Annihilating random walks in one-dimensional disordered media

We study diffusion-limited pair annihilation $A+A\to 0$ on one-dimensional lattices with inhomogeneous nearest neighbour hopping in the limit of infinite reaction rate. We obtain a simple exact expression for the particle concentration $\rho_k(t)$ of the many-particle system in terms of the conditional probabilities $P(m;t|l;0)$ for a single random walker in a dual medium. For some disordered systems with an initially randomly filled lattice this leads asymptotically to $\bar{\rho(t)}=\bar{P(0;2t|0;0)}$ for the disorder-averaged particle density. We also obtain interesting exact relations for single-particle conditional probabilities in random media related by duality, such as random-barrier and random-trap systems. For some specific random barrier systems the Smoluchovsky approach to diffusion-limited annihilation turns out to fail.Comment: LaTeX, 2 eps-figures, to be published in PR

Single-Particle Diffusion-Coefficient on Surfaces with Ehrlich-Schwoebel-Barriers

The diffusion coefficient of single particles in the presence of Ehrlich-Schwoebel barriers (ESB)is considered. An exact expression is given for the diffusion coefficient on linear chains with random arrangements of ESB. The results are extended to surfaces having ESB with uniform extension in one or both directions. All results are verified by Monte Carlo simulations.Comment: 11 pages, LaTeX2e, 6 eps-figure

Dynamic regimes of fluids simulated by multiparticle-collision dynamics

We investigate the hydrodynamic properties of a fluid simulated with a mesoscopic solvent model. Two distinct regimes are identified, the `particle regime' in which the dynamics is gas-like, and the `collective regime' where the dynamics is fluid-like. This behavior can be characterized by the Schmidt number, which measures the ratio between viscous and diffusive transport. Analytical expressions for the tracer diffusion coefficient, which have been derived on the basis of a molecular-chaos assumption, are found to describe the simulation data very well in the particle regime, but important deviations are found in the collective regime. These deviations are due to hydrodynamic correlations. The model is then extended in order to investigate self-diffusion in colloidal dispersions. We study first the transport properties of heavy point-like particles in the mesoscopic solvent, as a function of their mass and number density. Second, we introduce excluded-volume interactions among the colloidal particles and determine the dependence of the diffusion coefficient on the colloidal volume fraction for different solvent mean-free paths. In the collective regime, the results are found to be in good agreement with previous theoretical predictions based on Stokes hydrodynamics and the Smoluchowski equation.Comment: 15 pages, 15 figure

A Numerical Model for Brownian Particles Fluctuating in Incompressible Fluids

We present a numerical method that consistently implements thermal fluctuations and hydrodynamic interactions to the motion of Brownian particles dispersed in incompressible host fluids. In this method, the thermal fluctuations are introduced as random forces acting on the Brownian particles. The hydrodynamic interactions are introduced by directly resolving the fluid motions with the particle motion as a boundary condition to be satisfied. The validity of the method has been examined carefully by comparing the present numerical results with the fluctuation-dissipation theorem whose analytical form is known for dispersions of a single spherical particle. Simulations are then performed for more complicated systems, such as a dispersion composed of many spherical particles and a single polymeric chain in a solvent.Comment: 6 pages, 8 figure

Diffusion with rearranging traps

A model for diffusion on a cubic lattice with a random distribution of traps is developed. The traps are redistributed at certain time intervals. Such models are useful for describing systems showing dynamic disorder, such as ion-conducting polymers. In the present model the traps are infinite, unlike an earlier version with finite traps, this model has a percolation threshold. For the infinite trap version a simple analytical calculation is possible and the results agree qualitatively with simulation.Comment: Latex, five figure

Branching and annihilating Levy flights

We consider a system of particles undergoing the branching and annihilating reactions A -> (m+1)A and A + A -> 0, with m even. The particles move via long-range Levy flights, where the probability of moving a distance r decays as r^{-d-sigma}. We analyze this system of branching and annihilating Levy flights (BALF) using field theoretic renormalization group techniques close to the upper critical dimension d_c=sigma, with sigma<2. These results are then compared with Monte-Carlo simulations in d=1. For sigma close to unity in d=1, the critical point for the transition from an absorbing to an active phase occurs at zero branching. However, for sigma bigger than about 3/2 in d=1, the critical branching rate moves smoothly away from zero with increasing sigma, and the transition lies in a different universality class, inaccessible to controlled perturbative expansions. We measure the exponents in both universality classes and examine their behavior as a function of sigma.Comment: 9 pages, 4 figure

The one-dimensional contact process: duality and renormalisation

We study the one-dimensional contact process in its quantum version using a recently proposed real space renormalisation technique for stochastic many-particle systems. Exploiting the duality and other properties of the model, we can apply the method for cells with up to 37 sites. After suitable extrapolation, we obtain exponent estimates which are comparable in accuracy with the best known in the literature.Comment: 15 page

A Method of Intervals for the Study of Diffusion-Limited Annihilation, A + A --> 0

We introduce a method of intervals for the analysis of diffusion-limited annihilation, A+A -> 0, on the line. The method leads to manageable diffusion equations whose interpretation is intuitively clear. As an example, we treat the following cases: (a) annihilation in the infinite line and in infinite (discrete) chains; (b) annihilation with input of single particles, adjacent particle pairs, and particle pairs separated by a given distance; (c) annihilation, A+A -> 0, along with the birth reaction A -> 3A, on finite rings, with and without diffusion.Comment: RevTeX, 13 pages, 4 figures, 1 table. References Added, and some other minor changes, to conform with final for

Surface Critical Behavior in Systems with Non-Equilibrium Phase Transitions

We study the surface critical behavior of branching-annihilating random walks with an even number of offspring (BARW) and directed percolation (DP) using a variety of theoretical techniques. Above the upper critical dimensions d_c, with d_c=4 (DP) and d_c=2 (BARW), we use mean field theory to analyze the surface phase diagrams using the standard classification into ordinary, special, surface, and extraordinary transitions. For the case of BARW, at or below the upper critical dimension, we use field theoretic methods to study the effects of fluctuations. As in the bulk, the field theory suffers from technical difficulties associated with the presence of a second critical dimension. However, we are still able to analyze the phase diagrams for BARW in d=1,2, which turn out to be very different from their mean field analog. Furthermore, for the case of BARW only (and not for DP), we find two independent surface beta_1 exponents in d=1, arising from two distinct definitions of the order parameter. Using an exact duality transformation on a lattice BARW model in d=1, we uncover a relationship between these two surface beta_1 exponents at the ordinary and special transitions. Many of our predictions are supported using Monte-Carlo simulations of two different models belonging to the BARW universality class.Comment: 19 pages, 12 figures, minor additions, 1 reference adde

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