Tuning Mechanical Properties Of Graphene With Stone...

Tuning mechanical properties of graphene with Stone-Thrower-Wales defects - A molecular dynamics study G. Rajasekaran and Avinash Parashar Department of Mechanical and Industrial Engineering Indian Institute of Technology, Roorkee - 247667, India HIGHLIGHTS ABSTRACT Structural defects which are inevitable during the production, chemical and heat treatment processes can affect the mechanical properties of graphene and also defects can be deliberately introduced in graphene by ion beam irradiation to get required properties for specific applications. So, understanding the effect of defects on mechanical properties and failure behaviours of a graphene sheet is important for its applications. In this work, the effects of linear and angular orientation of different types of Stone-Thrower-Wales (STW-1 and STW-2) defects on the mechanical properties and failure behaviour of graphene membrane have been investigated in the frame of molecular dynamics. This work discussing about tuneable mechanical properties by amending the linear orientation of STW-1 and STW-2 defects at different angles in zigzag direction and armchair direction respectively. The results obtained from the present work may provide the insights in tailoring the mechanical properties by p reparing defects in graphene, and give a full picture for the applications of graphene with defects in flexible electronics and nanodevices. Keywords: Graphene, linear and angular orientation, fracture properties, Young’s