Carbon nanotubes are modeled as point particle configurations in the framework of Molecular Mechanics, where interactions are described by means of short range attractiverepulsive potentials. The identification of local energy minimizers yields a variational description for the stability of rolled-up hexagonal-lattice structures. Optimality of periodic configurations is preserved under moderate tension, hence justifying the elastic behavior of carbon nanotubes in the axial traction regime.
ATOMISTIC POTENTIALS AND THE CAUCHY-BORN RULE FOR CARBON NANOTUBES: A REVIEW
Edoardo Mainini;
2019-01-01
Abstract
Carbon nanotubes are modeled as point particle configurations in the framework of Molecular Mechanics, where interactions are described by means of short range attractiverepulsive potentials. The identification of local energy minimizers yields a variational description for the stability of rolled-up hexagonal-lattice structures. Optimality of periodic configurations is preserved under moderate tension, hence justifying the elastic behavior of carbon nanotubes in the axial traction regime.
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