Simulation of mechanical parameters of graphene using the DREIDING force field

Molecular mechanics/molecular dynamics (MM/MD) methods are widely used in computer simulations of deformation (including buckling, vibration, and fracture) of low-dimensional carbon nanostructures (single-layer graphene sheets (SLGSs), single-walled nanotubes, fullerenes, etc). In MM/MD simulations,...

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Veröffentlicht in:	Acta mechanica 2018-06, Vol.229 (6), p.2343-2378
Hauptverfasser:	Korobeynikov, S. N., Alyokhin, V. V., Babichev, A. V.
Format:	Artikel
Sprache:	eng
Schlagworte:	Analysis Bend strength Bending modulus Carbon Classical and Continuum Physics Computer simulation Control Deformation Dynamical Systems Engineering Engineering Thermodynamics Graphene Graphite Heat and Mass Transfer Mechanical properties Modulus of elasticity Molecular dynamics Nanostructure Nanotubes Original Paper Parameter estimation Quantum mechanics Rigidity Sheets Simulation Solid Mechanics Theoretical and Applied Mechanics Van der Waals forces Vibration
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