Theoretical Model And Simulation Of Mechanical Properties Of Graphene

with a large number excellent properties have been found,graphene has more widely potential application in various fields,which basic properties becomes very important to study.Mechanical properties of the monolayer graphene is studied based on the semi-continuous model and molecular dynamics simulation method.The influence of the scale on the mechanical properties of graphene was systematically studied.Three parts in this paper are contained as follows:(1)Based on the analysis of the semi-continuum model,a new constitutive relationship of the analytical model of graphene was established.Using the AMBER force field,Young's modulus in different directions of the monolayer graphene was established,and the relationship between Young's modulus in different directions and the scale was analyzed.The results show that Young's modulus of graphene in different directions were increased with the increasing of the scale.(2)The analytical model of the deflection and resonant frequencies of monolayer graphene nanoribbons at different scales were established,and the relationship between the resonant frequency and the scale of graphene nanoribbons was analyzed.The results show that the length and the width of graphene nanoribbons will affect its deflection and resonant frequency,which the width has little effect on the two mechanical properties of graphene nanoribbons and the length of graphene nanoribbons is the major effect on the deflection and vibration frequency of monolayer graphene.(3)By molecular dynamics simulation,the resonant frequencies of zigzag graphene nanoribbons were investigated,and the effects of the scale of graphene nanoribbons and the size of probe on the resonant frequency were analyzed.The results show that the length,the width of graphene nanoribbons and the probe size are all affect the resonant frequency of the nanobelts,However,the width of nanoribbons and the size of the probe are not the main factors affecting the resonant frequency.And the length is the major effect on the resonance frequency of the nanoribbons.In this paper,the mechanical properties of single layer graphene nanomaterials were studied by theoretical model and moleculer dynamics simulation.The results maybe refer to the study of other mechanical properties of graphene.