Chaotic Scattering Theory of Transport and Reaction-Rate Coefficients

The chaotic scattering theory is here extended to obtain escape-rate expressions for the transport coefficients appropriate for a simple classical fluid, or for a chemically reacting system. This theory allows various transport coefficients such as the coefficients of viscosity, thermal conductivity, etc., to be expressed in terms of the positive Lyapunov exponents and Kolmogorov-Sinai entropy of a set of phase space trajectories that take place on an appropriate fractal repeller. This work generalizes the previous results of Gaspard and Nicolis for the coefficient of diffusion of a particle moving in a fixed array of scatterers.Comment: 27 pages LaTeX, no figure

Transport Properties of the Lorentz Gas in Terms of Periodic Orbits

We establish a formula relating global diffusion in a space periodic dynamical system to cycles in the elementary cell which tiles the space under translations.Comment: 8 pages, Postscript, A

Fractal Dimensions of the Hydrodynamic Modes of Diffusion

We consider the time-dependent statistical distributions of diffusive processes in relaxation to a stationary state for simple, two dimensional chaotic models based upon random walks on a line. We show that the cumulative functions of the hydrodynamic modes of diffusion form fractal curves in the complex plane, with a Hausdorff dimension larger than one. In the limit of vanishing wavenumber, we derive a simple expression of the diffusion coefficient in terms of this Hausdorff dimension and the positive Lyapunov exponent of the chaotic model.Comment: 20 pages, 6 figures, submitted to Nonlinearit

Viscosity in the escape-rate formalism

We apply the escape-rate formalism to compute the shear viscosity in terms of the chaotic properties of the underlying microscopic dynamics. A first passage problem is set up for the escape of the Helfand moment associated with viscosity out of an interval delimited by absorbing boundaries. At the microscopic level of description, the absorbing boundaries generate a fractal repeller. The fractal dimensions of this repeller are directly related to the shear viscosity and the Lyapunov exponent, which allows us to compute its values. We apply this method to the Bunimovich-Spohn minimal model of viscosity which is composed of two hard disks in elastic collision on a torus. These values are in excellent agreement with the values obtained by other methods such as the Green-Kubo and Einstein-Helfand formulas.Comment: 16 pages, 16 figures (accepted in Phys. Rev. E; October 2003

Transport and Helfand moments in the Lennard-Jones fluid. II. Thermal Conductivity

The thermal conductivity is calculated with the Helfand-moment method in the Lennard-Jones fluid near the triple point. The Helfand moment of thermal conductivity is here derived for molecular dynamics with periodic boundary conditions. Thermal conductivity is given by a generalized Einstein relation with this Helfand moment. We compute thermal conductivity by this new method and compare it with our own values obtained by the standard Green-Kubo method. The agreement is excellent.Comment: Submitted to the Journal of Chemical Physic

Quantum fingerprints of classical Ruelle-Pollicot resonances

N-disk microwave billiards, which are representative of open quantum systems, are studied experimentally. The transmission spectrum yields the quantum resonances which are consistent with semiclassical calculations. The spectral autocorrelation of the quantum spectrum is shown to be determined by the classical Ruelle-Pollicot resonances, arising from the complex eigenvalues of the Perron-Frobenius operator. This work establishes a fundamental connection between quantum and classical correlations in open systems.Comment: 6 pages, 2 eps figures included, submitted to PR

Thermodynamic time asymmetry in nonequilibrium fluctuations

We here present the complete analysis of experiments on driven Brownian motion and electric noise in a $RC$ circuit, showing that thermodynamic entropy production can be related to the breaking of time-reversal symmetry in the statistical description of these nonequilibrium systems. The symmetry breaking can be expressed in terms of dynamical entropies per unit time, one for the forward process and the other for the time-reversed process. These entropies per unit time characterize dynamical randomness, i.e., temporal disorder, in time series of the nonequilibrium fluctuations. Their difference gives the well-known thermodynamic entropy production, which thus finds its origin in the time asymmetry of dynamical randomness, alias temporal disorder, in systems driven out of equilibrium.Comment: to be published in : Journal of Statistical Mechanics: theory and experimen

Kinetics and thermodynamics of first-order Markov chain copolymerization

We report a theoretical study of stochastic processes modeling the growth of first-order Markov copolymers, as well as the reversed reaction of depolymerization. These processes are ruled by kinetic equations describing both the attachment and detachment of monomers. Exact solutions are obtained for these kinetic equations in the steady regimes of multicomponent copolymerization and depolymerization. Thermodynamic equilibrium is identified as the state at which the growth velocity is vanishing on average and where detailed balance is satisfied. Away from equilibrium, the analytical expression of the thermodynamic entropy production is deduced in terms of the Shannon disorder per monomer in the copolymer sequence. The Mayo-Lewis equation is recovered in the fully irreversible growth regime. The theory also applies to Bernoullian chains in the case where the attachment and detachment rates only depend on the reacting monomer

Chaos properties and localization in Lorentz lattice gases

The thermodynamic formalism of Ruelle, Sinai, and Bowen, in which chaotic properties of dynamical systems are expressed in terms of a free energy-type function - called the topological pressure - is applied to a Lorentz Lattice Gas, as typical for diffusive systems with static disorder. In the limit of large system sizes, the mechanism and effects of localization on large clusters of scatterers in the calculation of the topological pressure are elucidated and supported by strong numerical evidence. Moreover it clarifies and illustrates a previous theoretical analysis [Appert et al. J. Stat. Phys. 87, chao-dyn/9607019] of this localization phenomenon.Comment: 32 pages, 19 Postscript figures, submitted to PR

Methods of calculation of a friction coefficient: Application to the nanotubes

In this work we develop theoretical and numerical methods of calculation of a dynamic friction coefficient. The theoretical method is based on an adiabatic approximation which allows us to express the dynamic friction coefficient in terms of the time integral of the autocorrelation function of the force between both sliding objects. The motion of the objects and the autocorrelation function can be numerically calculated by molecular-dynamics simulations. We have successfully applied these methods to the evaluation of the dynamic friction coefficient of the relative motion of two concentric carbon nanotubes. The dynamic friction coefficient is shown to increase with the temperature.Comment: 4 pages, 6 figure