Concurrent quantum/continuum coupling analysis of nanostructures

DOI10.1016/J.CMA.2008.01.007zbMath1159.74304OpenAlexW1980538106MaRDI QIDQ1013876

Wing Kam Liu, Dong Qian, Qingjin Zheng

Publication date: 23 April 2009

Published in: Computer Methods in Applied Mechanics and Engineering (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cma.2008.01.007

zbMATH Keywords

quantum mechanicsmolecular mechanicscarbon nanotubesmeshfree methodsconcurrent couplingtight-bindingelectronic structures

Mathematics Subject Classification ID

Molecular, statistical, and kinetic theories in solid mechanics (74A25)

Related Items (8)

Multiscale methods for mechanical science of complex materials: Bridging from quantum to stochastic multiresolution continuum ⋮ Frictional sliding of cylindrical punch on gradient nanostructured material coating ⋮ A domain-reduction approach to bridging-scale simulation of one-dimensional nanostructures ⋮ Torsional deformation behavior of cracked gold nano-wires ⋮ A neural network-aided Bayesian identification framework for multiscale modeling of nanocomposites ⋮ Wave propagation in graphene sheets with nonlocal elastic theory via finite element formulation ⋮ A plate model for multilayer graphene sheets and its finite element implementation via corotational formulation ⋮ Complexity science of multiscale materials via stochastic computations

Uses Software

• L-BFGS
• YAeHMOP

Cites Work

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• The influence of mechanical deformation on the electrical properties of single wall carbon nanotubes
• An introduction to computational nanomechanics and materials
• A multiscale projection method for the analysis of carbon nanotubes
• A bridging domain method for coupling continua with molecular dynamics
• Meshless methods: An overview and recent developments
• Coupling of atomistic and continuum simulations using a bridging scale decomposition.
• The elastic modulus of single-wall carbon nanotubes: a continuum analysis incorporating interatomic potentials.
• Meshfree Particle Methods
• Updating Quasi-Newton Matrices with Limited Storage
• Reproducing kernel particle methods for structural dynamics
• Reproducing kernel particle methods
• Forces in Molecules
• Simplified LCAO Method for the Periodic Potential Problem

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