Classical and Quantum Transport Through Entropic Barriers Modelled by Hardwall Hyperboloidal Constrictions

We study the quantum transport through entropic barriers induced by hardwall constrictions of hyperboloidal shape in two and three spatial dimensions. Using the separability of the Schrodinger equation and the classical equations of motion for these geometries we study in detail the quantum transmission probabilities and the associated quantum resonances, and relate them to the classical phase structures which govern the transport through the constrictions. These classical phase structures are compared to the analogous structures which, as has been shown only recently, govern reaction type dynamics in smooth systems. Although the systems studied in this paper are special due their separability they can be taken as a guide to study entropic barriers resulting from constriction geometries that lead to non-separable dynamics.Comment: 59 pages, 22 EPS figures

Stability of Simple Periodic Orbits and Chaos in a Fermi -- Pasta -- Ulam Lattice

We investigate the connection between local and global dynamics in the Fermi -- Pasta -- Ulam (FPU) $\beta$ -- model from the point of view of stability of its simplest periodic orbits (SPOs). In particular, we show that there is a relatively high $q$ mode $(q=2(N+1)/{3})$ of the linear lattice, having one particle fixed every two oppositely moving ones (called SPO2 here), which can be exactly continued to the nonlinear case for $N=5+3m, m=0,1,2,...$ and whose first destabilization, $E_{2u}$, as the energy (or $\beta$) increases for {\it any} fixed $N$, practically {\it coincides} with the onset of a ``weak'' form of chaos preceding the break down of FPU recurrences, as predicted recently in a similar study of the continuation of a very low ($q=3$) mode of the corresponding linear chain. This energy threshold per particle behaves like $\frac{E_{2u}}{N}\propto N^{-2}$. We also follow exactly the properties of another SPO (with $q=(N+1)/{2}$) in which fixed and moving particles are interchanged (called SPO1 here) and which destabilizes at higher energies than SPO2, since $\frac{E_{1u}}{N}\propto N^{-1}$. We find that, immediately after their first destabilization, these SPOs have different (positive) Lyapunov spectra in their vicinity. However, as the energy increases further (at fixed $N$), these spectra converge to {\it the same} exponentially decreasing function, thus providing strong evidence that the chaotic regions around SPO1 and SPO2 have ``merged'' and large scale chaos has spread throughout the lattice.Comment: Physical Review E, 18 pages, 6 figure

Lagrangian transport through an ocean front in the North-Western Mediterranean Sea

We analyze with the tools of lobe dynamics the velocity field from a numerical simulation of the surface circulation in the Northwestern Mediterranean Sea. We identify relevant hyperbolic trajectories and their manifolds, and show that the transport mechanism known as the `turnstile', previously identified in abstract dynamical systems and simplified model flows, is also at work in this complex and rather realistic ocean flow. In addition nonlinear dynamics techniques are shown to be powerful enough to identify the key geometric structures in this part of the Mediterranean. In particular the North Balearic Front, the westernmost part of the transition zone between saltier and fresher waters in the Western Mediterranean is interpreted in terms of the presence of a semipermanent ``Lagrangian barrier'' across which little transport occurs. Our construction also reveals the routes along which this transport happens. Topological changes in that picture, associated with the crossing by eddies and that may be interpreted as the breakdown of the front, are also observed during the simulation.Comment: 34 pages, 6 (multiple) figures. Version with higher quality figures available from http://www.imedea.uib.es/physdept/publications/showpaper_en.php?indice=1764 . Problems with paper size fixe

Heteroclinic intersections between Invariant Circles of Volume-Preserving Maps

We develop a Melnikov method for volume-preserving maps with codimension one invariant manifolds. The Melnikov function is shown to be related to the flux of the perturbation through the unperturbed invariant surface. As an example, we compute the Melnikov function for a perturbation of a three-dimensional map that has a heteroclinic connection between a pair of invariant circles. The intersection curves of the manifolds are shown to undergo bifurcations in homologyComment: LaTex with 10 eps figure

