Molecular statical calculation of graphene sheet buckling | Zendy

Schwarzbart M. | Zendy; Steindl A. | Zendy; Troger H. | Zendy

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Molecular statical calculation of graphene sheet buckling

Author(s) -

Schwarzbart M.,

Steindl A.,

Troger H.

Publication year - 2008

Publication title -

pamm

Language(s) - English

Resource type - Journals

ISSN - 1617-7061

DOI - 10.1002/pamm.200810343

Subject(s) - buckling , graphene , force field (fiction) , molecular mechanics , materials science , molecular dynamics , continuum mechanics , potential energy , displacement (psychology) , displacement field , total energy , mechanics , structural engineering , physics , classical mechanics , composite material , nanotechnology , engineering , quantum mechanics , finite element method , psychology , psychotherapist

We study the buckling behaviour of a single rectangular graphene layer by a molecular mechanics force field approach. The so called MM3–Potential [1] is used to model the atomistic interactions. The global minimum of the total potential energy is calculated for a prescribed linear displacement field at the edges of the plate. Various buckled configurations depending on the dimension of the plate are calculated and are compared with results from continuum mechanics. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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