Using force covariance to derive effective stochastic interactions in dissipative particle dynamics.
Artikel i vetenskaplig tidskrift, 2008

There exist methods for determining effective conservative interactions in coarse-grained particle-based mesoscopic simulations. The resulting models can be used to capture thermal equilibrium behavior, but the model system we study does not correctly represent transport properties. We suggest the use of force covariance to determine the full functional form of dissipative and stochastic interactions. We show that a combination of the RDF and a force covariance function can be used to determine all interactions in dissipative particle dynamics (DPD). Furthermore, we use the method to test whether the effective interactions in DPD can be adjusted to produce a force covariance consistent with the projection of a microscopic Lennard-Jones simulation. The results indicate that the DPD ansatz may not be consistent with the underlying microscopic dynamics. We discuss how this result relates to theoretical studies reported in the literature.

Författare

[Person 7e6be259-d995-4286-8d11-c81c6a20053b not found]

Chalmers, Energi och miljö

[Person b5dd5830-50c1-401f-b1a6-00d0d5528358 not found]

Chalmers, Energi och miljö, Fysisk resursteori

[Person 0301f643-afb2-4777-ae3a-97d0a8f5deb3 not found]

Chalmers, Energi och miljö, Fysisk resursteori

[Person 00bfbf83-3677-4b64-9fb4-c3645bee49ff not found]

Chalmers, Energi och miljö

Physical Review E

24700045 (ISSN) 24700053 (eISSN)

Vol. 77 1

Ämneskategorier

Fysik

DOI

10.1103/PhysRevE.77.016707

Mer information

Skapat

2017-10-06