Calculus of Variations and Geometric Measure Theory
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M. Friedrich - E. Mainini - P. Piovano

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

created by mainini on 27 Sep 2019

[BibTeX]

Preprint

Inserted: 27 sep 2019

Year: 2019

ArXiv: 1909.12023 PDF

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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