Study On Edge-size Effect Of Interfacial Cohesive Energy Of Low Dimensional Carbon Nanodevices

Since entering the 21^st century,nanomaterials have gradually entered people's field of vision due to their excellent mechanical,electrical,magnetic,thermal and optical properties.With the mechanical structure entering nanoscale,van der Waals?vdW?interactions between them plays an increasingly important role.Carbon chains,graphene,carbon nanotubes?CNT?and nanofibers as new materials for carbon nano devices have attracted more and more researchers'attention in recent years.In this paper,based on the interfacial cohesive energy of the above-metioned carbon nano-device materials,whose size is finite,the interfacial mechanical properties between them were systematically studied by using the methods of continuum mechanics and molercular dynamics.The main research contents and results are summarized as follows:?1?Based on the continuous mechanical model,the van der Waals interaction between a given atom and a finite-size substrate?monolayer graphene,diamond?is considered,and the distribution function of interfacial cohesive energy is obtained.?2?Based on the continuous mechanical model,van der Waals interactions between two carbon chains of finite size,between single-layer graphene sheets,between single-walled carbon nanotubes?parallel,cross,coaxial?,and between carbon nanowires?parallel,cross?are considered to obtain the analytical expressions of the interfacial cohesive energy dependent on the device size and boundary.At the same time,molecular dynamics simulations are used to verify the validity and accuracy of the theoretical model.?3?Based on the continuous mechanical model,the van der Waals interaction between two single-layer graphene sheets,single-walled carbon nanotubes,carbon nanowires and the substrate?diamond?of finite size is considered,and the analytical expression of the interfacial cohesive energy dependent on the device size and boundary is obtained.At the same time,the validity and accuracy of the theoretical model are verified by molercular dynamics simulation.?4?On the basis of the above-mentioned study on the interfacial cohesive energy of carbon nanotubes,the vibration performance of parallel single-walled carbon nanotubes was studied by using Euler-beam model.In particular,the van der Waals?vdW?force between single-walled carbon nanotubes and the influence of the diameter on the vibration frequency of carbon nanotubes are analyzed.The theoretical analysis results obtained in this paper are in good agreement with the molecular dynamics simulation results.The research results are helpful to further understand the interface mechanical and vibration properties of nano-electronic device and provide important theoretical basis for its application.