@article{GorfmanTsirelsonPietsch2005, author = {Gorfman, S. V. and Tsirelson, Vladimir G. and Pietsch, Ullrich}, title = {X-ray diffraction by a crystal in a permanent external electric field : general considerations}, issn = {0108-7673}, year = {2005}, abstract = {The variations of X-ray diffraction intensities from a crystal in the presence of a permanent external electric field is modeled analytically using a first-order stationary perturbation theory. The change in a crystal, induced by an external electric field, is separated into two contributions. The first one is related to a pure polarization of an electron subsystem, while the second contribution can be reduced to the displacements of the rigid pseudoatoms from their equilibrium positions. It is shown that a change of the X-ray diffraction intensities mainly originates from the second contribution, while the influence of the pure polarization of a crystal electron subsystem is negligibly small. The quantities restored from an X-ray diffraction experiment in the presence of an external electric field were analyzed in detail in terms of a rigid pseudoatomic model of electron density and harmonic approximation for the atomic thermal motion. Explicit relationships are derived that link the properties of phonon spectra with E-field-induced variations of a structure factor, pseudoatomic displacements and piezoelectric strains. The displacements can be numerically estimated using a model of independent atomic motion if the Debye - Waller factors and pseudoatomic charges are known either from a previous single-crystal X-ray diffraction study or from density functional theory calculations. The above estimations can be used to develop an optimum strategy for a data collection that avoids the measurements of reflections insensitive to the electric-field-induced variations}, language = {en} } @article{KuleshDialloHolschneider2005, author = {Kulesh, Michail A. and Diallo, Mamadou Sanou and Holschneider, Matthias}, title = {Wavelet analysis of ellipticity, dispersion, and dissipation properties of Rayleigh waves}, issn = {1063-7710}, year = {2005}, abstract = {This paper is devoted to the digital processing of multicomponent seismograms using wavelet analysis. The goal of this processing is to identify Rayleigh surface elastic waves and determine their properties. A new method for calculating the ellipticity parameters of a wave in the form of a time-frequency spectrum is proposed, which offers wide possibilities for filtering seismic signals in order to suppress or extract the Rayleigh components. A model of dispersion and dissipation of elliptic waves written in terms of wavelet spectra of complex (two-component) signals is also proposed. The model is used to formulate a nonlinear minimization problem that allows for a high-accuracy calculation of the group and phase velocities and the attenuation factor for a propagating elliptic Rayleigh wave. All methods considered in the paper are illustrated with the use of test signals. (c) 2005 Pleiades Publishing, Inc}, language = {en} } @article{MaterzaniniTantardiniLindanetal.2005, author = {Materzanini, G. and Tantardini, G. F. and Lindan, P. J. D. and Saalfrank, Peter}, title = {Water adsorption at metal surfaces : a first-principles study of the p(root 3x root 3)R30 degrees H2O bilayer on Ru(0001)}, issn = {1098-0121}, year = {2005}, abstract = {In the light of recent intensity-voltage low energy electron diffraction (LEED-IV) experiments [Surf. Sci. 316, 92 (1994); Surf. Rev. Lett. 10, 487 (2003)], the electronic and geometric structure of a water bilayer adsorbed at the Ru(0001) surface are investigated through first-principles total energy calculations, using periodic slab geometries and gradient-corrected density functional theory (DFT). We consider five possible bilayer structures, all roughly consistent with the LEED-IV analysis (three intact structures and two half-dissociated), and a water single layer at Ru(0001). Adsorption energies and substrate-adsorbate geometry parameters are given and discussed in the light of the experiments. We also give a comparative analysis of the electron density redistribution (Delta rho) and of the dipole moment change (Delta mu) induced by water adsorption on the Ru(0001) surface. In agreement with Feibelman [Science 295, 99 (2002)], the half-dissociated structures are found to be more stable than the intact ones, and their adsorption geometries in better agreement with the LEED-IV data. However, the Delta rho analysis shows that a half-dissociated structure induces a Delta mu>0, which would be incompatible with the experimentally measured decrease of the work function following bilayer adsorption; the latter would be consistent, instead, with the Delta mu < 0 induced by the intact structures. It is the aim of this paper to compare various possible adsorption structures, most of them already considered previously, with one and the same method. For this purpose, thick slabs and restrictive computational parameters are chosen