Molecular dynamics modeling and simulation of a graphene-based nanoelectromechanical resonator

Abstract

A tunable graphene-resonator was investigated using classical molecular dynamics modeling and simulations. The fundamental resonance frequency variation of the graphene resonator was found to be very closely related to the average tension acting on both its edges. The initial stain-induced tension could be adjusted by using the mismatch between the negative thermal expansion coefficient of the graphene and the positive thermal expansion coefficient of the substrate, and the deflection-induced tension could be controlled by an electrostatic capacitive force due to the gate voltage. For very small initial axial-strains, the tunable range reached above several hundred gigahertz. As the initial axial-strain on the graphene-resonator increased, both the tunability and the tunable range decreased. The fundamental resonance frequency as a function of the calculated gate voltage was in good agreement with previous experiments. Considering the variables that affect the tension variation, this graphene-resonator is suitable for use as an ultra-sensitive accelerometer, thermo-sensor or weight scale, as well as many other types of sensor.