Homogenization induced by chaotic mixing and diffusion in an oscillatory chemical reaction

A model for an imperfectly mixed batch reactor with the chlorine dioxide-iodine-malonic acid (CDIMA) reaction, with the mixing being modelled by chaotic advection, is considered. The reactor is assumed to be operating in oscillatory mode and the way in which an initial spatial perturbation becomes homogenized is examined. When the kinetics are such that the only stable homogeneous state is oscillatory then the perturbation is always entrained into these oscillations. The rate at which this occurs is relatively insensitive to the chemical effects, measured by the Damkohler number, and is comparable to the rate of homogenization of a passive contaminant. When both steady and oscillatory states are stable, spatially homogeneous states, two possibilities can occur. For the smaller Damkohler numbers, a localized perturbation at the steady state is homogenized within the background oscillations. For larger Damkohler numbers, regions of both oscillatory and steady behavior can co-exist for relatively long times before the system collapses to having the steady state everywhere. An interpretation of this behavior is provided by the one-dimensional Lagrangian filament model, which is analyzed in detail

A priori probability that a qubit-qutrit pair is separable

We extend to arbitrarily coupled pairs of qubits (two-state quantum systems) and qutrits (three-state quantum systems) our earlier study (quant-ph/0207181), which was concerned with the simplest instance of entangled quantum systems, pairs of qubits. As in that analysis -- again on the basis of numerical (quasi-Monte Carlo) integration results, but now in a still higher-dimensional space (35-d vs. 15-d) -- we examine a conjecture that the Bures/SD (statistical distinguishability) probability that arbitrarily paired qubits and qutrits are separable (unentangled) has a simple exact value, u/(v Pi^3)= >.00124706, where u = 2^20 3^3 5 7 and v = 19 23 29 31 37 41 43 (the product of consecutive primes). This is considerably less than the conjectured value of the Bures/SD probability, 8/(11 Pi^2) = 0736881, in the qubit-qubit case. Both of these conjectures, in turn, rely upon ones to the effect that the SD volumes of separable states assume certain remarkable forms, involving "primorial" numbers. We also estimate the SD area of the boundary of separable qubit-qutrit states, and provide preliminary calculations of the Bures/SD probability of separability in the general qubit-qubit-qubit and qutrit-qutrit cases.Comment: 9 pages, 3 figures, 2 tables, LaTeX, we utilize recent exact computations of Sommers and Zyczkowski (quant-ph/0304041) of "the Bures volume of mixed quantum states" to refine our conjecture

High-Temperature Expansions of Bures and Fisher Information Priors

For certain infinite and finite-dimensional thermal systems, we obtain --- incorporating quantum-theoretic considerations into Bayesian thermostatistical investigations of Lavenda --- high-temperature expansions of priors over inverse temperature beta induced by volume elements ("quantum Jeffreys' priors) of Bures metrics. Similarly to Lavenda's results based on volume elements (Jeffreys' priors) of (classical) Fisher information metrics, we find that in the limit beta -> 0, the quantum-theoretic priors either conform to Jeffreys' rule for variables over [0,infinity], by being proportional to 1/beta, or to the Bayes-Laplace principle of insufficient reason, by being constant. Whether a system adheres to one rule or to the other appears to depend upon its number of degrees of freedom.Comment: Six pages, LaTeX. The title has been shortened (and then further modified), at the suggestion of a colleague. Other minor change

Spin-dependent transport in molecular tunnel junctions

We present measurements of magnetic tunnel junctions made using a self-assembled-monolayer molecular barrier. Ni/octanethiol/Ni samples were fabricated in a nanopore geometry. The devices exhibit significant changes in resistance as the angle between the magnetic moments in the two electrodes is varied, demonstrating that low-energy electrons can traverse the molecular barrier while maintaining spin coherence. An analysis of the voltage and temperature dependence of the data suggests that the spin-coherent transport signals can be degraded by localized states in the molecular barriers.Comment: 4 pages, 5 color figure

