A multiscale MD-FE model of diffusion in composite media with internal surface interaction based on numerical homogenization procedure

DOI10.1016/J.CMA.2013.11.010MaRDI QIDQ460992zbMATH OpenOpenAlexWikidataFDO

Authors M. Kojic, M. Milosevic, N. Kojic, K. Kim, M. Ferrari, A. Ziemys

Publication date 9 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.2013.11.010

zbMATH Keywords

multiscalediffusionfinite element methodhomogenizationmolecular dynamicscomposite media

Mathematics Subject Classification ID

Molecular, statistical, and kinetic theories in solid mechanics (74A25) Finite element methods applied to problems in solid mechanics (74S05) Random materials and composite materials (74A40) Homogenization and oscillations in dynamical problems of solid mechanics (74Q10) Transformations involving diffusion in solids (74N25)

Recommendations

• Hierarchical modeling of diffusive transport through nanochannels by coupling molecular dynamics with finite element method
• Multiscale simulation of colloids ingressing porous layers with evolving internal structure: a computational study
• A multiscale theoretical model for diffusive mass transfer in cellular biological media
• A molecular dynamics-continuum coupled model for heat transfer in composite materials
• On molecular diffusion in nanostructured porous media: interfacial exchange kinetics and surface diffusion

Cites work

• scientific article; zbMATH DE number 5719287 (Why is no real title available?)
• scientific article; zbMATH DE number 3627589 (Why is no real title available?)
• Derivation of a Macroscopic Receptor-Based Model Using Homogenization Techniques
• Hierarchical modeling of diffusive transport through nanochannels by coupling molecular dynamics with finite element method
• Homogenization and concentration for a diffusion equation with large convection in a bounded domain
• Homogenization and porous media
• Modeling large-deformation-induced microflow in soft biological tissues
• Modelling calcium microdomains using homogenisation
• Multiscale modeling of fluid transport in tumors
• Simplified methods and a posteriori error estimation for the homogenization of representative volume elements (RVE)
• The Art of Molecular Dynamics Simulation

Cited in

(6)

• Correction function for accuracy improvement of the composite smeared finite element for diffusive transport in biological tissue systems
• A composite smeared finite element for mass transport in capillary systems and biological tissue
• A multi-scale FE model for convective-diffusive drug transport within tumor and large vascular networks
• The heterogeneous multiscale method to study particle size and partitioning effects in drug delivery
• Hierarchical modeling of diffusive transport through nanochannels by coupling molecular dynamics with finite element method
• On molecular diffusion in nanostructured porous media: interfacial exchange kinetics and surface diffusion

Describes a project that uses

Uses Software

• NAMD

This page was built for publication: A multiscale MD-FE model of diffusion in composite media with internal surface interaction based on numerical homogenization procedure

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q460992)