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arXiv:1103.2621 · International Journal of Bifurcation and Chaos

QUANTUM VORTICES AND TRAJECTORIES IN PARTICLE DIFFRACTION

N. Delis, Christos Efthymiopoulos, G. Contopoulos

Published Sep 1, 2012• 7 citations
arXivHTMLPDF

Abstract

We investigate the phenomenon of the diffraction of charged particles by thin material targets using the method of the de Broglie–Bohm quantum trajectories. The particle wave function can be modeled as a sum of two terms ψ = ψingoing+ ψoutgoing. A thin separator exists between the domains of prevalence of the ingoing and outgoing wavefunction terms. The structure of the quantum-mechanical currents in the neighborhood of the separator implies the formation of an array of quantum vortices. The flow structure around each vortex displays a characteristic pattern called "nodal point–X point complex". The X point gives rise to stable and unstable manifolds. We find the scaling laws characterizing a nodal point–X point complex by a local perturbation theory around the nodal point. We then analyze the dynamical role of vortices in the emergence of the diffraction pattern. In particular, we demonstrate the abrupt deflections, along the direction of the unstable manifold, of the quantum trajectories approaching an X-point along its stable manifold. Theoretical results are compared to numerical simulations of quantum trajectories. We finally calculate the times of flight of particles following quantum trajectories from the source to detectors placed at various scattering angles θ, and thereby propose an experimental test of the de Broglie–Bohm formalism.

