Reactive dynamics on fractal sets: anomalous fluctuations and memory effects

We study the effect of fractal initial conditions in closed reactive systems in the cases of both mobile and immobile reactants. For the reaction $A+A\to A$, in the absence of diffusion, the mean number of particles $A$ is shown to decay exponentially to a steady state which depends on the details of the initial conditions. The nature of this dependence is demonstrated both analytically and numerically. In contrast, when diffusion is incorporated, it is shown that the mean number of particles $$ decays asymptotically as $t^{-d_f/2}$, the memory of the initial conditions being now carried by the dynamical power law exponent. The latter is fully determined by the fractal dimension $d_f$ of the initial conditions.Comment: 7 pages, 2 figures, uses epl.cl

Probabilistic and thermodynamic aspects of dynamical systems

The probabilistic approach to dynamical systems giving rise to irreversible behavior at the macroscopic, mesoscopic, and microscopic levels of description is outlined. Signatures of the complexity of the underlying dynamics on the spectral properties of the Liouville, Frobenius-Perron, and Fokker-Planck operators are identified. Entropy and entropy production-like quantities are introduced and the connection between their properties in nonequilibrium steady states and the characteristics of the dynamics in phase space are explored.info:eu-repo/semantics/publishe

Lifting of Ir{100} reconstruction by CO adsorption: An ab initio study

The adsorption of CO on unreconstructed and reconstructed Ir{100} has been studied, using a combination of density functional theory and thermodynamics, to determine the relative stability of the two phases as a function of CO coverage, temperature and pressure. We obtain good agreement with experimentaldata. At zero temperature, the (1X5) reconstruction becomes less stable than the unreconstructed (1X1) surface when the CO coverage exceeds a critical value of 0.09 ML. The interaction between CO molecules is found to be repulsive on the reconstructed surface, but attractive on the unreconstructed, explaining the experimental observation of high CO coverage on growing (1X1) islands. At all temperatures and pressures, we find only two possible stable states: 0.05 ML CO c(2X2) overlayer on the (1X1) substrate, and the clean (1$\times$5) reconstructed surface.Comment: 31 page

Comparison of Entropy Production Rates in Two Different Types of Self-organized Flows: B\'{e}nard Convection and Zonal flow

Entropy production rate (EPR) is often effective to describe how a structure is self-organized in a nonequilibrium thermodynamic system. The "minimum EPR principle" is widely applicable to characterizing self-organized structures, but is sometimes disproved by observations of "maximum EPR states." Here we delineate a dual relation between the minimum and maximum principles; the mathematical representation of the duality is given by a Legendre transformation. For explicit formulation, we consider heat transport in the boundary layer of fusion plasma [Phys. Plasmas {\bf 15}, 032307 (2008)]. The mechanism of bifurcation and hysteresis (which are the determining characteristics of the so-called H-mode, a self-organized state of reduced thermal conduction) is explained by multiple tangent lines to a pleated graph of an appropriate thermodynamic potential. In the nonlinear regime, we have to generalize Onsager's dissipation function. The generalized function is no longer equivalent to EPR; then EPR ceases to be the determinant of the operating point, and may take either minimum or maximum values depending on how the system is driven

Stochastic thermodynamics of chemical reaction networks

For chemical reaction networks described by a master equation, we define energy and entropy on a stochastic trajectory and develop a consistent nonequilibrium thermodynamic description along a single stochastic trajectory of reaction events. A first-law like energy balance relates internal energy, applied (chemical) work and dissipated heat for every single reaction. Entropy production along a single trajectory involves a sum over changes in the entropy of the network itself and the entropy of the medium. The latter is given by the exchanged heat identified through the first law. Total entropy production is constrained by an integral fluctuation theorem for networks arbitrarily driven by time-dependent rates and a detailed fluctuation theorem for networks in the steady state. Further exact relations like a generalized Jarzynski relation and a generalized Clausius inequality are discussed. We illustrate these results for a three-species cyclic reaction network which exhibits nonequilibrium steady states as well as transitions between different steady states.Comment: 14 pages, 2 figures, accepted for publication in J. Chem. Phy

Nonequilibrium stochastic processes: Time dependence of entropy flux and entropy production

Based on the Fokker-Planck and the entropy balance equations we have studied the relaxation of a dissipative dynamical system driven by external Ornstein-Uhlenbeck noise processes in absence and presence of nonequilibrium constraint in terms of the thermodynamically inspired quantities like entropy flux and entropy production. The interplay of nonequilibrium constraint, dissipation and noise reveals some interesting extremal nature in the time dependence of entropy flux and entropy production.Comment: RevTex, 17 pages, 9 figures. To appear in Phys. Rev.

Ratio control in a cascade model of cell differentiation

We propose a kind of reaction-diffusion equations for cell differentiation, which exhibits the Turing instability. If the diffusivity of some variables is set to be infinity, we get coupled competitive reaction-diffusion equations with a global feedback term. The size ratio of each cell type is controlled by a system parameter in the model. Finally, we extend the model to a cascade model of cell differentiation. A hierarchical spatial structure appears as a result of the cell differentiation. The size ratio of each cell type is also controlled by the system parameter.Comment: 13 pages, 7 figure

Fluctuation theorem for currents and Schnakenberg network theory

A fluctuation theorem is proved for the macroscopic currents of a system in a nonequilibrium steady state, by using Schnakenberg network theory. The theorem can be applied, in particular, in reaction systems where the affinities or thermodynamic forces are defined globally in terms of the cycles of the graph associated with the stochastic process describing the time evolution.Comment: new version : 16 pages, 1 figure, to be published in Journal of Statistical Physic

Self-organized patterns of coexistence out of a predator-prey cellular automaton

We present a stochastic approach to modeling the dynamics of coexistence of prey and predator populations. It is assumed that the space of coexistence is explicitly subdivided in a grid of cells. Each cell can be occupied by only one individual of each species or can be empty. The system evolves in time according to a probabilistic cellular automaton composed by a set of local rules which describe interactions between species individuals and mimic the process of birth, death and predation. By performing computational simulations, we found that, depending on the values of the parameters of the model, the following states can be reached: a prey absorbing state and active states of two types. In one of them both species coexist in a stationary regime with population densities constant in time. The other kind of active state is characterized by local coupled time oscillations of prey and predator populations. We focus on the self-organized structures arising from spatio-temporal dynamics of the coexistence. We identify distinct spatial patterns of prey and predators and verify that they are intimally connected to the time coexistence behavior of the species. The occurrence of a prey percolating cluster on the spatial patterns of the active states is also examined.Comment: 19 pages, 11 figure

Reentrance effect in the lane formation of driven colloids

Recently it has been shown that a strongly interacting colloidal mixture consisting of oppositely driven particles, undergoes a nonequilibrium transition towards lane formation provided the driving strength exceeds a threshold value. We predict here a reentrance effect in lane formation: for fixed high driving force and increasing particle densities, there is first a transition towards lane formation which is followed by another transition back to a state with no lanes. Our result is obtained both by Brownian dynamics computer simulations and by a phenomenological dynamical density functional theory.Comment: 4 pages, 2 figure