David P. Sanders

Occurrence of normal and anomalous diffusion in polygonal billiard channels

From extensive numerical simulations, we find that periodic polygonal billiard channels with angles which are irrational multiples of pi generically exhibit normal diffusion (linear growth of the mean squared displacement) when they have a finite horizon, i.e., when no particle can travel arbitrarily far without colliding. For the infinite horizon case we present numerical tests showing that the mean squared displacement instead grows asymptotically as t ln t. When the unit cell contains accessible parallel scatterers, however, we always find anomalous super-diffusion, i.e., power-law growth with an exponent larger than . This behavior cannot be accounted for quantitatively by a simple continuous-time random walk model. Instead, we argue that anomalous diffusion correlates with the existence of families of propagating periodic orbits. Finally we show that when a configuration with parallel scatterers is approached there is a crossover from normal to anomalous diffusion, with the diffusion coefficient exhibiting a power-law divergence.

Encounter times in overlapping domains: application to epidemic spread in a population of territorial animals.

We develop an analytical method to calculate encounter times of two random walkers in one dimension when each individual is segregated in its own spatial domain and shares with its neighbor only a fraction of the available space, finding very good agreement with numerically exact calculations. We model a population of susceptible and infected territorial individuals with this spatial arrangement, and which may transmit an epidemic when they meet. We apply the results on encounter times to determine analytically the macroscopic propagation speed of the epidemic as a function of the microscopic characteristics: the confining geometry, the animal diffusion constant, and the infection transmission probability.

Bifurcations of periodic and chaotic attractors in pinball billiards with focusing boundaries

We study the dynamics of billiard models with a modified collision rule: the outgoing angle from a collision is a uniform contraction, by a factor λ, of the incident angle. These pinball billiards interpolate between a one-dimensional map when λ = 0 and the classical Hamiltonian case of elastic collisions when λ = 1. For all λ < 1, the dynamics is dissipative, and thus gives rise to attractors, which may be periodic or chaotic. Motivated by recent rigorous results of Markarian et al (http://premat.fing.edu.uy/papers/2008/110.pdf and http://www.preprint.impa.br/Shadows/SERIE_A/2008/614.html), we numerically investigate and characterize the bifurcations of the resulting attractors as the contraction parameter is varied. Some billiards exhibit only periodic attractors, some only chaotic attractors and others have coexistence of the two types.

Structure and evolution of strange attractors in non-elastic triangular billiards.

We study non-elastic billiard dynamics in an equilateral triangular table. In such dynamics, collisions with the walls of the table are not elastic, as in standard billiards; rather, the outgoing angle of the trajectory with the normal vector to the boundary at the point of collision is a uniform factor λ < 1 smaller than the incoming angle. This leads to contraction in phase space for the discrete-time dynamics between consecutive collisions, and hence to attractors of zero Lebesgue measure, which are almost always fractal strange attractors with chaotic dynamics, due to the presence of an expansion mechanism. We study the structure of these strange attractors and their evolution as the contraction parameter λ is varied. For λ∈(0,1/3), we prove rigorously that the attractor has the structure of a Cantor set times an interval, whereas for larger values of λ gaps arise in the Cantor structure. For λ close to 1, the attractor splits into three transitive components, whose basins of attraction have fractal boundaries.

Competitive nucleation and the Ostwald rule in a generalized Potts model with multiple metastable phases

We introduce a simple nearest-neighbor spin model with multiple metastable phases, the number and decay pathways of which are explicitly controlled by the parameters of the system. With this model, we can construct, for example, a system which evolves through an arbitrarily long succession of metastable phases. We also construct systems in which different phases may nucleate competitively from a single initial phase. For such a system, we present a general method to extract from numerical simulations the individual nucleation rates of the nucleating phases. The results show that the Ostwald rule, which predicts which phase will nucleate, must be modified probabilistically when the new phases are almost equally stable. Finally, we show that the nucleation rate of a phase depends, among other things, on the number of other phases accessible from it.

Diffusive properties of persistent walks on cubic lattices with application to periodic Lorentz gases

We calculate the diffusion coefficients of persistent random walks on cubic and hypercubic lattices, where the direction of a walker at a given step depends on the memory of one or two previous steps. These results are then applied to study a billiard model, namely a three-dimensional periodic Lorentz gas. The geometry of the model is studied in order to find the regimes in which it exhibits normal diffusion. In this regime, we calculate numerically the transition probabilities between cells to compare the persistent random-walk approximation with simulation results for the diffusion coefficient.

Measuring logarithmic corrections to normal diffusion in infinite-horizon billiards.

We perform numerical measurements of the moments of the position of a tracer particle in a two-dimensional periodic billiard model (Lorentz gas) with infinite corridors. This model is known to exhibit a weak form of superdiffusion, in the sense that there is a logarithmic correction to the linear growth in time of the mean-squared displacement. We show numerically that this expected asymptotic behavior is easily overwhelmed by the subleading linear growth throughout the time range accessible to numerical simulations. We compare our simulations to analytical results for the variance of the anomalously rescaled limiting normal distributions.

Exact encounter times for many random walkers on regular and complex networks

The exact mean time between encounters of a given particle in a system consisting of many particles undergoing random walks in discrete time is calculated, on both regular and complex networks. Analytical results are obtained both for independent walkers, where any number of walkers can occupy the same site, and for walkers with an exclusion interaction, when no site can contain more than one walker. These analytical results are then compared with numerical simulations, showing very good agreement.

Geometric integrator for simulations in the canonical ensemble

We introduce a geometric integrator for molecular dynamics simulations of physical systems in the canonical ensemble that preserves the invariant distribution in equations arising from the density dynamics algorithm, with any possible type of thermostat. Our integrator thus constitutes a unified framework that allows the study and comparison of different thermostats and of their influence on the equilibrium and non-equilibrium (thermo-)dynamic properties of a system. To show the validity and the generality of the integrator, we implement it with a second-order, time-reversible method and apply it to the simulation of a Lennard-Jones system with three different thermostats, obtaining good conservation of the geometrical properties and recovering the expected thermodynamic results. Moreover, to show the advantage of our geometric integrator over a non-geometric one, we compare the results with those obtained by using the non-geometric Gear integrator, which is frequently used to perform simulations in the canonical ensemble. The non-geometric integrator induces a drift in the invariant quantity, while our integrator has no such drift, thus ensuring that the system is effectively sampling the correct ensemble.

Chaos and stability in a two-parameter family of convex billiard tables

We study, by numerical simulations and semi-rigorous arguments, a two-parameter family of convex, two-dimensional billiard tables, generalizing the one-parameter class of oval billiards of Benettin–Strelcyn (1978 Phys. Rev. A 17 773–85). We observe interesting dynamical phenomena when the billiard tables are continuously deformed from the integrable circular billiard to different versions of completely chaotic stadia. In particular, we conjecture that a new class of ergodic billiard tables is obtained in certain regions of the two-dimensional parameter space, when the billiards are close to skewed stadia. We provide heuristic arguments supporting this conjecture, and give numerical confirmation using the powerful method of Lyapunov-weighted dynamics.