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Phys. Rev. E 62, R7611–R7614 (2000)

Towards better integrators for dissipative particle dynamics simulations

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Gerhard Besold1,*, Ilpo Vattulainen1, Mikko Karttunen2, and James M. Polson3
1Department of Chemistry, Technical University of Denmark, Building 207, DK-2800 Lyngby, Denmark
2Max Planck Institute for Polymer Research, Theory Group, P.O. Box 3148, D-55021 Mainz, Germany
3Department of Physics, University of Prince Edward Island, 550 University Avenue, Charlottetown, PEI, Canada C1A 4P3

Received 25 July 2000; published in the issue dated December 2000

Coarse-grained models that preserve hydrodynamics provide a natural approach to study collective properties of soft-matter systems. Here, we demonstrate that commonly used integration schemes in dissipative particle dynamics give rise to pronounced artifacts in physical quantities such as the compressibility and the diffusion coefficient. We assess the quality of these integration schemes, including variants based on a recently suggested self-consistent approach, and examine their relative performance. Implications of integrator-induced effects are discussed.

© 2000 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevE.62.R7611
DOI:
10.1103/PhysRevE.62.R7611
PACS:
02.70.Ns, 47.11.+j, 05.40.-a

*Corresponding author. Present address: Max Planck Institute for Polymer Research, Mainz, Germany. Electronic address: besold@mpip-mainz.mpg.de

 
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