Mechanical properties of carbon nanotubes and graphene junction: a molecular dynamics simulation
نویسنده
چکیده
Carbon nanotube (CNT) and graphene sheet have shown promising due to their unique mechanical, electrical and thermal properties as well as plus light weight. CNT-graphene network is an interesting structure that obtained in experimental studies and can be used in many engineering disciplines. For this aim, understanding mechanical behavior of the CNT-graphene combination is necessary. In the present study, molecular dynamics simulation is used to examine mechanical properties of CNT-graphene junction. The adaptive intermolecular reactive empirical bond order potential was chosen to model C-C interaction which showed is a reliable model for carbon nanostructures and produces stable CNT and GS. The young modules, fracture strain and stressstrain curve of individual CNT and GS completely verified by previous report. Surprisingly, the junction represents minimum properties of CNT and GS that caused by stress distribution in junction.
منابع مشابه
Computational Studies on Mechanical Properties of Carbon-based Nanostructures Reinforced Nanocomposites
Computational methods can play a significant role in characterization of the carbon-based nanocomposites by providing simulation results. In this paper, we prepared a brief review of the mechanical properties of carbon nanotubes (CNTs), Graphene, and coiled carbon nanotube (CCNTs) reinforced nanocomposites. Varies simulation studies in mechanical properties of nanocomposites including represent...
متن کاملMolecular Dynamics Investigation of The Elastic Constants and Moduli of Single Walled Carbon Nanotubes
Determination of the mechanical properties of carbon nanotubes is an essential step in their applications from macroscopic composites to nano-electro-mechanical systems. In this paper we report the results of a series of molecular dynamics simulations carried out to predict the elastic constants, i.e. the elements of the stiffness tensor, and the elastic moduli, namely the Young’s and shear mod...
متن کاملMechanical Properties of CNT-Reinforced Polymer Nano-composites: A Molecular Dynamics Study
Understanding the mechanism underlying the behavior of polymer-based nanocomposites requires investigation at the molecular level. In the current study, an atomistic simulation based on molecular dynamics was performed to characterize the mechanical properties of polycarbonate (PC) nanocomposites reinforced with single-walled armchair carbon nanotubes (SWCNT). The stiffness matrix and elastic p...
متن کاملThe Molecular Mechanics Model of Carbon Allotropes
Carbon can form numerous allotropes because of its valency. Graphene, carbon nanotubes,capped carbon nanotubes, buckyballs, and nanocones are well-known polymorphs of carbon.Remarkable mechanical properties of these carbon atoms have made them the subject of intenseresearch. Several studies have been conducted on carbon nanotubes or graphene. In the presentstudy, the molecular mechanics method ...
متن کاملEffect of Defects on Mechanical Properties of Graphene under Shear Loading Using Molecular Dynamic Simulation
Graphene sheet including single vacancy, double vacancy and Stone-Wales with armchair and zigzag structure was simulated using molecular dynamics simulation. The effect of defects on shear’s modulus, shear strength and fracture strain was investigated. Results showed that these shear properties reduce when the degrees of all kinds of defects increase. The dangling bond in SV and DV defected gr...
متن کامل