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Institute
We investigate the bifurcation structures in a two-dimensional parameter space (PS) of a parametrically excited system with two degrees of freedom both analytically and numerically. By means of the Renyi entropy of second order K-2, which is estimated from recurrence plots, we uncover that regions of chaotic behavior are intermingled with many complex periodic windows, such as shrimp structures in the PS. A detailed numerical analysis shows that, the stable solutions lose stability either via period doubling, or via intermittency when the parameters leave these shrimps in different directions, indicating different bifurcation properties of the boundaries. The shrimps of different sizes offer promising ways to control the dynamics of such a complex system.
How do diverse dynamical patterns arise from the topology of complex networks? We study synchronization dynamics in the cortical brain network of the cat, which displays a hierarchically clustered organization, by modeling each node (cortical area) with a subnetwork of interacting excitable neurons. We find that in the biologically plausible regime the dynamics exhibits a hierarchical modular organization, in particular, revealing functional clusters coinciding with the anatomical communities at different scales. Our results provide insights into the relationship between network topology and functional organization of complex brain networks.
Recent research using the complex network approach has revealed a rich and complicated network topology in the cortical connectivity of mammalian brains. It is of importance to understand the implications of such complex network structures in the functional organization of the brain activities. Here we study this problem from the viewpoint of dynamical complex networks. We investigate synchronization dynamics on the corticocortical network of the cat by modeling each node (cortical area) of the network with a sub-network of interacting excitable neurons. We find that the network displays clustered synchronization behavior, and the dynamical clusters coincide with the topological community structures observed in the anatomical network. Our results provide insights into the relationship between the global organization and the functional specialization of the brain cortex.
In this work the first observation of new type of liquid crystals is presented. This is ionic self-assembly (ISA) liquid crystals formed by introduction of oppositely charged ions between different low molecular tectonic units. As practically all conventional liquid crystals consist of rigid core and alkyl chains the attention is focused to the simplest case where oppositely charged ions are placed between a rigid core and alkyl tails. The aim of this work is to investigate and understand liquid crystalline and alignment properties of these materials. It was found that ionic interactions within complexes play the main role. Presence of these interactions restricts transition to isotropic phase. In addition, these interactions hold the system (like network) allowing crystallization into a single domain from aligned LC state. Alignment of these simple ISA complexes was spontaneous on a glass substrate. In order to show potentials for application perylenediimide and azobenzene containing ISA complexes have been investigated for correlations between phase behavior and their alignment properties. The best results of macroscopic alignment of perylenediimide-based ISA complexes have been obtained by zone-casting method. In the aligned films the columns of the complex align perpendicular to the phase-transition front. The obtained anisotropy (DR = 18) is thermally stable. The investigated photosensitive (azobenzene-based) ISA complexes show formation of columnar LC phases. It was demonstrated that photo alignment of such complexes was very effective (DR = 50 has been obtained). It was shown that photo-reorientation in the photosensitive ISA complexes is cooperative process. The size of domains has direct influence on efficiency of the photo-reorientation process. In the case of small domains the photo-alignment is the most effective. Under irradiation with linearly polarized light domains reorient in the plane of the film leading to macroscopic alignment of columns parallel to the light polarization and joining of small domains into big ones. Finally, the additional distinguishable properties of the ISA liquid crystalline complexes should be noted: (I) the complexes do not solve in water but readily solve in organic solvents; (II) the complexes have good film-forming properties when cast or spin-coated from organic solvent; (III) alignment of the complexes depends on their structure and secondary interactions between tectonic units.
This paper discusses translocation features of the 20S proteasome in order to explain typical proteasome length distributions. We assume that the protein transport depends significantly on the fragment length with some optimal length which is transported most efficiently. By means of a simple one-channel model, we show that this hypothesis can explain both the one- and the three-peak length distributions found in experiments. A possible mechanism of such translocation is provided by so-called fluctuation-driven transport.
It is shown that several polymers can form insoluble interfacial layers on a poly (ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) layer after annealing of the double-layer structure. The thickness of the interlayer is dependent on the characteristics of the underlying PEDOT.PSS and the molecular weight of the polymers. It is further shown that the electronic structures of the interlayer polymers have a significant effect on the properties of red-light-emitting polymer-based electrophosphorescent devices. Upon increasing the highest occupied molecular orbital and lowest unoccupied molecular orbital positions, a significant increase in current density and device efficiency is observed. This is attributed to efficient blocking of electrons in combination with direct injection of holes from the interlayer to the phosphorescent dye. Upon proper choice of the interlayer polymer, efficient red, polymer-based electrophosphorescent devices with a peak luminance efficiency of 5.5 cd A(-1) (external quantum efficiency = 6 %) and a maximum power-conversion efficiency of 5 Im W-1 can be realized.
