Strength of graphenes containing randomly dispersed vacancies (new journal paper)

Strength of graphenes containing randomly dispersed vacancies

Tserpes, K.I.kit2005 [at] mech.upatras.gr

Laboratory of Technology and Strength of Materials,
Department of Mechanical Engineering and Aeronau, University of Patras,
Patras, 26500, Greece

Abstract

In the present work, the tensile strength of graphenes containing
randomly dispersed vacancies is predicted using an atomistic-based
continuum progressive fracture model. The concept of the model is based
on the assumption that graphene, when loaded, behaves like a plane-frame
structure. The finite element method is used to model the structure of
graphene and the modified Morse interatomic potential to simulate the
nonlinear behavior of the C-C bonds. Randomly dispersed vacancies (1
missing atom) are introduced into graphene using a random numbers
algorithm. Graphenes are subjected to incremental uniaxial tension. The
model is capable of simulating fracture evolution considering defect
interaction. The effects of size, chirality, defect density and defect
topology on the Young's modulus, strength and failure strain of
graphenes are examined. Computed results reveal that vacancies may
counterbalance the extraordinary mechanical properties of graphene,
since 4.4% of missing atoms, corresponding to 13.2% of missing bonds,
result in a 50% reduction in Young's modulus and tensile strength of the
material. Also found is a secondary effect of defect topology. © 2011
Springer-Verlag.

 

Acta Mechanica


2011, Pages 1-10

 Article in press