Investigations of Solid State Dynamics at the NRSSR Beamline at PETRA II. An Overview

The present status of the new nuclear resonance beamline PETRA 1 at HASYLAB, DESY, Hamburg is described. Besides an overview of the experimental setup some examples of recent experiments are given. Those cover the main applications, i.e., inelastic scattering from iron alloys and quasielastic scattering from glass-forming liquids. This revised version was published online in August 2006 with corrections to the Cover Date.     

Observation of dielectronic satellites in the K-spectrum of argon ions in plasma produced by femtosecond laser pulses

The satellite structure of 1s2p ^1,3 P ₁-1s ²¹ S ₀ lines of the He-like argon ion in plasma produced by a 45-fs laser pulse in a gas-jet cluster target is measured with a high spectral resolution. Radiation transitions 2p → 1s from autoionizing states (AISs) are detected for ions ranging from Li-like to F-like. The spectrum observed is theoretically simulated with the use of the spectroscopic data for the AISs of multicharged ions obtained within the multiconfiguration relativistic Hartree-Fock method. Good agreement with experimental data is obtained when the main population channels of these states are taken into account for typical values of cluster-target plasma parameters.     

Structures and stability of Al<Subscript><Emphasis Type="Bold">7</Emphasis></Subscript>C and Al<Subscript><Emphasis Type="Bold">7</Emphasis></Subscript>N clusters

We report results of the atomic and electronic structures of Al₇C cluster using ab initio molecular dynamics with ultrasoft pseudopotentials and generalized gradient approximation. The lowest energy structure is found to be the one in which carbon atom occupies an interstitial position in Al₇ cluster. The electronic structure shows that the recent observation [Chem. Phys. Lett. 316, 31 (2000)] of magic behavior of Al₇C^- cluster is due to a large highest occupied and lowest unoccupied molecular orbital (HOMO-LUMO) gap which makes Al₇C^- chemically inert. These results have further led us to the finding of a new neutral magic cluster Al₇N which has the same number of valence electrons as in Al₇C^- and a large HOMO-LUMO gap of 1.99 eV. Further, calculations have been carried out on (Al₇N)₂ to study interaction between magic clusters. Received 28 July 2001     

Momentum transport and torque scaling in Taylor-Couette flow from an analogy with turbulent convection

We generalize an analogy between rotating and stratified shear flows. This analogy is summarized in Table 1. We use this analogy in the unstable case (centrifugally unstable flow vs. convection) to compute the torque in Taylor-Couette configuration, as a function of the Reynolds number. At low Reynolds numbers, when most of the dissipation comes from the mean flow, we predict that the non-dimensional torque G = T/ν² L, where L is the cylinder length, scales with Reynolds number R and gap width η, G = 1.46η^3/2(1 - η)^-7/4 R ^3/2. At larger Reynolds number, velocity fluctuations become non-negligible in the dissipation. In these regimes, there is no exact power law dependence the torque versus Reynolds. Instead, we obtain logarithmic corrections to the classical ultra-hard (exponent 2) regimes: G = 0.50 . These predictions are found to be in excellent agreement with avail-able experimental data. Predictions for scaling of velocity fluctuations are also provided. Received 7 June 2001 and Received in final form 7 December 2001     

On the Determination of the Absolute Intensities of Vibrational-Rotational Lines of XY3 Molecules with C 3v Symmetry

Analytical formulas are derived that describe the dependences of the transition probabilities in vibrational-rotational spectra of XY₃-type molecules with C _3v symmetry on the rotational quantum numbers.     

The Lefschetz number of an involution on the space of harmonic cusp forms ofSL 3

Inventiones mathematicae -     

The frequency scale of speech intonation.

In intonation research, prominence-lending pitch movements have either been described on a linear or on a logarithmic frequency scale. An experiment has been carried out to check whether pitch movements in speech intonation are perceived on one of these two scales or on a psychoacoustic scale representing the frequency selectivity of the auditory system. This last scale is intermediary between the other two scales. Subjects matched the excursion size of prominence-lending pitch movements in utterances resynthesized in different pitch registers. Their task was to adjust the excursion size in a comparison stimulus in such a way that it lent equal prominence to the corresponding syllable in a fixed test stimulus. The comparison stimulus and the test stimulus had pitches running parallel on either the logarithmic frequency scale, the psychoacoustic scale, or the linear frequency scale. In one-half of the experimental sessions, the test stimulus was presented in the low register, while the comparison stimulus was presented in the high register, and, conversely, for the other half of the sessions. The result is that, in all cases, stimuli are matched in such a way that the average excursion sizes in different registers are equal on the psychoacoustic scale.     

Angular dependent rayleigh scattering of Mössbauer radiation on proteins

RSMR experiments with⁵⁷Fe radiation were performed on myoglobin. An areasensitive detector was employed for simultaneous angular dependent collection of the scattered quanta up to a maximum angle 2θ of 17‡. Experimental data of polycrystalline and lyophilized myoglobin are compared with computer calculations of the scattering which are based on the atomic coordinates determined by X-ray structure analysis. Special attention has been paid to the influence of coherence effects from collectively moving parts of the protein. A simple model is introduced in order to take into account these segmental motions. Our first results indicate that the sizes of collectively moving segments are comparable with spheres of about 6 å in diameter in dry myoglobin. In myoglobin crystals, where the molecules are surrounded by large hydration shells, the movements appear to be correlated in segments with sizes comparable to helices.

     

A search technique for global optimization in a chaotic environment

We describe a new algorithm which uses the trajectories of a discrete dynamical system to sample the domain of an unconstrained objective function in search of global minima. The algorithm is unusually adept at avoiding nonoptimal local minima and successfully converging to a global minimum. Trajectories generated by the algorithm for objective functions with many local minima exhibit chaotic behavior, in the sense that they are extremely sensitive to changes in initial conditions and system parameters. In this context, chaos seems to have a beneficial effect: failure to converge to a global minimum from a given initial point can often be rectified by making arbitrarily small changes in the system parameters.