molecular dynamics study

We investigated the oscillatory behaviors of a square graphene-nanoflake (GNF) on a rectangular GNF via classical molecular dynamics simulations, and analyzed the energy exchange and the oscillation frequencies for three different modes. The simulation results using a model structure show that the GNF oscillator can be considered as a high frequency oscillator. As its initial velocity increases, its telescoping region increases, then its structural asymmetry along the axis due to own small rotation exerted asymmetric van der Waals (vdW) force on it, and finally, this asymmetric vdW force enhances its rotational motions during its axial translational motions. So the initial kinetic energy of the axial translational motion is changed into the energy of the orthogonal vibrational and the rotational motions. Its resonance frequencies are dependent on the aspect ratio of the bottom rectangular GNF, the difference between the lengths of the GNF oscillator and the bottom rectangular GNF, and the initial velocity. •Schematics of graphene-flake oscillator.•Energetic and the dynamic properties via molecular dynamics simulations.•Energy exchange between vibrational modes.