DOI
10.1142/s0218127412502148

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We investigate the phenomenon of the diffraction of charged particles by thin material targets using the method of the de Broglie–Bohm quantum trajectories. The particle wave function can be modeled as a sum of two terms ψ = ψingoing+ ψoutgoing. A thin separator exists between the domains of prevalence of the ingoing and outgoing wavefunction terms. The structure of the quantum-mechanical currents in the neighborhood of the separator implies the formation of an array of quantum vortices. The flow structure around each vortex displays a characteristic pattern called "nodal point–X point complex". The X point gives rise to stable and unstable manifolds. We find the scaling laws characterizing a nodal point–X point complex by a local perturbation theory around the nodal point. We then analyze the dynamical role of vortices in the emergence of the diffraction pattern. In particular, we demonstrate the abrupt deflections, along the direction of the unstable manifold, of the quantum trajectories approaching an X-point along its stable manifold. Theoretical results are compared to numerical simulations of quantum trajectories. We finally calculate the times of flight of particles following quantum trajectories from the source to detectors placed at various scattering angles θ, and thereby propose an experimental test of the de Broglie–Bohm formalism.
Vortices are known to play a key role in many important processes in physics and chemistry. Here, we study vortices in connection with the quantum trajectories that can be defined in the framework provided by the de Broglie–Bohm formalism of quantum mechanics. In a previous work, it was shown that the presence of a single moving vortex is enough to induce chaos in these trajectories. Here, this situation is explored in more detail by discussing the relationship between Lyapunov exponents and the parameters characterizing the vortex dynamics. We also consider the issue when more than one vortex exists. In this case, the interaction among them can annihilate or create pairs of vortices with opposite vorticity. This phenomenon is analyzed from a dynamical point of view, showing how the size of the regular regions in phase space grows, as vortices disappear.
The general theory of motion in the vicinity of a moving quantum nodal point (vortex) is studied in the framework of the de Broglie-Bohm trajectory method of quantum mechanics. Using an adiabatic approximation, we find that near any nodal point of an arbitrary wave function psi there is an unstable point (called the X point) in a frame of reference moving with the nodal point. The local phase portrait forms always a characteristic pattern called the "nodal-point- X -point complex." We find general formulas for this complex as well as necessary and sufficient conditions of validity of the adiabatic approximation. We demonstrate that chaos emerges from the consecutive scattering events of the orbits with nodal-point- X -point complexes. The scattering events are of two types (called type I and type II). A theoretical model is constructed yielding the local value of the Lyapunov characteristic numbers in scattering events of both types. The local Lyapunov characteristic number scales as an inverse power of the speed of the nodal point in the rest frame, implying that it scales proportionally to the size of the nodal-point- X -point complex. It is also an inverse power of the distance of a trajectory from the X point's stable manifold far from the complex. This distance plays the role of an effective "impact parameter." The results of detailed numerical experiments with different wave functions, possessing one, two, or three moving nodal points, are reported. Examples are given of regular and chaotic trajectories, and the statistics of the Lyapunov characteristic numbers of the orbits are found and compared to the number of encounter events of each orbit with the nodal-point- X -point complexes. The numerical results are in agreement with the theory, and various phenomena appearing at first as counterintuitive find a straightforward explanation.
We provide a general theory for the structure of the quantum flow near three-dimensional (3D) nodal lines, i.e., one-dimensional loci where the 3D wave function becomes equal to zero. In suitably defined coordinates (comoving with the nodal line) the generic structure of the flow implies the formation of 3D quantum vortices. We show that such vortices are accompanied by nearby invariant lines of the comoving quantum flow, called X lines, which are normally hyperbolic. Furthermore, the stable and unstable manifolds of the X lines produce chaotic scatterings of nearby quantum (Bohmian) trajectories, thus inducing an intricate form of the quantum current in the neighborhood of each 3D quantum vortex. Generic formulas describing the structure around 3D quantum vortices are provided, applicable to an arbitrary choice of 3D wave function. We also give specific numerical examples as well as a discussion of the physical consequences of chaos near 3D quantum vortices.
A usual assumption in the so-called {\it de Broglie - Bohm} approach to quantum dynamics is that the quantum trajectories subject to typical `guiding' wavefunctions turn to be quite irregular, i.e. {\it chaotic} (in the dynamical systems' sense). In the present paper, we consider mainly cases in which the quantum trajectories are {\it ordered}, i.e. they have zero Lyapunov characteristic numbers. We use perturbative methods to establish the existence of such trajectories from a theoretical point of view, while we analyze their properties via numerical experiments. Using a 2D harmonic oscillator system, we first establish conditions under which a trajectory can be shown to avoid close encounters with a moving nodal point, thus avoiding the source of chaos in this system. We then consider series expansions for trajectories both in the interior and the exterior of the domain covered by nodal lines, probing the domain of convergence as well as how successful the series are in comparison with numerical computations or regular trajectories. We then examine a H\'{e}non - Heiles system possessing regular trajectories, thus generalizing previous results. Finally, we explore a key issue of physical interest in the context of the de Broglie - Bohm formalism, namely the influence of order in the so-called {\it quantum relaxation} effect. We show that the existence of regular trajectories poses restrictions to the quantum relaxation process, and we give examples in which the relaxation is suppressed even when we consider initial ensembles of only chaotic trajectories, provided, however, that the system as a whole is characterized by a certain degree of order.
A usual assumption in the so-called de Broglie–Bohm approach to quantum dynamics is that the quantum trajectories subject to typical 'guiding' wavefunctions turn to be quite irregular, i.e. chaotic (in the dynamical systems' sense). In this paper, we consider mainly cases in which the quantum trajectories are ordered , i.e. they have zero Lyapunov characteristic numbers. We use perturbative methods to establish the existence of such trajectories from a theoretical point of view, while we analyze their properties via numerical experiments. Using a 2D harmonic oscillator system, we first establish conditions under which a trajectory can be shown to avoid close encounters with a moving nodal point, thus avoiding the source of chaos in this system. We then consider series expansions for trajectories both in the interior and the exterior of the domain covered by nodal lines, probing the domain of convergence as well as how successful the series are in comparison with numerical computations or regular trajectories. We then examine a Hénon–Heiles system possessing regular trajectories, thus generalizing previous results. Finally, we explore a key issue of physical interest in the context of the de Broglie–Bohm formalism, namely the influence of order on the so-called quantum relaxation effect. We show that the existence of regular trajectories poses restrictions on the quantum relaxation process and give examples in which the relaxation is suppressed even when we consider initial ensembles of only chaotic trajectories, provided, however, that the system as a whole is characterized by a certain degree of order.
The method of quantum trajectories proposed by de Broglie and Bohm is applied to the study of atom diffraction by surfaces. As an example, a realistic model for the scattering of He off corrugated Cu is considered. In this way, the final angular distribution of trajectories is obtained by box counting, which is in excellent agreement with the results calculated by standard SSS matrix methods of scattering theory. More interestingly, the accumulation of quantum trajectories at the different diffraction peaks is explained in terms of the corresponding quantum potential. This nonlocal potential ``guides'' the trajectories causing a transition from a distribution near the surface, which reproduces its shape, to the final diffraction pattern observed in the asymptotic region, far from the diffracting object. These two regimes are homologous to the Fresnel and Fraunhofer regions described in undulatory optics. Finally, the turning points of the quantum trajectories provide a better description of the surface electronic density than the corresponding classical ones, usually employed for this task.