Atomistic potentials and the Cauchy-Born rule for carbon nanotubes: a review

Manuel Friedrich; Edoardo Mainini; Paolo Piovano

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arXiv · 1909.12023

Atomistic potentials and the Cauchy-Born rule for carbon nanotubes: a review

Manuel Friedrich·Edoardo Mainini·Paolo Piovano

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Abstract

Carbon nanotubes are modeled as point particle configurations in the framework of Molecular Mechanics, where interactions are described by means of short range attractive-repulsive 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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Manuel Friedrich, Edoardo Mainini, Paolo Piovano. 2019-09-26. Atomistic potentials and the Cauchy-Born rule for carbon nanotubes: a review. https://arxiv.org/abs/1909.12023

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