Potential Energy Surface for H_2 Dissociation over Pd(100)

The potential energy surface (PES) of dissociative adsorption of H_2 on Pd(100) is investigated using density functional theory and the full-potential linear augmented plane wave (FP-LAPW) method. Several dissociation pathways are identified which have a vanishing energy barrier. A pronounced dependence of the potential energy on ``cartwheel'' rotations of the molecular axis is found. The calculated PES shows no indication of the presence of a precursor state in front of the surface. Both results indicate that steering effects determine the observed decrease of the sticking coefficient at low energies of the H_2 molecules. We show that the topology of the PES is related to the dependence of the covalent H(s)-Pd(d) interactions on the orientation of the H_2 molecule.Comment: RevTeX, 8 pages, 5 figures in uufiles forma

Tailoring the frictional properties of granular media

A method of modifying the roughness of soda-lime glass spheres is presented, with the purpose of tuning inter-particle friction. The effect of chemical etching on the surface topography and the bulk frictional properties of grains is systematically investigated. The surface roughness of the grains is measured using white light interferometry and characterised by the lateral and vertical roughness length scales. The underwater angle of repose is measured to characterise the bulk frictional behaviour. We observe that the co-efficient of friction depends on the vertical roughness length scale. We also demonstrate a bulk surface roughness measurement using a carbonated soft drink.Comment: 10 pages, 17 figures, submitted to Phys. Rev.

Statistical mechanics for static granular media: open questions

International audienceThe theoretical description of granular materials, or assemblies of macroscopic particles, is a formidable task. Not only are granular materials out of thermal equilibrium, but they are also characterized by dissipative interactions and by static friction. Following a suggestion by S.~F. Edwards, researchers have investigated the possible existence of a statistical mechanics of static granular systems, which would permit the description of macroscopic properties of mechanically stable granular assemblies from just a few parameters. The formulation and the validity of such an approach is still a matter of debate. This ''emerging area'' focuses on three important questions concerning such a statistical mechanics approach. First, we consider how the phase space of interest is affected by the requirement of mechanical stability. Second, we explore how the intensive parameters analogous to temperature can be determined from experimental or numerical data. Finally, we contrast different ways to express the granular counterpart to the classical Hamiltonian, known as the volume function

On the existence of stationary states during granular compaction

When submitted to gentle mechanical taps a granular packing slowly compacts until it reaches a stationary state that depends on the tap characteristics. The properties of such stationary states are experimentally investigated. The influence of the initial state, taps properties and tapping protocol are studied. The compactivity of the packings is determinated. Our results strongly support the idea that the stationary states are genuine thermodynamic states.Comment: to be published in EPJE. The original publication will be available at www.europhysj.or

Numerical Methods to Quantify the Model Risk of Basket Default Swaps

Abstract The valuation of basket default swaps depends crucially on the joint default probability of the underlying assets in the basket. It is known that this probability can be modeled by means of a copula function which links the marginal default probabilities to a joint probability. The valuation bears risk due to the uncertainty of the copula, the relation of the assets to each other and the marginal distributions which we call together the model risk. To value basket default swaps and to compute model risk parameters we present an efficient numerical approach based on importance sampling and applicable to different classes of copula models. Our numerical findings show that the choice of the underlying copula model influences strongly the risk profile of the basket and should be tailored advisedly

Random close packing of granular matter

We propose an interpretation of the random close packing of granular materials as a phase transition, and discuss the possibility of experimental verification.Comment: 6 page

Positron spectra from internal pair conversion observed in {238}U + {181}Ta collisions

We present new results from measurements and simulations of positron spectra, originating from 238U + 181Ta collisions at beam energies close to the Coulomb barrier. The measurements were performed using an improved experimental setup at the double-Orange spectrometer of GSI. Particular emphasis is put on the signature of positrons from Internal-Pair-Conversion (IPC) processes in the measured e+ energy spectra, following the de-excitation of electromagnetic transitions in the moving Ta-like nucleus. It is shown by Monte Carlo simulations that, for the chosen current sweeping procedure used in the present experiments, positron emission from discrete IPC transitions can lead to rather narrow line structures in the measured energy spectra. The measured positron spectra do not show evidence for line structures within the statistical accuracy achieved, although expected from the intensities of the observed $\gamma$ transitions (E$_{\gamma}~1250-1600$ keV) and theoretical conversion coefficients. This is due to the reduced detection efficiency for IPC positrons, caused by the limited spatial and momentum acceptance of the spectrometer. A comparison with previous results, in which lines have been observed, is presented and the implications are discussed.Comment: LaTeX, 20 pages including 5 EPS figures; Accepted by Eur. Phys.Jour.

The role of electromagnetic trapped modes in extraordinary transmission in nanostructured materials

We assert that the physics underlying the extraordinary light transmission (reflection) in nanostructured materials can be understood from rather general principles based on the formal scattering theory developed in quantum mechanics. The Maxwell equations in passive (dispersive and absorptive) linear media are written in the form of the Schr\"{o}dinger equation to which the quantum mechanical resonant scattering theory (the Lippmann-Schwinger formalism) is applied. It is demonstrated that the existence of long-lived quasistationary eigenstates of the effective Hamiltonian for the Maxwell theory naturally explains the extraordinary transmission properties observed in various nanostructured materials. Such states correspond to quasistationary electromagnetic modes trapped in the scattering structure. Our general approach is also illustrated with an example of the zero-order transmission of the TE-polarized light through a metal-dielectric grating structure. Here a direct on-the-grid solution of the time-dependent Maxwell equations demonstrates the significance of resonances (or trapped modes) for extraordinary light transmissioComment: 14 pages, 6 figures; Discussion in Section 4 expanded; typos corrected; a reference added; Figure 4 revise

Cross-site assessment of road design packages

This report develop a concept for evaluating alternative design solutions for urban streets: the Street Performance Assessment Scheme. It should be generally valid and applicable to any redesign task, to compare the performance of a road/street section: (1) with the goals formulated for each case study, (2) in situations before and after the implementation of a redesign solution, and (3) between different case studies in cross-site assessments. In this report, the Street Performance Assessment Scheme is applied to streets in five European cities. These streets have major movement and 'place' functions and have limited space availabilities, and are thus typical examples for the most challenging design tasks that urban street designers face