Molecular dynamics simulation of mechanical and oscillating characteristics of graphene nanosheets with zigzag and armchair edges

Abstract

An oscillator is a circuit that can produce a continuous, repetitive, and alternating waveform without any input. However, the oscillations caused by the conversion between the two forms of energy cannot last forever. As a result, the amplitude decreases until it becomes zero, thus causing their nature to decrease. After discovering graphene nanosheets, their use in nanoelectricity science was much considered. Due to the amazing properties of graphene nanosheets, they can be used to establish permanent oscillations. The results show that graphene nanosheets ' mechanical properties and electrical properties depend on their structure and shape. Therefore, this study investigates the effect of graphene nanosheets type, size, and temperature on the simulated nanostructure's mechanical properties and oscillating behavior with Molecular Dynamics simulation. The results show that the graphene nanosheets with zig-zag edges has higher mechanical strength than armchair edges. Young's modulus and Ultimate strength of graphene nanosheets with zig-zag edges are numerically 1079 and 115 GPa, respectively. On the other hand, the resistance in graphene nanosheets can be expressed by reducing the oscillation amplitude and increasing the oscillation frequency. The results show that by changing the armchair edges to zigzag, the oscillation amplitude of graphene nanosheets decreases from 10.36 to 9.82 angstrom. Also, by enhancing the length of graphene nanosheets from 30 to 100, the oscillation amplitude of graphene nanosheets increases from 7.59 to 12.12 angstrom. This increase is due to the increases in the contact surface of the atomic structures. Consequently, the interactions between the carbon particles and mechanical resistance decrease. According to the results of this project, the findings improve the dynamics of nanoscale oscillators and cause a significant improvement in the performance of various devices.