Phenomenological multiscale finite element for single layer graphene

[Display omitted] A novel multiscale finite element is developed for the prediction of single layer graphene mechanical response. The introduced model implements a coarse-grained multiscale approach and targets computational efficiency via dimensionality reduction. Recovery of the full atomistic con...

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Veröffentlicht in:Computational materials science 2016-04, Vol.115, p.125-136
Hauptverfasser: Theodosiou, T.C., Galiotis, C., Saravanos, D.A.
Format: Artikel
Sprache:eng
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Zusammenfassung:[Display omitted] A novel multiscale finite element is developed for the prediction of single layer graphene mechanical response. The introduced model implements a coarse-grained multiscale approach and targets computational efficiency via dimensionality reduction. Recovery of the full atomistic configuration is also possible. The element employs a set of molecular mechanics based finite elements previously developed for the prediction of the elastic response and fracture of graphene at atomistic level simulations. The development of a simple multilevel finite element is described and predictions are validated against theoretical and experimental data. Results appear to be in a very good agreement.
ISSN:0927-0256
1879-0801
DOI:10.1016/j.commatsci.2016.01.006