Geometrical Models of the Phase Space Structures Governing Reaction Dynamics

Hamiltonian dynamical systems possessing equilibria of ${saddle} \times {centre} \times...\times {centre}$ stability type display \emph{reaction-type dynamics} for energies close to the energy of such equilibria; entrance and exit from certain regions of the phase space is only possible via narrow \emph{bottlenecks} created by the influence of the equilibrium points. In this paper we provide a thorough pedagogical description of the phase space structures that are responsible for controlling transport in these problems. Of central importance is the existence of a \emph{Normally Hyperbolic Invariant Manifold (NHIM)}, whose \emph{stable and unstable manifolds} have sufficient dimensionality to act as separatrices, partitioning energy surfaces into regions of qualitatively distinct behavior. This NHIM forms the natural (dynamical) equator of a (spherical) \emph{dividing surface} which locally divides an energy surface into two components (`reactants' and `products'), one on either side of the bottleneck. This dividing surface has all the desired properties sought for in \emph{transition state theory} where reaction rates are computed from the flux through a dividing surface. In fact, the dividing surface that we construct is crossed exactly once by reactive trajectories, and not crossed by nonreactive trajectories, and related to these properties, minimizes the flux upon variation of the dividing surface. We discuss three presentations of the energy surface and the phase space structures contained in it for 2-degree-of-freedom (DoF) systems in the threedimensional space $\R^3$, and two schematic models which capture many of the essential features of the dynamics for $n$-DoF systems. In addition, we elucidate the structure of the NHIM.Comment: 44 pages, 38 figures, PDFLaTe

Quantum Theory of Reactive Scattering in Phase Space

We review recent results on quantum reactive scattering from a phase space perspective. The approach uses classical and quantum versions of normal form theory and the perspective of dynamical systems theory. Over the past ten years the classical normal form theory has provided a method for realizing the phase space structures that are responsible for determining reactions in high dimensional Hamiltonian systems. This has led to the understanding that a new (to reaction dynamics) type of phase space structure, a {\em normally hyperbolic invariant manifold} (or, NHIM) is the "anchor" on which the phase space structures governing reaction dynamics are built. The quantum normal form theory provides a method for quantizing these phase space structures through the use of the Weyl quantization procedure. We show that this approach provides a solution of the time-independent Schr\"odinger equation leading to a (local) S-matrix in a neighborhood of the saddle point governing the reaction. It follows easily that the quantization of the directional flux through the dividing surface with the properties noted above is a flux operator that can be expressed in a "closed form". Moreover, from the local S-matrix we easily obtain an expression for the cumulative reactio probability (CRP). Significantly, the expression for the CRP can be evaluated without the need to compute classical trajectories. The quantization of the NHIM is shown to lead to the activated complex, and the lifetimes of quantum states initialized on the NHIM correspond to the Gamov-Siegert resonances. We apply these results to the collinear nitrogen exchange reaction and a three degree-of-freedom system corresponding to an Eckart barrier coupled to two Morse oscillators.Comment: 59 pages, 13 figure

Self-pulsing effect in chaotic scattering

We study the quantum and classical scattering of Hamiltonian systems whose chaotic saddle is described by binary or ternary horseshoes. We are interested in parameters of the system for which a stable island, associated with the inner fundamental periodic orbit of the system exists and is large, but chaos around this island is well developed. In this situation, in classical systems, decay from the interaction region is algebraic, while in quantum systems it is exponential due to tunneling. In both cases, the most surprising effect is a periodic response to an incoming wave packet. The period of this self-pulsing effect or scattering echoes coincides with the mean period, by which the scattering trajectories rotate around the stable orbit. This period of rotation is directly related to the development stage of the underlying horseshoe. Therefore the predicted echoes will provide experimental access to topological information. We numerically test these results in kicked one dimensional models and in open billiards.Comment: Submitted to New Journal of Physics. Two movies (not included) and full-resolution figures are available at http://www.cicc.unam.mx/~mejia

Computational Method for Phase Space Transport with Applications to Lobe Dynamics and Rate of Escape

Lobe dynamics and escape from a potential well are general frameworks introduced to study phase space transport in chaotic dynamical systems. While the former approach studies how regions of phase space are transported by reducing the flow to a two-dimensional map, the latter approach studies the phase space structures that lead to critical events by crossing periodic orbit around saddles. Both of these frameworks require computation with curves represented by millions of points-computing intersection points between these curves and area bounded by the segments of these curves-for quantifying the transport and escape rate. We present a theory for computing these intersection points and the area bounded between the segments of these curves based on a classification of the intersection points using equivalence class. We also present an alternate theory for curves with nontransverse intersections and a method to increase the density of points on the curves for locating the intersection points accurately.The numerical implementation of the theory presented herein is available as an open source software called Lober. We used this package to demonstrate the application of the theory to lobe dynamics that arises in fluid mechanics, and rate of escape from a potential well that arises in ship dynamics.Comment: 33 pages, 17 figure