Open AccessEffect of Stone-Thrower-Walls Defect on Mechanical Properties of Bi-layer Graphene - A Molecular Dynamics Study
Author(s) -
Mukul Joshi,
Ekant Sharma,
Ankur Anand,
M. Thirugnanam,
G. Rajasekaran
Publication year - 2020
Publication title -
iop conference series. materials science and engineering
Language(s) - English
Resource type - Journals
eISSN - 1757-899X
pISSN - 1757-8981
DOI - 10.1088/1757-899x/912/3/032084
Subject(s) - molecular dynamics , graphene , materials science , layer (electronics) , dynamics (music) , composite material , nanotechnology , physics , chemistry , computational chemistry , acoustics
This paper mainly focusing on the effects of topological defects like Stone-Thrower-Wales (STW) defect on the mechanical properties of bilayer graphene. The effect of STW defects on crack propagation mechanism were analyzed using Molecular Dynamics (MD) simulation. The results obtained are plotted to visualize the failure characteristics and the maximum stress that the material can withstand before undergoing fracture. These data are then validated with literature and experimentally obtained data.