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An atomistic-based finite deformation membrane for single layer crystalline films
Arroyo Balaguer, Marino; Belytschko, T
Universitat Politècnica de Catalunya. Departament de Matemàtica Aplicada III; Universitat Politècnica de Catalunya. LACÀN - Centre Específic de Recerca de Mètodes Numèrics en Ciències Aplicades i Enginyeria
A general methodology to develop hyper-elastic membrane models applicable to crystalline films one-atom thick is presented. In this method, an extension of the Born rule based on the exponential map is proposed. The exponential map accounts for the fact that the lattice vectors of the crystal lie along the chords of the curved membrane, and consequently a tangent map like the standard Born rule is inadequate. In order to obtain practical methods, the exponential map is locally approximated. The effectiveness of our approach is demonstrated by numerical studies of carbon nanotubes. Deformed configurations as well as equilibrium energies of atomistic simulations are compared with those provided by the continuum membrane resulting from this method discretized by finite elements.
Peer Reviewed
Àrees temàtiques de la UPC::Matemàtiques i estadística::Anàlisi numèrica::Mètodes en elements finits
Finite element method
Nanotubes, Carbon
Constitutive behavior
Shells and membranes
Finite elements
Atomistic models
Elements finits, Mètode dels
Nanotubs de carboni
Attribution-NonCommercial-NoDerivs 3.0 Spain

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