Molecular mechanics in the context of the finite element method

DOI10.1002/NME.2442zbMath1183.74322OpenAlexW2152246466MaRDI QIDQ3549737

J. Wackerfuß

Publication date: 29 March 2010

Published in: International Journal for Numerical Methods in Engineering (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1002/nme.2442

zbMATH Keywords

finite element methodbucklinglarge deformationsimplementationatomic structures

Mathematics Subject Classification ID

Finite element methods applied to problems in solid mechanics (74S05) Molecular, statistical, and kinetic theories in solid mechanics (74A25)

Related Items (5)

On the molecular mechanics of single layer graphene sheets ⋮ A coupled mechanical-charge/dipole molecular dynamics finite element method, with multi-scale applications to the design of graphene nano-devices ⋮ Numerical validation of a concurrent atomistic-continuum multiscale method and its application to the buckling analysis of carbon nanotubes ⋮ Using finite element codes as a numerical platform to run molecular dynamics simulations ⋮ Quasi-static buckling simulation of single-layer graphene sheets by the molecular mechanics method

Cites Work

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• An atomistic-based finite deformation membrane for single layer crystalline films
• An introduction to computational nanomechanics and materials
• The atomic-scale finite element method
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• A structural mechanics approach for the analysis of carbon nanotubes
• Size-dependent elastic properties of a single-walled carbon nanotube via a molecular mechanics model.
• Numerical simulation of crack growth in an isotropic solid with randomized internal cohesive bonds
• The Quantum Mechanics of Atoms and Molecules

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