General elasticity theory for graphene membranes based on molecular dynamics
Paper i proceeding, 2007

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 E cont = 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.

Författare

Kaveh Samadikhah

Chalmers, Material- och tillverkningsteknik

Juan Atalaya

Chalmers, Teknisk fysik

Caroline Huldt

Chalmers, Teknisk fysik, Kondenserade materiens teori

Andreas Isacsson

Chalmers, Teknisk fysik

Jari Kinaret

Chalmers, Teknisk fysik, Kondenserade materiens teori

Materials Research Society Symposium Proceedings

0272-9172 (ISSN)

109-114

Styrkeområden

Nanovetenskap och nanoteknik

Ämneskategorier

Fysik

Den kondenserade materiens fysik

ISBN

978-160560826-6