Unifying Requirements and Code: an Example

Requirements and code, in conventional software engineering wisdom, belong to entirely different worlds. Is it possible to unify these two worlds? A unified framework could help make software easier to change and reuse. To explore the feasibility of such an approach, the case study reported here takes a classic example from the requirements engineering literature and describes it using a programming language framework to express both domain and machine properties. The paper describes the solution, discusses its benefits and limitations, and assesses its scalability.Comment: 13 pages; 7 figures; to appear in Ershov Informatics Conference, PSI, Kazan, Russia (LNCS), 201

Electron-hole pairs during the adsorption dynamics of O2 on Pd(100) - Exciting or not?

During the exothermic adsorption of molecules at solid surfaces dissipation of the released energy occurs via the excitation of electronic and phononic degrees of freedom. For metallic substrates the role of the nonadiabatic electronic excitation channel has been controversially discussed, as the absence of a band gap could favour an easy coupling to a manifold of electronhole pairs of arbitrarily low energies. We analyse this situation for the highly exothermic showcase system of molecular oxygen dissociating at Pd(100), using time-dependent perturbation theory applied to first-principles electronic-structure calculations. For a range of different trajectories of impinging O2 molecules we compute largely varying electron-hole pair spectra, which underlines the necessity to consider the high-dimensionality of the surface dynamical process when assessing the total energy loss into this dissipation channel. Despite the high Pd density of states at the Fermi level, the concomitant non-adiabatic energy losses nevertheless never exceed about 5% of the available chemisorption energy. While this supports an electronically adiabatic description of the predominant heat dissipation into the phononic system, we critically discuss the non-adiabatic excitations in the context of the O2 spin transition during the dissociation process.Comment: 20 pages including 7 figures; related publications can be found at http://www.fhi-berlin.mpg.de/th/th.html [added two references, changed V_{fsa} to V_{6D}, modified a few formulations in interpretation of spin asymmetry of eh-spectra, added missing equals sign in Eg.(2.10)

Two-temperature coronal flow above a thin disk

We extended the disk corona model (Meyer & Meyer-Hofmeister 1994; Meyer, Liu, & Meyer-Hofmeister 2000a) to the inner region of galactic nuclei by including different temperatures in ions and electrons as well as Compton cooling. We found that the mass evaporation rate and hence the fraction of accretion energy released in the corona depend strongly on the rate of incoming mass flow from outer edge of the disk, a larger rate leading to more Compton cooling, less efficient evaporation and a weaker corona. We also found a strong dependence on the viscosity, higher viscosity leading to an enhanced mass flow in the corona and therefore more evaporation of gas from the disk below. If we take accretion rates in units of the Eddington rate our results become independent on the mass of the central black hole. The model predicts weaker contributions to the hard X-rays for objects with higher accretion rate like narrow-line Seyfert 1 galaxies (NLS1s), in agreement with observations. For luminous active galactic nuclei (AGN) strong Compton cooling in the innermost corona is so efficient that a large amount of additional heating is required to maintain the corona above the thin disk.Comment: 17 pages, 6 figures. ApJ accepte

Heavy Meson Production in NN Collisions with Polarized Beam and Target -- A new facility for COSY

The study of near--threshold meson production in pp and pd collisions involving polarized beams and polarized targets offers the rare opportunity to gain insight into short--range features of the nucleon--nucleon interaction. The Cooler Synchrotron COSY at FZ--J\"ulich is a unique environment to perform such studies. Measurements of polarization observables require a cylindrically symmetrical detector, capable to measure the momenta and the directions of outgoing charged hadrons. The wide energy range of COSY leads to momenta of outgoing protons to be detected in a single meson production reaction between 300 and 2500 MeV/c. Scattering angles of protons to be covered extend to about $45^{\circ}$ in the laboratory system. An azimuthal angular coverage of the device around 98% seems technically achievable. The required magnetic spectrometer could consist of a superconducting toroid, providing fields around 3 T.Comment: 6 pages, 1 figure, submitted to Czechoslovak Journal of Physic

High-performance liquid chromatography analysis of mezlocillin, piperacillin, their degradation products, and of ioxitalamic acid in plasma and urine of healthy volunteers

In plasma and urine of 10 healthy volunteers after intravenous administration of 4 g mezlocillin and piperacillin, respectively, the parent compounds as well as degradation products were assayed by high-performance liquid chromatography. Ioxitalamic acid, a renal contrast medium, was administered simultaneously, in order to measure the glomerular filtration rate, and to control the collection of 24-h urine. As metabolite of mezlocillin the corresponding penicilloic acid only was found, whereas in the case of piperacillin a further degradation product was observed. Half of the doses given was recovered in the urine as unchanged drugs, and in addition 5-10% as metabolites. No differences were found in the pharmacokinetic behaviour of both antibiotics

Quantum transport in parallel magnetic fields: A realization of the Berry-Robnik symmetry phenomenon

We analyze the magnetoconductance of two-dimensional electron and hole gases (2DEGs) subject to a parallel magnetic field. It is shown that, for confining potential wells which are symmetric with respect to spatial inversion, a temperature-dependent weak localization signal exists even in the presence of a magnetic field. Deviations from this symmetry lead to magnetoconductance profiles that contain information on both, the geometry of the confining potential and characteristics of the disorder.Comment: 4 pages, 3 figures include

Lattice model study of the thermodynamic interplay of polymer crystallization and liquid-liquid demixing

We report Monte Carlo simulations of a lattice-polymer model that can account for both polymer crystallization and liquid-liquid demixing in solutions of semiflexible homopolymers. In our model, neighboring polymer segments can have isotropic interactions that affect demixing, and anisotropic interactions that are responsible for freezing. However, our simulations show that the isotropic interactions also have a noticeable effect on the freezing curve, as do the anisotropic interactions on demixing. As the relative strength of the isotropic interactions is reduced, the liquid-liquid demixing transition disappears below the freezing curve. A simple, extended Flory-Huggins theory accounts quite well for the phase behavior observed in the simulations.Comment: Revtex, 7 pages, the content accepted by J. Chem. Phy