Concurrent quantum/continuum coupling analysis of nanostructures

DOI10.1016/J.CMA.2008.01.007MaRDI QIDQ1013876zbMATH OpenOpenAlexFDO

Authors Dong Qian, Wing K. Liu, 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 mechanicscarbon nanotubesmolecular mechanicsmeshfree methodsconcurrent couplingtight-bindingelectronic structures

Mathematics Subject Classification ID

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

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Cites work

• scientific article; zbMATH DE number 3116475 (Why is no real title available?)
• scientific article; zbMATH DE number 108067 (Why is no real title available?)
• scientific article; zbMATH DE number 1961064 (Why is no real title available?)
• scientific article; zbMATH DE number 1497417 (Why is no real title available?)
• A bridging domain method for coupling continua with molecular dynamics
• A multiscale projection method for the analysis of carbon nanotubes
• An introduction to computational nanomechanics and materials
• Coupling of atomistic and continuum simulations using a bridging scale decomposition.
• Forces in Molecules
• Meshfree Particle Methods
• Meshless methods: An overview and recent developments
• Reproducing kernel particle methods
• Reproducing kernel particle methods for structural dynamics
• Simplified LCAO Method for the Periodic Potential Problem
• The elastic modulus of single-wall carbon nanotubes: a continuum analysis incorporating interatomic potentials.
• The influence of mechanical deformation on the electrical properties of single wall carbon nanotubes
• Updating Quasi-Newton Matrices with Limited Storage

Cited in

(14)

• Frictional sliding of cylindrical punch on gradient nanostructured material coating
• Complexity science of multiscale materials via stochastic computations
• The dependence of electronic transport on compressive deformation of \(\text{C}_{60}\) molecule
• scientific article; zbMATH DE number 6450586 (Why is no real title available?)
• Band gap variations in an AFM tip-deformed metallic carbon nanotube
• Recent computational developments in quantum conductance and field emission of carbon nanotubes
• Wave propagation in graphene sheets with nonlocal elastic theory via finite element formulation
• A neural network-aided Bayesian identification framework for multiscale modeling of nanocomposites
• Multiscale methods for mechanical science of complex materials: bridging from quantum to stochastic multiresolution continuum
• A domain-reduction approach to bridging-scale simulation of one-dimensional nanostructures
• A hybrid classical-quantum approach for ultra-scaled confined nanostructures: modeling and simulation
• Torsional deformation behavior of cracked gold nano-wires
• Electronic and transport properties of radially deformed zigzag single-walled carbon nanotubes
• A plate model for multilayer graphene sheets and its finite element implementation via corotational formulation

Describes a project that uses

Uses Software

• YAeHMOP
• L-BFGS

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