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From:
Fanchao Meng (1), Cheng Chen (1), Dianyin Hu (2,3) and Jun Song (1)
(1) Department of Mining and Materials Engineering, McGill University, Montréal, Québec H3A 0C5, Canada
(2) School of Energy and Power Engineering, Beihang University, Beijing 100191, China
(3) Beijing Key Laboratory of Aero-Engine Structure and Strength, Beijing 100191, China
“Deformation behaviors of three-dimensional graphene honeycombs under out-of-plane compression: Atomistic simulations and predictive modeling”, Journal of the Mechanics and Physics of Solids, Vol. 109, pp 241-251, December 2017, https://doi.org/10.1016/j.jmps.2017.09.003
ABSTRACT: Combining atomistic simulations and continuum modeling, a comprehensive study of the out-of-plane compressive deformation behaviors of equilateral three-dimensional (3D) graphene honeycombs was performed. It was demonstrated that under out-of-plane compression, the honeycomb exhibits two critical deformation events, i.e., elastic mechanical instability (including elastic buckling and structural transformation) and inelastic structural collapse. The above events were shown to be strongly dependent on the honeycomb cell size and affected by the local atomic bonding at the cell junction. By treating the 3D graphene honeycomb as a continuum cellular solid, and accounting for the structural heterogeneity and constraint at the junction, a set of analytical models were developed to accurately predict the threshold stresses corresponding to the onset of those deformation events. The present study elucidates key structure–property relationships of 3D graphene honeycombs under out-of-plane compression, and provides a comprehensive theoretical framework to predictively analyze their deformation responses, and more generally, offers critical new knowledge for the rational bottom-up design of 3D networks of two-dimensional nanomaterials.
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