Structure-reactivity Correlations in the catalytic coupling of ethyne over novel bimetallic Pd/Sn catalysts

The structure, thermal stability, and catalytic behavior of a novel highly dispersed silica-supported Pd/Sn catalyst prepared by an organometallic route have been examined by X-ray photoelectron, X-ray diffraction, and X-ray absorption, fine structure spectroscopies, the latter two measurements being carried outwith an in situ reaction cell. Additional reactor measurements were performed on a more Sn-rich catalyst and on a pure Pd catalyst. Varying the temperature of reduction induced large variations in catalytic performance toward ethyne-coupling reactions. These changes are understandable in terms of the destruction of SnO2-like structures surrounding the Pd core, yielding a skin of metallic Sn which subsequently undergoes intermixing with Pd. The overall thermal and catalytic behavior of these highly dispersed materials accords well with the analogous single-crystal model system.

Dynamical behaviour of multi-particle large-scale systems

Collective behaviours can be observed in both natural and man-made systems composed of a large number of elemental subsystems. Typically, each elemental subsystem has its own dynamics but, whenever interaction between individuals occurs, the individual behaviours tend to be relaxed, and collective behaviours emerge. In this paper, the collective behaviour of a large-scale system composed of several coupled elemental particles is analysed. The dynamics of the particles are governed by the same type of equations but having different parameter values and initial conditions. Coupling between particles is based on statistical feedback, which means that each particle is affected by the average behaviour of its neighbours. It is shown that the global system may unveil several types of collective behaviours, corresponding to partial synchronisation, characterised by the existence of several clusters of synchronised subsystems, and global synchronisation between particles, where all the elemental particles synchronise completely.

Analyse selbsterregter Strömungsfelder im Verdichter-Leitrad durch Kopplung von Particle Image Velocimetry und Hitzdrahtanemometrie mittels Fast Fourier Transformation

Der Einsatz der Particle Image Velocimetry (PIV) zur Analyse selbsterregter Strömungsphänomene und das dafür notwendige Auswerteverfahren werden in dieser Arbeit beschrieben. Zur Untersuchung von solchen Mechanismen, die in Turbo-Verdichtern als Rotierende Instabilitäten in Erscheinung treten, wird auf Datensätze zurückgegriffen, die anhand experimenteller Untersuchungen an einem ringförmigen Verdichter-Leitrad gewonnen wurden. Die Rotierenden Instabilitäten sind zeitabhängige Strömungsphänomene, die bei hohen aerodynamischen Belastungen in Verdichtergittern auftreten können. Aufgrund der fehlenden Phaseninformation kann diese instationäre Strömung mit konventionellen PIV-Systemen nicht erfasst werden. Die Kármánsche Wirbelstraße und Rotierende Instabilitäten stellen beide selbsterregte Strömungsvorgänge dar. Die Ähnlichkeit wird genutzt um die Funktionalität des Verfahrens anhand der Kármánschen Wirbelstraße nachzuweisen. Der mittels PIV zu visualisierende Wirbeltransport erfordert ein besonderes Verfahren, da ein externes Signal zur Festlegung des Phasenwinkels dieser selbsterregten Strömung nicht zur Verfügung steht. Die Methodik basiert auf der Kopplung der PIV-Technik mit der Hitzdrahtanemometrie. Die gleichzeitige Messung mittels einer zeitlich hochaufgelösten Hitzdraht-Messung ermöglicht den Zeitpunkten der PIV-Bilder einen Phasenwinkel zuzuordnen. Hierzu wird das Hitzdrahtsignal mit einem FFT-Verfahren analysiert, um die PIV-Bilder entsprechend ihrer Phasenwinkel zu gruppieren. Dafür werden die aufgenommenen Bilder auf der Zeitachse der Hitzdrahtmessungen markiert. Eine systematische Analyse des Hitzdrahtsignals in der Umgebung der PIV-Messung liefert Daten zur Festlegung der Grundfrequenz und erlaubt es, der markierten PIV-Position einen Phasenwinkel zuzuordnen. Die sich aus den PIV-Bildern einer Klasse ergebenden Geschwindigkeitskomponenten werden anschließend gemittelt. Aus den resultierenden Bildern jeder Klasse ergibt sich das zweidimensionale zeitabhängige Geschwindigkeitsfeld, in dem die Wirbelwanderung der Kármánschen Wirbelstraße ersichtlich wird. In hierauf aufbauenden Untersuchungen werden Zeitsignale aus Messungen in einem Verdichterringgitter analysiert. Dabei zeigt sich, dass zusätzlich Filterfunktionen erforderlich sind. Im Ergebnis wird schließlich deutlich, dass die Übertragung der anhand der Kármánschen Wirbelstraße entwickelten Methode nur teilweise gelingt und weitere Forschungsarbeiten erforderlich sind.

