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

zbMATH Open1440.82013arXiv1909.12023MaRDI QIDQ5116792FDOQ5116792

Paolo Piovano, Edoardo Mainini, Manuel Friedrich

Publication date: 18 August 2020

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.

Full work available at URL: https://arxiv.org/abs/1909.12023

Mathematics Subject Classification ID

Statistical mechanics of crystals (82D25) Statistical mechanics of nanostructures and nanoparticles (82D80)

Cited In (4)

• Large \(N\) effects and renormalization of the long-range Coulomb interaction in carbon nanotubes
• A new CNT-oriented shell theory
• The Electronic Structures of Nanosystems: Calculating the Ground States of Sodium Nanoclusters and the Actuation of Carbon Nanotubes
• Atom capture by nanotube and scaling anomaly

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