Contribution of cellular automata to the understanding of corrosion phenomena

We present a stochastic CA modelling approach of corrosion based on spatially separated electrochemical half-reactions, diffusion, acido-basic neutralization in solution and passive properties of the oxide layers. Starting from different initial conditions, a single framework allows one to describe generalised corrosion, localised corrosion, reactive and passive surfaces, including occluded corrosion phenomena as well. Spontaneous spatial separation of anodic and cathodic zones is associated with bare metal and passivated metal on the surface. This separation is also related to local acidification of the solution. This spontaneous change is associated with a much faster corrosion rate. Material morphology is closely related to corrosion kinetics, which can be used for technological applications.Comment: 13 pages, 9 figure

Predictability: a way to characterize Complexity

Different aspects of the predictability problem in dynamical systems are reviewed. The deep relation among Lyapunov exponents, Kolmogorov-Sinai entropy, Shannon entropy and algorithmic complexity is discussed. In particular, we emphasize how a characterization of the unpredictability of a system gives a measure of its complexity. Adopting this point of view, we review some developments in the characterization of the predictability of systems showing different kind of complexity: from low-dimensional systems to high-dimensional ones with spatio-temporal chaos and to fully developed turbulence. A special attention is devoted to finite-time and finite-resolution effects on predictability, which can be accounted with suitable generalization of the standard indicators. The problems involved in systems with intrinsic randomness is discussed, with emphasis on the important problems of distinguishing chaos from noise and of modeling the system. The characterization of irregular behavior in systems with discrete phase space is also considered.Comment: 142 Latex pgs. 41 included eps figures, submitted to Physics Reports. Related information at this http://axtnt2.phys.uniroma1.i

Lattice Gas Automata for Reactive Systems

Reactive lattice gas automata provide a microscopic approachto the dynamics of spatially-distributed reacting systems. After introducing the subject within the wider framework of lattice gas automata (LGA) as a microscopic approach to the phenomenology of macroscopic systems, we describe the reactive LGA in terms of a simple physical picture to show how an automaton can be constructed to capture the essentials of a reactive molecular dynamics scheme. The statistical mechanical theory of the automaton is then developed for diffusive transport and for reactive processes, and a general algorithm is presented for reactive LGA. The method is illustrated by considering applications to bistable and excitable media, oscillatory behavior in reactive systems, chemical chaos and pattern formation triggered by Turing bifurcations. The reactive lattice gas scheme is contrasted with related cellular automaton methods and the paper concludes with a discussion of future perspectives.Comment: to appear in PHYSICS REPORTS, 81 revtex pages; uuencoded gziped postscript file; figures available from [email protected] or [email protected]

Nonlinear Stochastic Differential Equations and Self-Organized Criticality

Several nonlinear stochastic differential equations have been proposed in connection with self-organized critical phenomena. Due to the threshold condition involved in its dynamic evolution an infinite number of nonlinearities arises in a hydrodynamic description. We study two models with different noise correlations which make all the nonlinear contribution to be equally relevant below the upper critical dimension. The asymptotic values of the critical exponents are estimated from a systematic expansion in the number of coupling constants by means of the dynamic renormalization group.Comment: RevTeX 3.0, no figure

Equation-Free Multiscale Computational Analysis of Individual-Based Epidemic Dynamics on Networks

The surveillance, analysis and ultimately the efficient long-term prediction and control of epidemic dynamics appear to be one of the major challenges nowadays. Detailed atomistic mathematical models play an important role towards this aim. In this work it is shown how one can exploit the Equation Free approach and optimization methods such as Simulated Annealing to bridge detailed individual-based epidemic simulation with coarse-grained, systems-level, analysis. The methodology provides a systematic approach for analyzing the parametric behavior of complex/ multi-scale epidemic simulators much more efficiently than simply simulating forward in time. It is shown how steady state and (if required) time-dependent computations, stability computations, as well as continuation and numerical bifurcation analysis can be performed in a straightforward manner. The approach is illustrated through a simple individual-based epidemic model deploying on a random regular connected graph. Using the individual-based microscopic simulator as a black box coarse-grained timestepper and with the aid of Simulated Annealing I compute the coarse-grained equilibrium bifurcation diagram and analyze the stability of the stationary states sidestepping the necessity of obtaining explicit closures at the macroscopic level under a pairwise representation perspective

Steering in computational science: mesoscale modelling and simulation

This paper outlines the benefits of computational steering for high performance computing applications. Lattice-Boltzmann mesoscale fluid simulations of binary and ternary amphiphilic fluids in two and three dimensions are used to illustrate the substantial improvements which computational steering offers in terms of resource efficiency and time to discover new physics. We discuss details of our current steering implementations and describe their future outlook with the advent of computational grids.Comment: 40 pages, 11 figures. Accepted for publication in Contemporary Physic