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Evaluation of Thickness Influence on the
Mechanical Properties of Graphene Sheet using Fem
B. Melina Queen, P. Phani Prasanthi, P. Srikanth, and Dr.K. Sivaji Babu
Department of Mechanical Engineering
P.V.P. Siddhartha Institute of Technology, Vijayawada, India
International Journal of Research in Manufacturing Technology & Management
Volume 3, Issue 1, January-June, 2015, pp. 26-32
DOA : 28062015 © IASTER 2015, www.iaster.com
ABSTRACT
A computational simulation, FE software ansys has been adopted to evaluate the mechanical
properties of defect free and defected graphene sheets. The finite element models are developed using
FE software Ansys. Individual graphene sheet is simulated as a frame-like structure and the primary
bonds between two nearest-neighboring atoms are treated as beam members. The beam properties for
input into a finite element model are calculated via the concept of energy equivalence between
molecular mechanics and structural mechanics. The developed models are capable of predicting
Young’s moduli, Poisson’s ratio of Graphene sheets under cantilever loading conditions. The
response of finite element models showed that the mechanical properties of graphene sheets Young’s
moduli are precarious to the graphene thickness. Young’s modulus and Poisson’s ratio of graphene
sheet withdifferent width and height of defect free, vacancy defect and stone wales defect is
determined and the results are verified with existed literature for defect free condition.
Keywords: Finite Element Method, Graphene Sheet, Molecular Modeling, Stone Wales Defect,
Vacancy Defect.
1. INTRODUCTION
Carbon takes its name from the Latin word Carbo meaning charcoal. The most common allotropic
form of carbon is graphitewhich is an abundant natural mineral and together with diamond has been
known since antiquity. Graphite consists of sp
2
hybridized carbon atomic layers which are stacked
together by weak Vander Waals forces. The single layers of carbon atoms tightly packed into a two-
dimensional (2D) honeycomb crystal lattice are called graphene. This name was introduced by
Boehm, Setton, and Stumpp in 1994 [1].Graphene is a one-atom-thick layer of carbon atoms arranged
in a hexagonal lattice. It is the building-block of Graphite (which is used, among others things, in
pencil tips), but graphene is a remarkable substance on its own - with a multitude of astonishing
properties which repeatedly earn it the title “wonder material”. Graphene is the thinnest material
known to man at one atom thick, and also incredibly strong - about 200 times stronger than steel. On
top of that, graphene is an excellent conductor of heat and electricityand has interesting light
absorption abilities [2]. It is truly a material thatcould change the world, with unlimited potential for
integration inalmost any industry.Graphene is an extremely diverse material, and can be combined
with other elements (including gases and metals) to produce different materials with varioussuperior
properties. Researchers all over the world continue to constantly investigate and patent graphene to
learn its various properties and possible applications[3], which include touchscreens (for LCD or
OLED displays), transistors, computer chips, batteries, energy generation, super capacitors, DNA
sequencing, salt water filters , antennas, solar cells, Spintronics-related products.