Generalized Geometric Cluster Algorithm for Fluid Simulation

Details Generalized Geometric Cluster Algorithm for Fluid Simulation Generalized Geometric Cluster Algorithm for Fluid Simulation

2005-03-17

arxiv.org/abs/cond-mat/0503448v1

Phys. Rev. E 71, 066701 (2005)

Physics

Condensed Matter

Statistical Mechanics

Accepted for publication in Phys. Rev. E. Follow-up to cond-mat/0412744

Scientific paper

10.1103/PhysRevE.71.066701

We present a detailed description of the generalized geometric cluster algorithm for the efficient simulation of continuum fluids. The connection with well-known cluster algorithms for lattice spin models is discussed, and an explicit full cluster decomposition is derived for a particle configuration in a fluid. We investigate a number of basic properties of the geometric cluster algorithm, including the dependence of the cluster-size distribution on density and temperature. Practical aspects of its implementation and possible extensions are discussed. The capabilities and efficiency of our approach are illustrated by means of two example studies.

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