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A particle-based multiscale model for submicron fluid flows
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10.1063/1.3073041
/content/aip/journal/pof2/21/2/10.1063/1.3073041
http://aip.metastore.ingenta.com/content/aip/journal/pof2/21/2/10.1063/1.3073041

Figures

Image of FIG. 1.
FIG. 1.

Schematic of the multiscale approach employed to couple atomistic and continuum-based simulation techniques.

Image of FIG. 2.
FIG. 2.

Illustration of the multiscale model and its variables.

Image of FIG. 3.
FIG. 3.

DPD conservative force coefficient in MD units; .

Image of FIG. 4.
FIG. 4.

Selection of by matching the two interparticle forces at the interface.

Image of FIG. 5.
FIG. 5.

Transition from hard-core LJ to soft-core DPD interparticle force.

Image of FIG. 6.
FIG. 6.

Implementation elements of the multiscale model.

Image of FIG. 7.
FIG. 7.

Schematic of the computational setup for Poiseuille flow simulations.

Image of FIG. 8.
FIG. 8.

Molecules/particles in the two layers after 1000 time steps.

Image of FIG. 9.
FIG. 9.

System temperature in the two layers for the multiscale simulation.

Image of FIG. 10.
FIG. 10.

Number of particles in the two layers and the total number of molecules/fine particles in the domain.

Image of FIG. 11.
FIG. 11.

Density profile across the channel in the multiscale simulation.

Image of FIG. 12.
FIG. 12.

Velocity profile across the channel from the multiscale model.

Image of FIG. 13.
FIG. 13.

(Top) system temperature in the two layers with time and (bottom) velocity profile across the channel from the multiscale model with .

Image of FIG. 14.
FIG. 14.

Velocity profiles for decreasing densities at .

Image of FIG. 15.
FIG. 15.

Velocity profiles for different values of wall-fluid interaction ratio, .

Image of FIG. 16.
FIG. 16.

Wall slip from the multiscale model.

Image of FIG. 17.
FIG. 17.

Velocity profile across the channel; .

Image of FIG. 18.
FIG. 18.

Computational setup for flow past a rough wall.

Image of FIG. 19.
FIG. 19.

Velocity vectors for flow past rough wall from the multiscale simulation compared with full-scale MD simulation.

Image of FIG. 20.
FIG. 20.

Steady velocity and density profiles at different axial locations; (a) , (b) , and (c) .

Image of FIG. 21.
FIG. 21.

Computational efficiency as a function of coarse-graining factors.

Tables

Generic image for table
Table I.

Simulation parameters for Poiseuille flow simulations.

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/content/aip/journal/pof2/21/2/10.1063/1.3073041
2009-02-25
2014-04-17
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: A particle-based multiscale model for submicron fluid flows
http://aip.metastore.ingenta.com/content/aip/journal/pof2/21/2/10.1063/1.3073041
10.1063/1.3073041
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