Mixed initial-boundary value problem in particle modeling of microelectronic devices

The Boltzmann equation in presence of boundary and initial conditions, which describes the general case of carrier transport in microelectronic devices is analysed in terms of Monte Carlo theory. The classical Ensemble Monte Carlo algorithm which has been devised by merely phenomenological considerations of the initial and boundary carrier contributions is now derived in a formal way. The approach allows to suggest a set of event-biasing algorithms for statistical enhancement as an alternative of the population control technique, which is virtually the only algorithm currently used in particle simulators. The scheme of the self-consistent coupling of Boltzmann and Poisson equation is considered for the case of weighted particles. It is shown that particles survive the successive iteration steps.

Coupling aerosol surface and bulk chemistry with a kinetic double layer model (K2-SUB): oxidation of oleic acid by ozone

We present a kinetic double layer model coupling aerosol surface and bulk chemistry (K2-SUB) based on the PRA framework of gas-particle interactions (Poschl-Rudich-Ammann, 2007). K2-SUB is applied to a popular model system of atmospheric heterogeneous chemistry: the interaction of ozone with oleic acid. We show that our modelling approach allows de-convoluting surface and bulk processes, which has been a controversial topic and remains an important challenge for the understanding and description of atmospheric aerosol transformation. In particular, we demonstrate how a detailed treatment of adsorption and reaction at the surface can be coupled to a description of bulk reaction and transport that is consistent with traditional resistor model formulations. From literature data we have derived a consistent set of kinetic parameters that characterise mass transport and chemical reaction of ozone at the surface and in the bulk of oleic acid droplets. Due to the wide range of rate coefficients reported from different experimental studies, the exact proportions between surface and bulk reaction rates remain uncertain. Nevertheless, the model results suggest an important role of chemical reaction in the bulk and an approximate upper limit of similar to 10(-11) cm(2) s(-1) for the surface reaction rate coefficient. Sensitivity studies show that the surface accommodation coefficient of the gas-phase reactant has a strong non-linear influence on both surface and bulk chemical reactions. We suggest that K2-SUB may be used to design, interpret and analyse future experiments for better discrimination between surface and bulk processes in the oleic acid-ozone system as well as in other heterogeneous reaction systems of atmospheric relevance.

One-dimensional trapped atoms: critical coupling parameter and critical number of particles

In this paper we consider the case of a Bose gas in low dimension in order to illustrate the applicability of a method that allows us to construct analytical relations, valid for a broad range of coupling parameters, for a function which asymptotic expansions are known. The method is well suitable to investigate the problem of stability of a collection of Bose particles trapped in one- dimensional configuration for the case where the scattering length presents a negative value. The eigenvalues for this interacting quantum one-dimensional many particle system become negative when the interactions overcome the trapping energy and, in this case, the system becomes unstable. Here we calculate the critical coupling parameter and apply for the case of Lithium atoms obtaining the critical number of particles for the limit of stability.

Confinement of spin-0 and spin-1/2 particles in a mixed vector-scalar coupling with unequal shapes for the potentials

The Klein - Gordon and the Dirac equations with vector and scalar potentials are investigated under a more general condition, V-v = V-s + constant. These isospectral problems are solved in the case of squared trigonometric potential functions and bound states for either particles or antiparticles are found. The eigenvalues and eigenfunctions are discussed in some detail. It is revealed that a spin-0 particle is better localized than a spin-1/2 particle when they have the same mass and are subjected to the same potentials.

Tensor coupling and pseudospin symmetry in nuclei

In this work we study the contribution of the isoscalar tensor coupling to the realization of pseudospin symmetry in nuclei. Using realistic values for the tensor coupling strength, we show that this coupling reduces noticeably the pseudospin splittings, especially for single-particle levels near the Fermi surface. By using an energy. decomposition of the pseudospin energy splittings, we show that the changes in these splittings come mainly through the changes induced in the lower radial wave function for the low-lying pseudospin partners and through changes in the expectation value of the pseudospin-orbit coupling term for surface partners. This allows us to confirm the conclusion already reached in previous studies, namely that the pseudospin symmetry in nuclei is of a dynamical nature.

Exact Foldy-Wouthuysen transformation for real spin-0 particle in curved space

Up to now, the only known exact Foldy-Wouthuysen transformation (FWT) in curved space is that concerning Dirac particles coupled to static spacetime metrics. Here we construct the exact FWT related to a real spin-0 particle for the aforementioned spacetimes. This exact transformation exists independently of the value of the coupling between the scalar field and gravity. Moreover, the gravitational Darwin term written for the conformal coupling is one-third of the corresponding term in the fermionic case. There are some arguments in the literature that seem to favor the choice lambda=1/6. We rehearse a number of claims of these works.

