2019/02/27 by Cesare Davini, Davini, Cesare, Antonino Favata +3
Engineering · Materials Science · Physics and Astronomy · #Carbon Nanotubes in Composites #Composite Material Mechanics #FOS: Physical sciences #Force Microscopy Techniques and Applications #Graphene and Nanomaterials Applications #Graphene research and applications #Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
paper · pdf · doi:10.48550/arxiv.1902.10702
openalex publication_date 2019/02/27 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
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 Föppl-von Kármá type, whose constitutive coefficients are given in terms of the atomistic interactions.