to generally address the accuracy and the limits of DFT in reproducing adsorption energies and bond lengths of water-metal interacting systems}, language = {en} } @article{SchneiderTeuchnerLeupold2005, author = {Schneider, M. and Teuchner, Klaus and Leupold, Dieter}, title = {Two-photon fluorescence of ocular melanomas. Studies on a new diagnostic method}, issn = {0941-293X}, year = {2005}, abstract = {Choroidal melanoma is the most frequent form of primary neoplasia among malignant ocular tumors. Since it is presumed that metastasis often occurs before the primary tumor is first diagnosed, early detection is exigent. The aim of the studies described in this report was to develop an objective, noninvasive method for the diagnosis of choroidal melanoma. The underlying new principle of fluorescence excitation is presented. This is based on the observation that melanin, due to its unique absorption characteristics, is selectively excited into fluorescence via stepwise absorption of two photons of a femtosecond laser emitting at 800 nm. In the experiment described, the fluorescence of excised tissue from healthy choroidal pigment epithelium was compared to that of excised choroidal melanoma. The fluorescence of choroidal melanomas exhibited a more reddish appearance and less intensity than that of healthy tissue. This implies that the configuration of melanin apparently changes during the process of malignant degeneration. The method described here could thus serve as an evidentiary objective diagnostic technique before initiating treatment for choroidal melanomas}, language = {en} } @article{PoschelBrilliantovSchwager2005, author = {Poschel, T. and Brilliantov, Nikolai V. and Schwager, T.}, title = {Transient clusters in granular gases}, issn = {0953-8984}, year = {2005}, abstract = {The most striking phenomenon in the dynamics of granular gases is the formation of clusters and other structures. We investigate a gas of dissipatively colliding particles with a velocity dependent coefficient of restitution where cluster formation occurs as a transient phenomenon. Although for small impact velocity the particles collide elastically, surprisingly the temperature converges to zero}, language = {en} } @article{MellingerSinghWegeneretal.2005, author = {Mellinger, Axel and Singh, Rajeev and Wegener, Michael and Wirges, Werner and Gerhard, Reimund and Lang, Sidney B.}, title = {Three-dimensional mapping of polarization profiles with thermal pulses}, issn = {0003-6951}, year = {2005}, abstract = {High-resolution, large-area three-dimensional mapping of polarization profiles in electret polymers was carried out by means of a fast thermal pulse technique with a focused laser beam. A lateral resolution of 38 mu m and a near- surface depth resolution of less than 0.5 mu m was achieved. At larger depths, fast thermal diffusion in the metal electrode rather than the laser spot size becomes the limiting factor for the lateral resolution. (c) 2005 American Institute of Physics}, language = {en} } @article{SaphiannikovaNeher2005, author = {Saphiannikova, Marina and Neher, Dieter}, title = {Thermodynamic theory of light-induced material transport in amorphous azobenzene polymer films}, issn = {1520-6106}, year = {2005}, abstract = {It was discovered 10 years ago that the exposure of an initially flat layer of an azobenzene-containing polymer to an inhomogeneous light pattern leads to the formation of surface relief structures, accompanied by a mass transport over several micrometers. However, the driving force of this process is still unclear. We propose a new thermodynamic approach that explains a number of experimental findings including the light-induced deformation of free-standing films and the formation of surface relief gratings for main inscription geometries. Our basic assumption is that under homogeneous illumination, an initially isotropic sample should stretch itself along the polarization direction to compensate the entropy decrease produced by the photoinduced reorientation of azobenzene chromophores. The magnitude of the elastic stress, estimated by taking the derivative of the free energy over the sample deformation, is shown to be sufficient to induce plastic deformation of the polymer film. Orientational distributions of chromophores predicted by our model are compared with those deduced from Raman intensity measurements}, language = {en} } @article{EvansSmarttLeeetal.2005, author = {Evans, C. J. and Smartt, S. J. and Lee, J. K. and Lennon, D. J. and Kaufer, A. and Dufton, P. L. and Trundle, C. and Herrero, A. and Simon D{\´i}az, Sergio and de Koter, A. and Hamann, Wolf-Rainer and Hendry, M. A. and Hunter, I. and Irwin, M. J. and Korn, A. J. and Kudritzki, R. P. and Langer, Norbert and Mokiem, M. R. and Najarro, F. and Pauldrach, A. W. A. and Przybilla, Norbert and Puls, J. and Ryans, R. S. I. and Urbaneja, M. A. and Venn, K. A. and Villamariz, M. R.