Lambda c(+), Sigma(c), and Lambda(b) hypernuclei in the quark-meson coupling model

Charmed (and bottom) hypernuclei are studied in the quark-meson coupling (QMC) model. This completes systematic studies of charmed (Lambda(c)(+), Sigma(c), Xi(c)), and Lambda(b) hypernuclei in the QMC model. Effects of the Pauli blocking due to the underlying quark structure of baryons, and the Sigma(c)N-Lambda(c)N channel coupling are phenomenologically taken into account at the hadronic level in the same way as those included for strange hypernuclei. Our results suggest that the Sigma(c)(++) and Xi(c)(+) hypernuclei are very unlikely to be formed. while the Lambda(c)(+), Xi(c)(0) and Lambda(b) hypernuclei are quite likely to be formed. For the Sigma(c)(+) hypernuclei, the formation probability is non-zero, though small. A detailed analysis is also made about the phenomenologically introduced Pauli blocking and channel coupling effects for the Sigma(c)(0) hypernuclei.

Teleparallel origin of the Fierz picture for spin-2 particle

A new approach to the description of a spin-2 particle in flat and curved spacetime is developed on the basis of the teleparallel gravity theory. We show that such an approach is in fact a true and natural framework for the Fierz representation proposed recently by Novello and Neves. More specifically, we demonstrate how the teleparallel theory fixes uniquely the structure of the Fierz tensor, discover the transparent origin of the gauge symmetry of the spin-2 model, and derive the linearized Einstein operator from the fundamental identity of the teleparallel gravity. In order to cope with the consistency problem on the curved spacetime, similarly to the usual Riemannian approach, one needs to include the nonminimal (torsion dependent) coupling terms.

Conformal coupling and Foldy-Wouthuysen transformation

The propagation of a free scalar field phi with mass m in a curved background is generally described by the equation (g(munu) delmudelnu + m(2) + xiR)phi = 0. There exist some arguments in the literature that seem to favor the conformal coupling to the detriment of the minimal one. However, the majority of these claims axe inconclusive. Here we show that the exact Foldy Wouthuysen transformation for spin-0 particle coupled to a wide class of static spacetime metrics exists independently of the value of. Nevertheless, if the coupling is of the conformal type, the gravitational Darwin-like term has an uncomplicated structure and it is proportional to the corresponding term in the fermionic case. In addition, an independent computation of this term, which has its origin in the zitterbewegung fluctuation of the boson's position with the mean square <(deltar)(2)> approximate to 1/m(2), gives a result that coincides with that obtained using the aforementioned exact transformation with xi = 1/6.

Measuring Higgs coupling to tau-leptons at future e(+)e(-) colliders

We perform a complete simulation of the process e(+)e(-) --> tau(+)tau(-)nu(ν) over bar where nu can be an electron, muon or tau neutrino, in the context of a general Higgs coupling to tau-leptons. We analyse various kinematical distributions and obtain the sensitivity regions in the parameter space that can be explored at a future e(+)e(-) collider. In particular, inclusion of W boson fusion enhances the sensitivity significantly.

Generalized sine-Gordon/massive Thirring models and soliton/particle correspondences

We consider a real Lagrangian off-critical submodel describing the soliton sector of the so-called conformal affine sl(3)((1)) Toda model coupled to matter fields. The theory is treated as a constrained system in the context of Faddeev-Jackiw and the symplectic schemes. We exhibit the parent Lagrangian nature of the model from which generalizations of the sine-Gordon (GSG) or the massive Thirring (GMT) models are derivable. The dual description of the model is further emphasized by providing the relationships between bilinears of GMT spinors and relevant expressions of the GSG fields. In this way we exhibit the strong/weak coupling phases and the (generalized) soliton/particle correspondences of the model. The sl(n)((1)) case is also outlined. (C) 2002 American Institute of Physics.

Semiclassical particle spectrum of double sine-Gordon model

We present new theoretical results on the spectrum of the quantum field theory of the double sine-Gordon model. This non-integrable model displays different varieties of kink excitations and bound states thereof. Their mass can be obtained by using a semiclassical expression of the matrix elements of the local fields. In certain regions of the coupling-constants space the semiclassical method provides a picture which is complementary to the one of the form factor perturbation theory, since the two techniques give information about the mass of different types of excitations. In other regions the two methods are comparable, since they describe the same kind of particles. Furthermore, the semiclassical picture is particularly suited to describe the phenomenon of false vacuum decay, and it also accounts in a natural way the presence of resonance states and the occurrence of a phase transition. (C) 2004 Elsevier B.V. All rights reserved.