A coarse-grained model for simulations of graphite and carbon nanotubes

As multi-walled nanotubes in many experimental systems are quite large in diameter and in length and they consist billions of atoms, a new multi-scale modeling approach is necessary. This modeling approach can serve as a bridge between atomistic modeling and continuum modeling of multi-walled nanotubes. For graphite nanobeams and carbon nanotubes we present a new model which is based on the hexagonal symmetry of the graphite structure. This model is based on ``N cell to one Cell'' mapping of the graphite structure. N cells in the original atomic structure are equivalent to one cell in the hexagonal mesh model. The number N can be very large thus it is possible to model large multi-walled nanotubes and graphite nanobeams.