Alice: The Rosetta Ultraviolet Imaging Spectrograph

We describe the design, performance and scientific objectives of the NASA-funded ALICE instrument aboard the ESA Rosetta asteroid flyby/comet rendezvous mission. ALICE is a lightweight, low-power, and low-cost imaging spectrograph optimized for cometary far-ultraviolet (FUV) spectroscopy. It will be the first UV spectrograph to study a comet at close range. It is designed to obtain spatially-resolved spectra of Rosetta mission targets in the 700-2050 A spectral band with a spectral resolution between 8 A and 12 A for extended sources that fill its ~0.05 deg x 6.0 deg field-of-view. ALICE employs an off-axis telescope feeding a 0.15-m normal incidence Rowland circle spectrograph with a concave holographic reflection grating. The imaging microchannel plate detector utilizes dual solar-blind opaque photocathodes (KBr and CsI) and employs a 2 D delay-line readout array. The instrument is controlled by an internal microprocessor. During the prime Rosetta mission, ALICE will characterize comet 67P/Churyumov-Gerasimenko's coma, its nucleus, and the nucleus/coma coupling; during cruise to the comet, ALICE will make observations of the mission's two asteroid flyby targets and of Mars, its moons, and of Earth's moon. ALICE has already successfully completed the in-flight commissioning phase and is operating normally in flight. It has been characterized in flight with stellar flux calibrations, observations of the Moon during the first Earth fly-by, and observations of comet Linear T7 in 2004 and comet 9P/Tempel 1 during the 2005 Deep Impact comet-collision observing campaignComment: 11 pages, 7 figure

A new bond fluctuation method for a polymer undergoing gel electrophoresis

We present a new computational methodology for the investigation of gel electrophoresis of polyelectrolytes. We have developed the method initially to incorporate sliding motion of tight parts of a polymer pulled by an electric field into the bond fluctuation method (BFM). Such motion due to tensile force over distances much larger than the persistent length is realized by non-local movement of a slack monomer at an either end of the tight part. The latter movement is introduced stochastically. This new BFM overcomes the well-known difficulty in the conventional BFM that polymers are trapped by gel fibers in relatively large fields. At the same time it also reproduces properly equilibrium properties of a polymer in a vanishing filed limit. The new BFM thus turns out an efficient computational method to study gel electrophoresis in a wide range of the electric field strength.Comment: 15 pages, 11 figure

Pressure formulas for liquid metals and plasmas based on the density-functional theory

At first, pressure formulas for the electrons under the external potential produced by fixed nuclei are derived both in the surface integral and volume integral forms concerning an arbitrary volume chosen in the system; the surface integral form is described by a pressure tensor consisting of a sum of the kinetic and exchange-correlation parts in the density-functional theory, and the volume integral form represents the virial theorem with subtraction of the nuclear virial. Secondly on the basis of these formulas, the thermodynamical pressure of liquid metals and plasmas is represented in the forms of the surface integral and the volume integral including the nuclear contribution. From these results, we obtain a virial pressure formula for liquid metals, which is more accurate and simpler than the standard representation. From the view point of our formulation, some comments are made on pressure formulas derived previously and on a definition of pressure widely used.Comment: 18 pages, no figur

Density Functional Theory for the Photoionization Dynamics of Uracil

Photoionization dynamics of the RNA base Uracil is studied in the framework of Density Functional Theory (DFT). The photoionization calculations take advantage of a newly developed parallel version of a multicentric approach to the calculation of the electronic continuum spectrum which uses a set of B-spline radial basis functions and a Kohn-Sham density functional hamiltonian. Both valence and core ionizations are considered. Scattering resonances in selected single-particle ionization channels are classified by the symmetry of the resonant state and the peak energy position in the photoelectron kinetic energy scale; the present results highlight once more the site specificity of core ionization processes. We further suggest that the resonant structures previously characterized in low-energy electron collision experiments are partly shifted below threshold by the photoionization processes. A critical evaluation of the theoretical results providing a guide for future experimental work on similar biosystems

Multilevel blocking approach to the fermion sign problem in path-integral Monte Carlo simulations

A general algorithm toward the solution of the fermion sign problem in finite-temperature quantum Monte Carlo simulations has been formulated for discretized fermion path integrals with nearest-neighbor interactions in the Trotter direction. This multilevel approach systematically implements a simple blocking strategy in a recursive manner to synthesize the sign cancellations among different fermionic paths throughout the whole configuration space. The practical usefulness of the method is demonstrated for interacting electrons in a quantum dot.Comment: 4 pages RevTeX, incl. two figure