Epidemic analysis of the second-order transition in the Ziff-Gulari-Barshad surface-reaction model

We study the dynamic behavior of the Ziff-Gulari-Barshad (ZGB) irreversible surface-reaction model around its kinetic second-order phase transition, using both epidemic and poisoning-time analyses. We find that the critical point is given by p_1 = 0.3873682 \pm 0.0000015, which is lower than the previous value. We also obtain precise values of the dynamical critical exponents z, \delta, and \eta which provide further numerical evidence that this transition is in the same universality class as directed percolation.Comment: REVTEX, 4 pages, 5 figures, Submitted to Physical Review

Recent advances and open challenges in percolation

Percolation is the paradigm for random connectivity and has been one of the most applied statistical models. With simple geometrical rules a transition is obtained which is related to magnetic models. This transition is, in all dimensions, one of the most robust continuous transitions known. We present a very brief overview of more than 60 years of work in this area and discuss several open questions for a variety of models, including classical, explosive, invasion, bootstrap, and correlated percolation

Efficient Monte Carlo algorithm and high-precision results for percolation

We present a new Monte Carlo algorithm for studying site or bond percolation on any lattice. The algorithm allows us to calculate quantities such as the cluster size distribution or spanning probability over the entire range of site or bond occupation probabilities from zero to one in a single run which takes an amount of time scaling linearly with the number of sites on the lattice. We use our algorithm to determine that the percolation transition occurs at occupation probability 0.59274621(13) for site percolation on the square lattice and to provide clear numerical confirmation of the conjectured 4/3-power stretched-exponential tails in the spanning probability functions.Comment: 8 pages, including 3 postscript figures, minor corrections in this version, plus updated figures for the position of the percolation transitio

Determination of the bond percolation threshold for the Kagome lattice

The hull-gradient method is used to determine the critical threshold for bond percolation on the two-dimensional Kagome lattice (and its dual, the dice lattice). For this system, the hull walk is represented as a self-avoiding trail, or mirror-model trajectory, on the (3,4,6,4)-Archimedean tiling lattice. The result pc = 0.524 405 3(3) (one standard deviation of error) is not consistent with the previously conjectured values.Comment: 10 pages, TeX, Style file iopppt.tex, to be published in J. Phys. A. in August, 199

Kinetics of catalysis with surface disorder

We study the effects of generalised surface disorder on the monomer-monomer model of heterogeneous catalysis, where disorder is implemented by allowing different adsorption rates for each lattice site. By mapping the system in the reaction-controlled limit onto a kinetic Ising model, we derive the rate equations for the one and two-spin correlation functions. There is good agreement between these equations and numerical simulations. We then study the inclusion of desorption of monomers from the substrate, first by both species and then by just one, and find exact time-dependent solutions for the one-spin correlation functions.Comment: LaTex, 19 pages, 1 figure included, requires epsf.st

The Largest Cluster in Subcritical Percolation

The statistical behavior of the size (or mass) of the largest cluster in subcritical percolation on a finite lattice of size $N$ is investigated (below the upper critical dimension, presumably $d_c=6$). It is argued that as $N \to \infty$ the cumulative distribution function converges to the Fisher-Tippett (or Gumbel) distribution $e^{-e^{-z}}$ in a certain weak sense (when suitably normalized). The mean grows like $s_\xi^* \log N$, where $s_\xi^*(p)$ is a ``crossover size''. The standard deviation is bounded near $s_\xi^* \pi/\sqrt{6}$ with persistent fluctuations due to discreteness. These predictions are verified by Monte Carlo simulations on $d=2$ square lattices of up to 30 million sites, which also reveal finite-size scaling. The results are explained in terms of a flow in the space of probability distributions as $N \to \infty$. The subcritical segment of the physical manifold ($0 < p < p_c$) approaches a line of limit cycles where the flow is approximately described by a ``renormalization group'' from the classical theory of extreme order statistics.Comment: 16 pages, 5 figs, expanded version to appear in Phys Rev

