Classical dynamics on graphs

We consider the classical evolution of a particle on a graph by using a time-continuous Frobenius-Perron operator which generalizes previous propositions. In this way, the relaxation rates as well as the chaotic properties can be defined for the time-continuous classical dynamics on graphs. These properties are given as the zeros of some periodic-orbit zeta functions. We consider in detail the case of infinite periodic graphs where the particle undergoes a diffusion process. The infinite spatial extension is taken into account by Fourier transforms which decompose the observables and probability densities into sectors corresponding to different values of the wave number. The hydrodynamic modes of diffusion are studied by an eigenvalue problem of a Frobenius-Perron operator corresponding to a given sector. The diffusion coefficient is obtained from the hydrodynamic modes of diffusion and has the Green-Kubo form. Moreover, we study finite but large open graphs which converge to the infinite periodic graph when their size goes to infinity. The lifetime of the particle on the open graph is shown to correspond to the lifetime of a system which undergoes a diffusion process before it escapes.Comment: 42 pages and 8 figure

A two-stage approach to relaxation in billiard systems of locally confined hard spheres

We consider the three-dimensional dynamics of systems of many interacting hard spheres, each individually confined to a dispersive environment, and show that the macroscopic limit of such systems is characterized by a coefficient of heat conduction whose value reduces to a dimensional formula in the limit of vanishingly small rate of interaction. It is argued that this limit arises from an effective loss of memory. Similarities with the diffusion of a tagged particle in binary mixtures are emphasized.Comment: Submitted to Chaos, special issue "Statistical Mechanics and Billiard-Type Dynamical Systems

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

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

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

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

Exactly solvable model of quantum diffusion

We study the transport property of diffusion in a finite translationally invariant quantum subsystem described by a tight-binding Hamiltonian with a single energy band and interacting with its environment by a coupling in terms of correlation functions which are delta-correlated in space and time. For weak coupling, the time evolution of the subsystem density matrix is ruled by a quantum master equation of Lindblad type. Thanks to the invariance under spatial translations, we can apply the Bloch theorem to the subsystem density matrix and exactly diagonalize the time evolution superoperator to obtain the complete spectrum of its eigenvalues, which fully describe the relaxation to equilibrium. Above a critical coupling which is inversely proportional to the size of the subsystem, the spectrum at given wavenumber contains an isolated eigenvalue describing diffusion. The other eigenvalues rule the decay of the populations and quantum coherences with decay rates which are proportional to the intensity of the environmental noise. On the other hand, an analytical expression is obtained for the dispersion relation of diffusion. The diffusion coefficient is proportional to the square of the width of the energy band and inversely proportional to the intensity of the environmental noise because diffusion results from the perturbation of quantum tunneling by the environmental fluctuations in this model. Diffusion disappears below the critical coupling.Comment: Submitted to J. Stat. Phy

Rotational dynamics and friction in double-walled carbon nanotubes

We report a study of the rotational dynamics in double-walled nanotubes using molecular dynamics simulations and a simple analytical model reproducing very well the observations. We show that the dynamic friction is linear in the angular velocity for a wide range of values. The molecular dynamics simulations show that for large enough systems the relaxation time takes a constant value depending only on the interlayer spacing and temperature. Moreover, the friction force increases linearly with contact area, and the relaxation time decreases with the temperature with a power law of exponent $-1.53 \pm 0.04$.Comment: 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