11,505 research outputs found
Geometric Cluster Algorithm for Interacting Fluids
We discuss a new Monte Carlo algorithm for the simulation of complex fluids.
This algorithm employs geometric operations to identify clusters of particles
that can be moved in a rejection-free way. It is demonstrated that this
geometric cluster algorithm (GCA) constitutes the continuum generalization of
the Swendsen-Wang and Wolff cluster algorithms for spin systems. Because of its
nonlocal nature, it is particularly well suited for the simulation of fluid
systems containing particles of widely varying sizes. The efficiency
improvement with respect to conventional simulation algorithms is a rapidly
growing function of the size asymmetry between the constituents of the system.
We study the cluster-size distribution for a Lennard-Jones fluid as a function
of density and temperature and provide a comparison between the generalized GCA
and the hard-core GCA for a size-asymmetric mixture with Yukawa-type couplings.Comment: To appear in "Computer Simulation Studies in Condensed-Matter Physics
XVII". Edited by D.P. Landau, S.P. Lewis and H.B. Schuettler. Springer,
Heidelberg, 200
Rejection-free Geometric Cluster Algorithm for Complex Fluids
We present a novel, generally applicable Monte Carlo algorithm for the
simulation of fluid systems. Geometric transformations are used to identify
clusters of particles in such a manner that every cluster move is accepted,
irrespective of the nature of the pair interactions. The rejection-free and
non-local nature of the algorithm make it particularly suitable for the
efficient simulation of complex fluids with components of widely varying size,
such as colloidal mixtures. Compared to conventional simulation algorithms,
typical efficiency improvements amount to several orders of magnitude
Generalized Geometric Cluster Algorithm for Fluid Simulation
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.Comment: Accepted for publication in Phys. Rev. E. Follow-up to
cond-mat/041274
A New Monte Carlo Method and Its Implications for Generalized Cluster Algorithms
We describe a novel switching algorithm based on a ``reverse'' Monte Carlo
method, in which the potential is stochastically modified before the system
configuration is moved. This new algorithm facilitates a generalized
formulation of cluster-type Monte Carlo methods, and the generalization makes
it possible to derive cluster algorithms for systems with both discrete and
continuous degrees of freedom. The roughening transition in the sine-Gordon
model has been studied with this method, and high-accuracy simulations for
system sizes up to were carried out to examine the logarithmic
divergence of the surface roughness above the transition temperature, revealing
clear evidence for universal scaling of the Kosterlitz-Thouless type.Comment: 4 pages, 2 figures. Phys. Rev. Lett. (in press
Influence of primary particle density in the morphology of agglomerates
Agglomeration processes occur in many different realms of science such as
colloid and aerosol formation or formation of bacterial colonies. We study the
influence of primary particle density in agglomerate structure using
diffusion-controlled Monte Carlo simulations with realistic space scales
through different regimes (DLA and DLCA). The equivalence of Monte Carlo time
steps to real time scales is given by Hirsch's hydrodynamical theory of
Brownian motion. Agglomerate behavior at different time stages of the
simulations suggests that three indices (fractal exponent, coordination number
and eccentricity index) characterize agglomerate geometry. Using these indices,
we have found that the initial density of primary particles greatly influences
the final structure of the agglomerate as observed in recent experimental
works.Comment: 11 pages, 13 figures, PRE, to appea
Selective-pivot sampling of radial distribution functions in asymmetric liquid mixtures
We present a Monte Carlo algorithm for selectively sampling radial
distribution functions and effective interaction potentials in asymmetric
liquid mixtures. We demonstrate its efficiency for hard-sphere mixtures, and
for model systems with more general interactions, and compare our simulations
with several analytical approximations. For interaction potentials containing a
hard-sphere contribution, the algorithm yields the contact value of the radial
distribution function.Comment: 5 pages, 5 figure
Colloidal stabilization via nanoparticle haloing
We present a detailed numerical study of effective interactions between
micron-sized silica spheres, induced by highly charged zirconia nanoparticles.
It is demonstrated that the effective interactions are consistent with a
recently discovered mechanism for colloidal stabilization. In accordance with
the experimental observations, small nanoparticle concentrations induce an
effective repulsion that counteracts the intrinsic van der Waals attraction
between the colloids and thus stabilizes the suspension. At higher nanoparticle
concentrations an attractive potential is recovered, resulting in reentrant
gelation. Monte Carlo simulations of this highly size-asymmetric mixture are
made possible by means of a geometric cluster Monte Carlo algorithm. A
comparison is made to results obtained from the Ornstein-Zernike equations with
the hypernetted-chain closure
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