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General Elasticity Theory for Graphene Membranes Based on Molecular Dynamics

Published online by Cambridge University Press:  01 February 2011

Kaveh Samadikhah ,
Juan Atalaya ,
Caroline Huldt ,
Andreas Isacsson  and
Jari Kinaret
Kaveh Samadikhah
Affiliation:
Chalmers university of technology, applied physics, Kemigården 1, Gothenburg, SE-412 96, Sweden
Juan Atalaya
Affiliation:
[email protected], University of Gothenburg, Department of Physics, Kemigården 1, Gothenburg, SE-412 96, Sweden
Caroline Huldt
Affiliation:
[email protected], Chalmers University of Technology, Department of Applied Physics, Kemigården 1, Gothenburg, SE-41296, Sweden
Andreas Isacsson
Affiliation:
[email protected], Chalmers University of Technology, Department of Applied Physics, Kemigården 1, Gothenburg, SE-41296, Sweden
Jari Kinaret
Affiliation:
[email protected], Chalmers University of Technology, Department of Applied Physics, Kemigården 1, Gothenburg, SE-41296, Sweden
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Abstract

We have studied the mechanical properties of suspended graphene membranes using molecular dynamics (MD) and generalized continuum elasticity theory (GE) in order to develop and assess a continuum description for graphene. The MD simulations are based on a valence force field model which is used to determine the deformation and the elastic energy of the membrane (EMD) as a function of external forces. For the continuum description, we use the expression Econt = Estretching + Ebending for the elastic energy functional. The elastic parameters (tensile rigidity and Poisson ratio) entering Econt are determined by requiring that Econt = EMD for a set of deformations.

Comparisons with the MD results show excellent agreement. We find that the elastic energy of a supported graphene sheets is typically dominated by the nonlinear stretching terms whereas a linear description is valid only for very small deflections. This implies that in some applications, i.e. NEMS, a linear description is of limited applicability.

Keywords

elastic propertiesstress/strain relationshipsimulation
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1057: Symposium II – Nanotubes and Related Nanostructures , 2007 , 1057-II10-20
Copyright
Copyright © Materials Research Society 2008

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References

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