000014309 001__ 14309
000014309 005__ 20161115100147.0
000014309 04107 $$aeng
000014309 046__ $$k2016-08-21
000014309 100__ $$aDamasceno, Daniela
000014309 24500 $$aMechanical behavior of graphene sheet using atomic-scale finite element method

000014309 24630 $$n24.$$p24th International Congress of Theoretical and Applied Mechanics - Book of Papers
000014309 260__ $$bInternational Union of Theoretical and Applied Mechanics, 2016
000014309 506__ $$arestricted
000014309 520__ $$2eng$$aIn this work we continue to further develop the atomic-scale finite element method (AFEM) [1,3,4], to study the mechanical behavior of pristine graphene sheets as well as those with vacancy defects. In the present AFEM implementation, the stiffness matrices were obtained from a second- generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons, as given by [2]. The force-strain relationships for a pristine graphene sheet and a sheet with crack are obtained from AFEM and Molecular Dynamics (MD) simulations in order to compare the accuracy and efficiency of AFEM. We also define the basic atomic elements on the edges and close to a row of vacancies, and compare the total energy of the atomic elements from AFEM and MD, in order to study the influence of nanoscale cracks and boundary conditions on the strength of graphene. The current formulation with modified atomic finite elements show good stability and convergence.

000014309 540__ $$aText je chráněný podle autorského zákona č. 121/2000 Sb.
000014309 653__ $$a

000014309 7112_ $$a24th International Congress of Theoretical and Applied Mechanics$$cMontreal (CA)$$d2016-08-21 / 2016-08-26$$gICTAM2016
000014309 720__ $$aDamasceno, Daniela
000014309 8560_ $$ffischerc@itam.cas.cz
000014309 8564_ $$s224765$$uhttps://invenio.itam.cas.cz/record/14309/files/PO.SM12-1.02.167.pdf$$yOriginal version of the author's contribution as presented on CD,  page 2660, code PO.SM12-1.02.167
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000014309 962__ $$r13812
000014309 980__ $$aPAPER