Numerical Simulations Using a Molecular Mechanics-based Finite Element Approach: Application on Boron-Nitride Armchair Nanotubes

DOI10.1080/15502287.2011.580831zbMath1241.82090OpenAlexW1974579100MaRDI QIDQ3118309

Dimitris A. Saravanos, T. C. Theodosiou

Publication date: 2 March 2012

Published in: International Journal for Computational Methods in Engineering Science and Mechanics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1080/15502287.2011.580831

zbMATH Keywords

atomistic simulationmolecular modelingboron-nitride nanotubes

Mathematics Subject Classification ID

Numerical computation of solutions to systems of equations (65H10) Finite element methods applied to problems in solid mechanics (74S05) Lattice systems (Ising, dimer, Potts, etc.) and systems on graphs arising in equilibrium statistical mechanics (82B20) Molecular, statistical, and kinetic theories in solid mechanics (74A25) Statistical mechanics of nanostructures and nanoparticles (82D80)

Related Items (1)

A coupled mechanical-charge/dipole molecular dynamics finite element method, with multi-scale applications to the design of graphene nano-devices

Cites Work

• A structural mechanics approach for the analysis of carbon nanotubes
• An analytical molecular structural mechanics model for the mechanical properties of carbon nanotubes

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