A multiscale modeling technique for bridging molecular dynamics with finite element method

DOI10.1016/J.JCP.2013.06.039MaRDI QIDQ348096zbMATHOpenAlexFDO

Authors Yongchang Lee, Cemal Basaran

Publication date 5 December 2016

Published in Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.jcp.2013.06.039

zbMATH Keywords

multiscale modelingmolecular dynamicswave reflectionweighted averaging momentum method

Mathematics Subject Classification ID

Finite element, Rayleigh-Ritz and Galerkin methods for initial value and initial-boundary value problems involving PDEs (65M60) Classical dynamic and nonequilibrium statistical mechanics (general) (82C05)

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Cites work

• A bridging domain method for coupling continua with molecular dynamics
• A dynamic atomistic--continuum method for the simulation of crystalline materials
• A finite difference approach with velocity interfacial conditions for multiscale computations of crystalline solids
• A multiscale approach for the micropolar continuum model
• A pseudo-spectral multiscale method: interfacial conditions and coarse grid equations
• An analysis of the quasicontinuum method
• An introduction and tutorial on multiple-scale analysis in solids
• Coupling of atomistic and continuum simulations using a bridging scale decomposition.
• Multiscale modeling of the dynamics of solids at finite temperature
• Multiscale plasticity modeling: Coupled atomistics and discrete dislocation mechanics
• The atomic-scale finite element method

Cited in

(9)

• A polymorphic element formulation towards multiscale modelling of composite structures
• Analysis of coupled finite element and atomistic models
• An energetically consistent concurrent multiscale method for heterogeneous heat transfer and phase transition applications
• Enriched space-time finite element method: a new paradigm for multiscaling from elastodynamics to molecular dynamics
• An embedded statistical method for coupling molecular dynamics and finite element analyses
• Multiresolution molecular mechanics: a unified and consistent framework for general finite element shape functions
• An atomistic-based boundary element method for the reduction of molecular statics models
• Coarse-grained molecular dynamics: concurrent multiscale simulation at finite temperature
• An adaptive FE-MD model coupling approach

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