A Continuum Damage Model for Functionalized Graphene Membranes Based on Atomistic Simulations

Ivano Benedetti; R.A. Soler-Crespo; A. Pedivellano; Wei Gao; H.D. Espinosa

doi:10.4028/www.scientific.net/KEM.754.173

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HomeKey Engineering MaterialsKey Engineering Materials Vol. 754A Continuum Damage Model for Functionalized...

A Continuum Damage Model for Functionalized Graphene Membranes Based on Atomistic Simulations

Abstract:

A continuum model for GO membranes is developed in this study. The model is built representing the membrane as a two-dimensional, heterogeneous, two-phase continuum and the constitutive behavior of each phase (graphitic or oxidized) is built based on DFTB simulations of representative patches. A hyper-elastic continuum model is employed for the graphene areas, while a continuum damage model is more adequate for representing the behavior of oxidized regions. A finite element implementation for GO membranes subjected to degradation and failure is then implemented and, to avoid localization instabilities and spurious mesh sensitivity, a simple crack band model is adopted. The developed implementation is then used to investigate the existence of GO nano-representative volume elements.

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Periodical:

Key Engineering Materials (Volume 754)

Pages:

173-176

DOI:

https://doi.org/10.4028/www.scientific.net/KEM.754.173

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Online since:

September 2017

Authors:

Ivano Benedetti*, R.A. Soler-Crespo, A. Pedivellano, Wei Gao, H.D. Espinosa

Keywords:

Continuum Damage Mechanics, DFTB, Graphene Oxide, Nanocomposites, Nanomechanics

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