1887
banner image
No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
Multiscale modeling with smoothed dissipative particle dynamics
Rent:
Rent this article for
USD
10.1063/1.4810754
/content/aip/journal/jcp/138/23/10.1063/1.4810754
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/23/10.1063/1.4810754

Figures

Image of FIG. 1.
FIG. 1.

Schematic of hydrodynamic models for different length- and time-scales.

Image of FIG. 2.
FIG. 2.

The cubic spline smoothing kernel and its derivative.

Image of FIG. 3.
FIG. 3.

(a) Density profile (computed from Eq. (2) ) in equilibrium SDPD simulations with varying resolution. The filled triangles represent the density profile for = 3 when sampling points are randomly located and are not coincident with the particle centers. The dotted line is for the input density. (b) Illustration of density computation for a point located on () and off ( ) the particle center. The large solid and dotted circles represent the support domain for and , respectively.

Image of FIG. 4.
FIG. 4.

Velocity probability density function of SDPD particles with varying smoothing length (resolution).

Image of FIG. 5.
FIG. 5.

Temperature of the SDPD fluid as a function of time for = 3.

Image of FIG. 6.
FIG. 6.

Mean square displacement of SDPD fluid particles with varying smoothing length or resolution for the SDPD fluid with μ = 2.0 and = 5. For ⩽ 3.6, the error bars (obtained for three separate runs for each ) are shown at = 1500; for larger the error bars are too small to show. The outset shows the enlarged version for = 4.8.

Image of FIG. 7.
FIG. 7.

Self-diffusion coefficient and Schmidt number (b) of SDPD fluid particles plotted as a function of varying resolution for = 5 (circles) and = 1 (squares).

Image of FIG. 8.
FIG. 8.

Diffusion coefficient of the SDPD fluid (symbols) vs smoothing length at different thermodynamic state points. The dotted lines are from the MD simulations at the same state points.

Image of FIG. 9.
FIG. 9.

Diffusion coefficient as a function of coarse-graining parameter obtained using SDPD (this work) and standard DPD models (from Ref. ) that represent Lennard-Jones fluid (dashed line) with ρ = 0.8 and = 1.

Image of FIG. 10.
FIG. 10.

The radial distribution function of the SDPD fluid for different resolutions.

Image of FIG. 11.
FIG. 11.

Adaptive resolution scheme for SDPD fluid. A diffuse interface consisting of coarsening, refining, and overlap subregions separates the two levels of SDPD particle.

Image of FIG. 12.
FIG. 12.

Schematic of the computational set up for multiscale SDPD simulations under equilibrium conditions. The dashed lines represent the diffuse interface region separating two resolutions.

Image of FIG. 13.
FIG. 13.

Smoothing length (a) and mass density (b) profiles in the box for multiscale simulations combining two resolutions. The dashed-dotted lines represent the interface regions.

Image of FIG. 14.
FIG. 14.

Illustration of the implementation of a no-slip boundary.

Image of FIG. 15.
FIG. 15.

Schematic of the computational set up for multiscale SDPD simulations of the shear flow between two parallel plates. The dashed lines represent the diffuse interface region separating two resolutions. The wall and fluid particles are represented by filled and open circles, respectively.

Image of FIG. 16.
FIG. 16.

Mass density (a) and smoothing length (b) profiles in the box for multiscale shear flow simulations combining two resolutions. The dashed-dotted lines represent the interface regions.

Image of FIG. 17.
FIG. 17.

Time evolution of the velocity profile for start-up shear flow obtained using multiscale SDPD (circles), single resolution SDPD (squares), and the analytical solution (lines). In nearly all cases, the squares lay almost exactly behind the circles. The lines from top to bottom represent dimensionless time ν/ of 1.0, 0.3125, 0.1875, and 0.125.

Tables

Generic image for table
Table I.

SDPD simulation parameters described in LJ units.

Loading

Article metrics loading...

/content/aip/journal/jcp/138/23/10.1063/1.4810754
2013-06-18
2014-04-19
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Multiscale modeling with smoothed dissipative particle dynamics
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/23/10.1063/1.4810754
10.1063/1.4810754
SEARCH_EXPAND_ITEM