Dynamical geometry for multiscale dissipative particle dynamics

TL;DR

This paper reviews a multiscale dissipative particle dynamics model that uses dynamic Voronoi tessellations to simulate complex fluids, emphasizing geometric features and computational algorithms for fluid modeling.

Contribution

It introduces and discusses algorithms for maintaining dynamic Voronoi tessellations in multiscale fluid simulations, connecting geometry directly to physics.

Findings

Efficient algorithms for periodic Voronoi tessellations in 2D and 3D.

Analysis of parallel performance of tessellation algorithms.

Method for inserting polymers and colloids via surface boundaries.

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.