Internal lattice relaxation of single-layer graphene under in-plane deformation

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NONLINEAR MECHANICS OF SINGLE-ATOMIC-LAYER GRAPHENE SHEETS (2009, background): “previous studies [Arroyo and Belytschko, 2004a; Zhou and Huang, 2008], Young’s modulus of graphene predicted by Brenner’s potential (see Table 1) is considerably lower than that predicted by ab initio models [Kudin et al.”
Probing the Young’s modulus and Poisson’s ratio in graphene/metal interfaces and graphite: a comparative study (2015, unknown): “[66] (underestimated E2D).”
Atomistic simulation and continuum modeling of graphene nanoribbons under uniaxial tension (2011, methodology): “This discrepancy is the major shortcoming of the REBO potential in modeling mechanical behavior of graphene and carbon nanotubes, as noticed previously [34-36].”
Superior mechanical flexibility of phosphorene and few-layer black phosphorus (2014, unknown): “Since our systems are 2D structures, the elastic constants and moduli are from the Hooke’s law under plane-stress condition [44],”
Mechanical properties of the hexagonal boron nitride monolayer: Ab initio study (2011, background): “Here the lack of a one-to-one map relationship between the strain tensor and deformation gradient tensor is not concerned since the calculated energy is invariant under rigid deformation [39,34].”