Multiscale simulation of water flow past a C₅₄₀ fullerene

DOI10.1016/J.JCP.2011.12.015MaRDI QIDQ419635zbMATH OpenOpenAlexFDO

Authors Matej Praprotnik, Evangelos M. Kotsalis, Petros Koumoutsakos, Jens H. Walther

Publication date 18 May 2012

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

Full work available at URL https://doi.org/10.1016/j.jcp.2011.12.015

zbMATH Keywords

domain decompositionmolecular dynamicslattice-Boltzmann methodbuckyballflux-based algorithm

Mathematics Subject Classification ID

Navier-Stokes equations for incompressible viscous fluids (76D05) Particle methods and lattice-gas methods (76M28)

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Cites work

• scientific article; zbMATH DE number 3245332 (Why is no real title available?)
• A hybrid particle-continuum method for hydrodynamics of complex fluids
• Heterogeneous multiscale methods: a review
• Hybrid atomistic--continuum method for the simulation of dense fluid flows
• Stokes flow past a porous sphere using Brinkman's model
• Triple-decker: Interfacing atomistic-mesoscopic-continuum flow regimes

Cited in

(3)

• Molecular systems with open boundaries: theory and simulation
• Convergence of methods for coupling of microscopic and mesoscopic reaction-diffusion simulations
• Multiscale universal interface: a concurrent framework for coupling heterogeneous solvers

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