【摘 要】
：
Graphene is the thinnest,one-atom thickness material in nature,and has unique mechanical,electronic and optical properties.However,the small out-of-plane ri
【机 构】
：
StateKeyLaboratoryofStructuralAnalysisforIndustrialEquipment,DalianUniversityofTechnology,Dalian1160
【出 处】
：
The 5th Asian Conference on Mechanics of Functional Material
论文部分内容阅读
Graphene is the thinnest,one-atom thickness material in nature,and has unique mechanical,electronic and optical properties.However,the small out-of-plane rigidity and van der Waals interactions make single-layer graphene vulnerable to have self-folding and nanoscroll deformations,which significantly affects the electronic properties of graphene and hampers its use.Therefore,it is highly desired to investigate the stability analysis of single-layer graphene considering nanoscroll and self-folding configurations.In this paper,finite deformation analytical model and molecular dynamics simulation are performed.It is found that with the increase of sheet length,the graphene may have different configurations,such as stable flat,metastable folding/nanoscroll and stable folding/nanoscroll.The critical lengths to invoke metastable and stable folding/nanoscroll are given by analytical model,which agrees well with MD results.Furthermore,the intersection of energies for nanoscrolls and folding configurations in analytical energy map reveals that with reasonable perturbation,the deformed configuration of graphene can transfer from nanoscroll to folding.The morphology transfer has been proved by our MD simulations with temperature control.
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