Ten-dimensional wave packet simulations of methane scattering

We present results of wavepacket simulations of scattering of an oriented methane molecule from a flat surface including all nine internal vibrations. At a translational energy up to 96 kJ/mol we find that the scattering is almost completely elastic. Vibrational excitations when the molecule hits the surface and the corresponding deformation depend on generic features of the potential energy surface. In particular, our simulation indicate that for methane to dissociate the interaction of the molecule with the surface should lead to an elongated equilibrium C--H bond length close to the surface.Comment: RevTeX 15 pages, 3 eps figures: This article may be found at http://link.aip.org/link/?jcp/109/1966

Progressive managerial bonuses in a spatial Bertrand duopoly

The relationship of managerial bonuses and profit maximization is interesting both from an economic and a managerial viewpoint. Our contribution to this literature is showing that progressive managerial bonuses can increase profits in a spatial Bertrand competition, and furthermore they can help collusion

On the efficient numerical solution of lattice systems with low-order couplings

We apply the Quasi Monte Carlo (QMC) and recursive numerical integration methods to evaluate the Euclidean, discretized time path-integral for the quantum mechanical anharmonic oscillator and a topological quantum mechanical rotor model. For the anharmonic oscillator both methods outperform standard Markov Chain Monte Carlo methods and show a significantly improved error scaling. For the quantum mechanical rotor we could, however, not find a successful way employing QMC. On the other hand, the recursive numerical integration method works extremely well for this model and shows an at least exponentially fast error scaling

Thermal evolution of the Schwinger model with Matrix Product Operators

We demonstrate the suitability of tensor network techniques for describing the thermal evolution of lattice gauge theories. As a benchmark case, we have studied the temperature dependence of the chiral condensate in the Schwinger model, using matrix product operators to approximate the thermal equilibrium states for finite system sizes with non-zero lattice spacings. We show how these techniques allow for reliable extrapolations in bond dimension, step width, system size and lattice spacing, and for a systematic estimation and control of all error sources involved in the calculation. The reached values of the lattice spacing are small enough to capture the most challenging region of high temperatures and the final results are consistent with the analytical prediction by Sachs and Wipf over a broad temperature range.Comment: 6 pages, 11 figure

H_2 Absorption and Fluorescence for Gamma Ray Bursts in Molecular Clouds

If a gamma ray burst with strong UV emission occurs in a molecular cloud, there will be observable consequences resulting from excitation of the surrounding H2. The UV pulse from the GRB will pump H2 into vibrationally-excited levels which produce strong absorption at wavelengths < 1650 A. As a result, both the prompt flash and later afterglow will exhibit strong absorption shortward of 1650 A, with specific spectroscopic features. Such a cutoff in the emission from GRB 980329 may already have been observed by Fruchter et al.; if so, GRB 980329 was at redshift 3.0 < z < 4.4 . BVRI photometry of GRB 990510 could also be explained by H2 absorption if GRB 990510 is at redshift 1.6 < z < 2.3. The fluorescence accompanying the UV pumping of the H2 will result in UV emission from the GRB which can extend over days or months, depending on parameters of the ambient medium and beaming of the GRB flash. The 7.5-13.6 eV fluorescent luminosity is \sim 10^{41.7} erg/s for standard estimates of the parameters of the GRB and the ambient medium. Spectroscopy can distinguish this fluorescent emission from other possible sources of transient optical emission, such as a supernova.Comment: 13 pages, including 4 figures. submitted to Ap.J.(Letters

新収作品 : ジョルジュ・ド・ラ・トゥール《聖トマス》

We present a tomographic technique making use of a gigaelectronvolt electron beam for the determination of the material budget distribution of centimeter-sized objects by means of simulations and measurements. In both cases, the trajectory of electrons traversing a sample under test is reconstructed using a pixel beam-telescope. The width of the deflection angle distribution of electrons undergoing multiple Coulomb scattering at the sample is estimated. Basing the sinogram on position-resolved estimators enables the reconstruction of the original sample using an inverse radon transform. We exemplify the feasibility of this tomographic technique via simulations of two structured cubes—made of aluminium and lead—and via an in-beam measured coaxial adapter. The simulations yield images with FWHM edge resolutions of (177 ± 13) μm and a contrast-to-noise ratio of 5.6 ± 0.2 (7.8 ± 0.3) for aluminium (lead) compared to air. The tomographic reconstruction of a coaxial adapter serves as experimental evidence of the technique and yields a contrast-to-noise ratio of 15.3 ± 1.0 and a FWHM edge resolution of (117 ± 4) μm

Spin precession and inverted Hanle effect in a semiconductor near a finite-roughness ferromagnetic interface

Although the creation of spin polarization in various non-magnetic media via electrical spin injection from a ferromagnetic tunnel contact has been demonstrated, much of the basic behavior is heavily debated. It is reported here for semiconductor/Al2O3/ferromagnet tunnel structures based on Si or GaAs that local magnetostatic fields arising from interface roughness dramatically alter and even dominate the accumulation and dynamics of spins in the semiconductor. Spin precession in the inhomogeneous magnetic fields is shown to reduce the spin accumulation up to tenfold, and causes it to be inhomogeneous and non-collinear with the injector magnetization. The inverted Hanle effect serves as experimental signature. This interaction needs to be taken into account in the analysis of experimental data, particularly in extracting the spin lifetime and its variation with different parameters (temperature, doping concentration). It produces a broadening of the standard Hanle curve and thereby an apparent reduction of the spin lifetime. For heavily doped n-type Si at room temperature it is shown that the spin lifetime is larger than previously determined, and a new lower bound of 0.29 ns is obtained. The results are expected to be general and occur for spins near a magnetic interface not only in semiconductors but also in metals, organic and carbon-based materials including graphene, and in various spintronic device structures.Comment: Final version, with text restructured and appendices added (25 pages, 9 figures). To appear in Phys. Rev.

Structural and Magnetic Properties of Trigonal Iron

First principles calculations of the electronic structure of trigonal iron were performed using density function theory. The results are used to predict lattice spacings, magnetic moments and elastic properties; these are in good agreement with experiment for both the bcc and fcc structures. We find however, that in extracting these quantities great care must be taken in interpreting numerical fits to the calculated total energies. In addition, the results for bulk iron give insight into the properties of thin iron films. Thin films grown on substrates with mismatched lattice constants often have non-cubic symmetry. If they are thicker than a few monolayers their electronic structure is similar to a bulk material with an appropriately distorted geometry, as in our trigonal calculations. We recast our bulk results in terms of an iron film grown on the (111) surface of an fcc substrate, and find the predicted strain energies and moments accurately reflect the trends for iron growth on a variety of substrates.Comment: 11 pages, RevTeX,4 tar'd,compressed, uuencoded Postscript figure

Химический состав донных отложений реки Васюган и ее притоков

Приведены результаты изучения химического состава донных отложений реки Васюган Томской области и ее притоков. Установлен средний за 1997-2005 гг. уровень содержания нефтепродуктов и более 20-и химических элементов. Выявлены взаимосвязи между концентрациями нефтепродуктов и хлорид-иона в донных отложениях и речных водах. Показано, что донные отложения водотоков в среднем по бассейну реки Васюган характеризуются как умеренно загрязненные и загрязненные