5,358 research outputs found
Progress in the Understanding of the Fluctuating Lattice Boltzmann Equation
We give a brief account of the development of methods to include thermal
fluctuations into lattice Boltzmann algorithms. Emphasis is put on our recent
work (Phys. Rev. E 76, 036704 (2007)) which provides a clear understanding in
terms of statistical mechanics.Comment: Conference paper for CCP 2008, submitted to Computer Physics
Communication
An improved dissipative coupling scheme for a system of Molecular Dynamics particles interacting with a Lattice Boltzmann fluid
We consider the dissipative coupling between a stochastic Lattice Boltzmann
(LB) fluid and a particle-based Molecular Dynamics (MD) system, as it was first
introduced by Ahlrichs and D\"unweg (J. Chem. Phys. 111 (1999) 8225). The fluid
velocity at the position of a particle is determined by interpolation, such
that a Stokes friction force gives rise to an exchange of momentum between the
particle and the surrounding fluid nodes. For efficiency reasons, the LB time
step is chosen as a multiple of the MD time step, such that the MD system is
updated more frequently than the LB fluid. In this situation, there are
different ways to implement the coupling: Either the fluid velocity at the
surrounding nodes is only updated every LB time step, or it is updated every MD
step. It is demonstrated that the latter choice, which enforces momentum
conservation on a significantly shorter time scale, is clearly superior in
terms of stability and accuracy, and nevertheless only marginally slower in
terms of execution speed. The second variant is therefore the recommended
implementation.Comment: 16 pages, 6 figure
Lattice Boltzmann simulations of soft matter systems
This article concerns numerical simulations of the dynamics of particles
immersed in a continuum solvent. As prototypical systems, we consider colloidal
dispersions of spherical particles and solutions of uncharged polymers. After a
brief explanation of the concept of hydrodynamic interactions, we give a
general overview over the various simulation methods that have been developed
to cope with the resulting computational problems. We then focus on the
approach we have developed, which couples a system of particles to a lattice
Boltzmann model representing the solvent degrees of freedom. The standard D3Q19
lattice Boltzmann model is derived and explained in depth, followed by a
detailed discussion of complementary methods for the coupling of solvent and
solute. Colloidal dispersions are best described in terms of extended particles
with appropriate boundary conditions at the surfaces, while particles with
internal degrees of freedom are easier to simulate as an arrangement of mass
points with frictional coupling to the solvent. In both cases, particular care
has been taken to simulate thermal fluctuations in a consistent way. The
usefulness of this methodology is illustrated by studies from our own research,
where the dynamics of colloidal and polymeric systems has been investigated in
both equilibrium and nonequilibrium situations.Comment: Review article, submitted to Advances in Polymer Science. 16 figures,
76 page
Capillary filling with wall corrugations] Capillary filling in microchannels with wall corrugations: A comparative study of the Concus-Finn criterion by continuum, kinetic and atomistic approaches
We study the impact of wall corrugations in microchannels on the process of
capillary filling by means of three broadly used methods - Computational Fluid
Dynamics (CFD), Lattice-Boltzmann Equations (LBE) and Molecular Dynamics (MD).
The numerical results of these approaches are compared and tested against the
Concus-Finn (CF) criterion, which predicts pinning of the contact line at
rectangular ridges perpendicular to flow for contact angles theta > 45. While
for theta = 30, theta = 40 (no flow) and theta = 60 (flow) all methods are
found to produce data consistent with the CF criterion, at theta = 50 the
numerical experiments provide different results. Whilst pinning of the liquid
front is observed both in the LB and CFD simulations, MD simulations show that
molecular fluctuations allow front propagation even above the critical value
predicted by the deterministic CF criterion, thereby introducing a sensitivity
to the obstacle heigth.Comment: 25 pages, 8 figures, Langmuir in pres
Hydrodynamic Spinodal Decomposition: Growth Kinetics and Scaling Functions
We examine the effects of hydrodynamics on the late stage kinetics in
spinodal decomposition. From computer simulations of a lattice Boltzmann scheme
we observe, for critical quenches, that single phase domains grow
asymptotically like , with in two dimensions
and in three dimensions, both in excellent agreement with
theoretical predictions.Comment: 12 pages, latex, Physical Review B Rapid Communication (in press
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