Multiresolution molecular mechanics: dynamics

DOI10.1016/J.CMA.2014.02.007MaRDI QIDQ459296zbMATH OpenOpenAlexFDO

Authors Emre Biyikli, Qingcheng Yang, Albert C. To

Publication date 8 October 2014

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.2014.02.007

zbMATH Keywords

atomistic/continuum methodinterface compatibilitymolecular dynamicsmultiscale modeling

Mathematics Subject Classification ID

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

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Cites work

• A bridging domain method for coupling continua with molecular dynamics
• A damping boundary condition for coupled atomistic-continuum simulations
• A multiscale projection method for the analysis of carbon nanotubes
• A quasicontinuum methodology for multiscale analyses of discrete microstructural models
• A variational formulation of the quasicontinuum method based on energy sampling in clusters
• An adaptive finite element approach to atomic-scale mechanics. -- The quasicontinuum method
• An analysis of the quasicontinuum method
• An introduction and tutorial on multiple-scale analysis in solids
• An introduction to computational nanomechanics and materials
• Atom collocation method
• Concurrent AtC coupling based on a blend of the continuum stress and the atomistic force
• Connecting Atomistic-to-Continuum Coupling and Domain Decomposition
• Coupling of atomistic and continuum simulations using a bridging scale decomposition.
• Fast parallel algorithms for short-range molecular dynamics
• Multiresolution molecular mechanics: convergence and error structure analysis
• Multiresolution molecular mechanics: statics
• On Atomistic-to-Continuum Coupling by Blending
• The atomic-scale finite element method
• Three-dimensional bridging scale analysis of dynamic fracture

Cited in

(19)

• Multiscale coupling schemes spanning the quantum mechanical, atomistic forcefield, and continuum regimes
• Multiresolution molecular mechanics: a unified and consistent framework for general finite element shape functions
• Molecular dynamics at an energy-level crossing
• A space-time multilevel method for molecular dynamics simulations
• Multiresolution molecular mechanics: adaptive analysis
• Multiresolution molecular mechanics: statics
• A multiscale molecular dynamics method for isothermal dynamic problems using the seamless heterogeneous multiscale method
• An improved smoothed molecular dynamics method by alternating with molecular dynamics
• A parallel algorithm for the concurrent atomistic-continuum methodology
• Coupling molecular dynamics and continua with weak constraints
• Multiscale simulation using generalized interpolation material point (GIMP) method and molecular dynamics (MD)
• Multiscale modeling of amorphous materials with adaptivity
• scientific article; zbMATH DE number 5184489 (Why is no real title available?)
• Multiresolution molecular mechanics: convergence and error structure analysis
• Higher‐order quasicontinuum methods for elastic and dissipative lattice models: uniaxial deformation and pure bending
• Molecular Dynamics
• Seamless coupling of molecular dynamics and material point method via smoothed molecular dynamics
• Molecular dynamics-smoothed molecular dynamics (MD-SMD) adaptive coupling method with seamless transition
• Method of molecular dynamics in mechanics of deformable solids

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