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An atomistic-based Föppl–von Kármán model for graphene

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Abstract We deduce a non-linear continuum model of graphene for the case of finite out-of-plane displacements and small in-plane deformations. On assuming that the lattice interactions are governed by the… Click to show full abstract

Abstract We deduce a non-linear continuum model of graphene for the case of finite out-of-plane displacements and small in-plane deformations. On assuming that the lattice interactions are governed by the Brenner’s REBO potential of 2nd generation and that self-stress is present, we introduce discrete strain measures accounting for up-to-the-third neighbor interactions. The continuum limit turns out to depend on an average (macroscopic) displacement field and a relative shift displacement of the two Bravais lattices that give rise to the hexagonal periodicity. On minimizing the energy with respect to the shift variable, we formally determine a continuum model of Foppl–von Karman type, whose constitutive coefficients are given in terms of the atomistic interactions.

Keywords: von; model; based ppl; model graphene; atomistic based

Journal Title: International Journal of Non-Linear Mechanics
Year Published: 2019

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