}, title = {The VLT-FLAMES survey of massive stars : Observations in the Galactic clusters NGC3293, NGC4755 and NGC6611}, year = {2005}, abstract = {We introduce a new survey of massive stars in the Galaxy and the Magellanic Clouds using the Fibre Large Array Multi- Element Spectrograph ( FLAMES) instrument at the Very Large Telescope ( VLT). Here we present observations of 269 Galactic stars with the FLAMES- Giraffe Spectrograph ( R similar or equal to 25 000), in fields centered on the open clusters NGC3293, NGC4755 and NGC6611. These data are supplemented by a further 50 targets observed with the Fibre- Fed Extended Range Optical Spectrograph ( FEROS, R = 48 000). Following a description of our scientific motivations and target selection criteria, the data reduction methods are described; of critical importance the FLAMES reduction pipeline is found to yield spectra that are in excellent agreement with less automated methods. Spectral classifications and radial velocity measurements are presented for each star, with particular attention paid to morphological peculiarities and evidence of binarity. These observations represent a significant increase in the known spectral content of NGC3293 and NGC4755, and will serve as standards against which our subsequent FLAMES observations in the Magellanic Clouds will be compared}, language = {en} } @article{ZollerHolschneiderBenZion2005, author = {Zoller, Gert and Holschneider, Matthias and Ben-Zion, Yehuda}, title = {The role of heterogeneities as a tuning parameter of earthquake dynamics}, issn = {0033-4553}, year = {2005}, abstract = {We investigate the influence of spatial heterogeneities on various aspects of brittle failure and seismicity in a model of a large strike-slip fault. The model dynamics is governed by realistic boundary conditions consisting of constant velocity motion of regions around the fault, static/kinetic friction laws, creep with depth-dependent coefficients, and 3-D elastic stress transfer. The dynamic rupture is approximated on a continuous time scale using a finite stress propagation velocity ("quasidynamic model''). The model produces a "brittle- ductile'' transition at a depth of about 12.5 km, realistic hypocenter distributions, and other features of seismicity compatible with observations. Previous work suggested that the range of size scales in the distribution of strength-stress heterogeneities acts as a tuning parameter of the dynamics. Here we test this hypothesis by performing a systematic parameter-space study with different forms of heterogeneities. In particular, we analyze spatial heterogeneities that can be tuned by a single parameter in two distributions: ( 1) high stress drop barriers in near- vertical directions and ( 2) spatial heterogeneities with fractal properties and variable fractal dimension. The results indicate that the first form of heterogeneities provides an effective means of tuning the behavior while the second does not. In relatively homogeneous cases, the fault self-organizes to large-scale patches and big events are associated with inward failure of individual patches and sequential failures of different patches. The frequency-size event statistics in such cases are compatible with the characteristic earthquake distribution and large events are quasi-periodic in time. In strongly heterogeneous or near-critical cases, the rupture histories are highly discontinuous and consist of complex migration patterns of slip on the fault. In such cases, the frequency-size and temporal statistics follow approximately power-law relations}, language = {en} } @article{YorkJacksonBrowneetal.2005, author = {York, T. and Jackson, N. and Browne, Ian W. A. and Wucknitz, Olaf and Skelton, J. E.}, title = {The Hubble constant from the gravitational lens CLASS B0218+357 using the Advanced Camera for Surveys}, issn = {0035-8711}, year = {2005}, abstract = {We present deep optical observations of the gravitational lens system CLASS B0218 + 357, from which we derive an estimate for the Hubble constant (H-0). Extensive radio observations using the VLA, MERLIN, the VLBA and VLBI have reduced the degeneracies between H-0 and the mass model parameters in this lens to one involving only the position of the radio-quiet lensing galaxy with respect to the lensed images. B0218 + 357 has an image separation of only 334 mas, so optical observations have, up until now, been unable to resolve the lens galaxy from the bright lensed images. Using the new Advanced Camera for Surveys (ACS), installed on the Hubble Space Telescope in 2002, we have obtained deep optical images of the lens system and surrounding field. These observations have allowed us to determine the separation between the lens galaxy centre and the brightest image, and so estimate H-0. We find an optical galaxy position, and hence an H0 value, that varies depending on our approach to the spiral arms in B0218 + 357. If the most prominent spiral arms are left unmasked, we find H-0 = 70 +/- 5 km s(-1) Mpc(-1) (95 per cent confidence). If the spiral arms are masked out, we find H-0 = 61 +/- 7 km s(-1) Mpc(-1) (95 per cent confidence)}, language = {en} }