The Effect Of Pair Of Stone Wales Defects On The...

Molecular Dynamics Based Investigation to Study the Effect of Pair of Stone-Thrower-Wales Defects on the Mechanical Response and Failure Morphology of Graphene G. Rajasekaran, Rajesh Kumar and Avinash Parashar Department of Mechanical and Industrial Engineering Indian Institute of Technology, Roorkee - 247667, India ABSTRACT Structural defects are inevitable in graphene due to its production techniques as well as chemical and heat treatment processes. These defects in graphene are introduced either during the production process or deliberately by us to tailor its properties. In this article, the effect of nearest neighbour distance and angular orientation between Stone-Thrower-Wales defects (STW-2) on the mechanical properties and failure morphology of graphene was investigated in the frame of molecular dynamics. Mechanical properties and failure morphology of graphene was predicted to be the function of angular orientation between STW-2 defects, when the nearest neighbour distance was in the range of 10 Ã…. Graphene sheet containing pair of STW-2 defects had shown an overall increase of 8% and 11% in fracture strength and strain respectively as compared to graphene with single STW-2 defect. This study also characterised the failure morphology of graphene sheet with single and pair of STW-2 defects in the armchair direction. Keywords: Graphene, Stone-Thrower-Wales defect, nearest neighbour distance, angular orientation, mechanical properties, Young’s modulus andShow MoreRelatedEffects Of Point And Line Defects On The Properties Of Graphene9719 Words   |  39 PagesEffect of Point and Line Defects on the Properties of Graphene: A Review Rajasekaran G, Prarthana Narayanan and Avinash Parashar* Department of Mechanical and Industrial Engineering Indian Institute of Technology, Roorkee - 247667, India * Corresponding author: E-Mail: drap1fme@iitr.ac.in, Ph: +91-1332-284801 ABSTRACT New materials with distinctive properties are arising and attracting the scientific community at regular intervals. Stiffness and strength are the important factors in determining