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Constant-pressure and constant-surface tension simulations in dissipative particle dynamics
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Image of FIG. 1.
FIG. 1.

The extended energy as defined in Eq. (10) for a simple fluid with . The total number of integration steps is 200 000.

Image of FIG. 2.
FIG. 2.

Probability distribution of the volume fluctuations.

Image of FIG. 3.
FIG. 3.

Power spectrum of the kinetic temperature for the simple fluid. The spectrum has been smoothed with a Savitsky–Golay filter.

Image of FIG. 4.
FIG. 4.

Equilibration of the pressure when the system is prepared in a state far from equilibrium.

Image of FIG. 5.
FIG. 5.

Autocorrelation of the pressure for the simple DPD fluid.

Image of FIG. 6.
FIG. 6.

The bilayer model of Shillcock and Lipowsky. The dark beads represent the lipid head group and the light beads represent the carbons along the lipid tails.

Image of FIG. 7.
FIG. 7.

Autocorrelation function of the instantaneous surface tension. The abscissas are in DPD time units. The full lines correspond to the extended system approach and the dashed line correspond to the Langevin piston. (a) Autocorrelation of . (b) Instantaneous surface tension . (c) Box dimension in the direction . (d) The linear dimension of the plane.


Generic image for table
Table I.

The nonbonded soft interactions from Ref. 13. The head bead is denoted by , the tail bead by , and the water bead by .


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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Constant-pressure and constant-surface tension simulations in dissipative particle dynamics