LAUSR

Carbon networked one dimensional and two dimensional nano-structures of Carbon Nanotube (CNT) and Graphene have been analyzed for inherent mechanical properties with help of soft experiment (Molecular Dynamics). The hexagonal networked carbon structures are defined theoretically by the parameter called Chiral angle. The changes in the angle shows significant changes in material and geometrical properties. Initially we chose a CNT with a particular chiral index and generated CNTs with various topologies and same diameter by changes in chiral indices. Graphene structure having chiral indices similar to those of the CNT structures have also been considered. The uniaxial tensile tests have been performed on all the structures using Molecular Dynamics (MD) simulations. The dependency of ultimate stress, ultimate strain, Young's modulus, fracture stress, fracture strain and Poisson's ratio on chirality of the structures has been investigated. The MD simulations have been carried out using AIREBO potential with the cut-off function parameters 1.42 ? and 2.46 ? to avoid any non-physical behavior.