Percolation Threshold, Fisher Exponent, and Shortest Path Exponent for 4 and 5 Dimensions

We develop a method of constructing percolation clusters that allows us to build very large clusters using very little computer memory by limiting the maximum number of sites for which we maintain state information to a number of the order of the number of sites in the largest chemical shell of the cluster being created. The memory required to grow a cluster of mass s is of the order of $s^\theta$ bytes where $\theta$ ranges from 0.4 for 2-dimensional lattices to 0.5 for 6- (or higher)-dimensional lattices. We use this method to estimate $d_{\scriptsize min}$, the exponent relating the minimum path $\ell$ to the Euclidean distance r, for 4D and 5D hypercubic lattices. Analyzing both site and bond percolation, we find $d_{\scriptsize min}=1.607\pm 0.005$ (4D) and $d_{\scriptsize min}=1.812\pm 0.006$ (5D). In order to determine $d_{\scriptsize min}$ to high precision, and without bias, it was necessary to first find precise values for the percolation threshold, $p_c$: $p_c=0.196889\pm 0.000003$ (4D) and $p_c=0.14081\pm 0.00001$ (5D) for site and $p_c=0.160130\pm 0.000003$ (4D) and $p_c=0.118174\pm 0.000004$ (5D) for bond percolation. We also calculate the Fisher exponent, $\tau$, determined in the course of calculating the values of $p_c$: $\tau=2.313\pm 0.003$ (4D) and $\tau=2.412\pm 0.004$ (5D)

Catalytic CO Oxidation on Nanoscale Pt Facets: Effect of Inter-Facet CO Diffusion on Bifurcation and Fluctuation Behavior

We present lattice-gas modeling of the steady-state behavior in CO oxidation on the facets of nanoscale metal clusters, with coupling via inter-facet CO diffusion. The model incorporates the key aspects of reaction process, such as rapid CO mobility within each facet, and strong nearest-neighbor repulsion between adsorbed O. The former justifies our use a "hybrid" simulation approach treating the CO coverage as a mean-field parameter. For an isolated facet, there is one bistable region where the system can exist in either a reactive state (with high oxygen coverage) or a (nearly CO-poisoned) inactive state. Diffusion between two facets is shown to induce complex multistability in the steady states of the system. The bifurcation diagram exhibits two regions with bistabilities due to the difference between adsorption properties of the facets. We explore the role of enhanced fluctuations in the proximity of a cusp bifurcation point associated with one facet in producing transitions between stable states on that facet, as well as their influence on fluctuations on the other facet. The results are expected to shed more light on the reaction kinetics for supported catalysts.Comment: 22 pages, RevTeX, to appear in Phys. Rev. E, 6 figures (eps format) are available at http://www.physik.tu-muenchen.de/~natali

Percolation on two- and three-dimensional lattices

In this work we apply a highly efficient Monte Carlo algorithm recently proposed by Newman and Ziff to treat percolation problems. The site and bond percolation are studied on a number of lattices in two and three dimensions. Quite good results for the wrapping probabilities, correlation length critical exponent and critical concentration are obtained for the square, simple cubic, HCP and hexagonal lattices by using relatively small systems. We also confirm the universal aspect of the wrapping probabilities regarding site and bond dilution.Comment: 15 pages, 6 figures, 3 table

Self-Organized Dynamical Equilibrium in the Corrosion of Random Solids

Self-organized criticality is characterized by power law correlations in the non-equilibrium steady state of externally driven systems. A dynamical system proposed here self-organizes itself to a critical state with no characteristic size at ``dynamical equilibrium''. The system is a random solid in contact with an aqueous solution and the dynamics is the chemical reaction of corrosion or dissolution of the solid in the solution. The initial difference in chemical potential at the solid-liquid interface provides the driving force. During time evolution, the system undergoes two transitions, roughening and anti-percolation. Finally, the system evolves to a dynamical equilibrium state characterized by constant chemical potential and average cluster size. The cluster size distribution exhibits power law at the final equilibrium state.Comment: 11 pages, 5 figure