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 |
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Hauptverfasser: | , , |
Format: | Artikel |
Sprache: | eng |
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Online-Zugang: | Volltext |
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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. |
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ISSN: | 0927-0256 1879-0801 |
DOI: | 10.1016/j.commatsci.2016.01.006 |