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A practical method to avoid bond crossing in two-dimensional dissipative particle dynamics simulations
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10.1063/1.2953694
/content/aip/journal/jcp/129/2/10.1063/1.2953694
http://aip.metastore.ingenta.com/content/aip/journal/jcp/129/2/10.1063/1.2953694
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Sketch of the piecewise conservative force between the particles in the modified DPD model.

Image of FIG. 2.
FIG. 2.

RDF of the monomer systems when we add the rigid cores to the particles. The RDF of the monomer system in standard DPD is also shown for comparison.

Image of FIG. 3.
FIG. 3.

The schematic representation of the geometry constraint condition of the bond crossing in (a) three dimensions and (b) two dimensions.

Image of FIG. 4.
FIG. 4.

Snapshot of a typical configuration for a chain with . For clarity, we only show a fraction of size out of the simulation box.

Image of FIG. 5.
FIG. 5.

(a) Pressures obtained from the simulations of standard and modified DPD models (symbols) and the corresponding parabola fits (lines). (b) divided by , which is calculated from (a). All results are obtained with the parameter .

Image of FIG. 6.
FIG. 6.

Time evolution of the MSDs of the center of mass and of the innermost monomer divided by (a) and (b) , respectively.

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/content/aip/journal/jcp/129/2/10.1063/1.2953694
2008-07-10
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: A practical method to avoid bond crossing in two-dimensional dissipative particle dynamics simulations
http://aip.metastore.ingenta.com/content/aip/journal/jcp/129/2/10.1063/1.2953694
10.1063/1.2953694
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