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Elsevier, Computer Physics Communications, 2(153), p. 209-226

DOI: 10.1016/s0010-4655(03)00199-1

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Dynamical geometry for multiscale dissipative particle dynamics

Journal article published in 2003 by G. De Fabritiis ORCID, P. V. Coveney
This paper is available in a repository.
This paper is available in a repository.

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Abstract

In this paper, we review the computational aspects of a multiscale dissipative particle dynamics model for complex fluid simulations based on the feature-rich geometry of the Voronoi tessellation. The geometrical features of the model are critical since the mesh is directly connected to the physics by the interpretation of the Voronoi volumes of the tessellation as coarse-grained fluid clusters. The Voronoi tessellation is maintained dynamically in time to model the fluid in the Lagrangian frame of reference, including imposition of periodic boundary conditions. Several algorithms to construct and maintain the periodic Voronoi tessellations are reviewed in two and three spatial dimensions and their parallel performance discussed. The insertion of polymers and colloidal particles in the fluctuating hydrodynamic solvent is described using surface boundaries. ; Comment: 28 pages, 8 figures