Variationen der stratosphärischen Residualzirkulation und ihr Einfluss auf die Ozonverteilung
(2006)
Die Residualzirkulation entspricht der mittleren Massenzirkulation und beschreibt die im zonalen Mittel stattfindenden meridionalen Transportprozesse. Die Variationen der Residualzirkulation bestimmen gemeinsam mit dem anthropogen verursachten Ozonabbau die jährlichen Schwankungen der Ozongesamtsäule im arktischen Frühling. In der vorliegenden Arbeit wird die Geschwindigkeit des arktischen Astes der Residualzirkulation aus atmosphärischen Daten gewonnen. Zu diesem Zweck wird das diabatische Absinken im Polarwirbel mit Hilfe von Trajektorienrechnungen bestimmt. Die vertikalen Bewegungen der Luftpakete können mit vertikalen Windfeldern oder entsprechend einem neuen Ansatz mit diabatischen Heizraten angetrieben werden. Die Eingabedaten stammen aus dem 45 Jahre langen Reanalyse-Datensatz des "European Centre for Medium Range Weather Forecast" (ECMWF). Außerdem kann für die Jahre ab 1984 die operationelle ECMWF-Analyse verwendet werden. Die Qualität und Robustheit der Heizraten- und Trajektorienrechnungen werden durch Sensitivitätsstudien und Vergleiche mit anderen Modellen untermauert. Anschließend werden umfangreiche Trajektorienensemble statistisch ausgewertet, um ein detailliertes, zeit- und höhenaufgelöstes Bild des diabatischen Absinkens zu ermitteln. In diesem Zusammenhang werden zwei Methoden entwickelt, um das Absinken gemittelt im Polarwirbel oder als Funktion der äquivalenten Breite zu bestimmen. Es wird gezeigt, dass es notwendig ist den Lagrangeschen auf Trajektorienrechnungen basierenden Ansatz zu verfolgen, da die einfachen Eulerschen Mittel Abweichungen zu den Lagrangeschen Vertikalgeschwindigkeiten aufweisen. Das wirbelgemittelte Absinken wird für einzelne Winter mit dem beobachteten Absinken langlebiger Spurengase und anderen Modellstudien verglichen. Der Vergleich zeigt, dass das Absinken basierend auf den vertikalen Windfeldern der ECMWF-Datensätze den Nettoluftmassentransport durch die Residualzirkulation sehr stark überschätzt. Der neue Ansatz basierend auf den Heizraten ergibt hingegen realistische Ergebnisse und wird aus diesem Grund für alle Rechnungen verwendet. Es wird erstmalig eine Klimatologie des diabatischen Absinkens über einen fast fünf Jahrzehnte umfassenden Zeitraum erstellt. Die Klimatologie beinhaltet das vertikal und zeitlich aufgelöste diabatische Absinken gemittelt über den gesamten Polarwirbel und Informationen über die räumliche Struktur des vertikalen Absinkens. Die natürliche Jahr-zu-Jahr Variabilität des diabatischen Absinkens ist sehr stark ausgeprägt. Es wird gezeigt, dass zwischen der ECMWF-Zeitreihe des diabatischen Absinkens und der Zeitreihe aus einem unabhängig analysierten Temperaturdatensatz hohe Korrelationen bestehen. Erstmals wird der Einfluss von Transportprozessen auf die Ozongesamtsäule im arktischen Frühling direkt quantifiziert. Es wird gezeigt, dass die Jahr-zu-Jahr Variabilität der Ozongesamtsäule im arktischen Frühling zu gleichen Anteilen durch die Variabilität der dynamischen Komponente und durch die Variabilität der chemischen Komponente beeinflusst wird. Die gefundenen Variabilitäten von diabatischem Absinken und Ozoneintrag in hohen Breiten werden mit der vertikalen Ausbreitung planetarer Wellen aus der Troposphäre in die Stratosphäre in Beziehung gesetzt.
In July 2004 the Cassini–Huygens mission reached the Saturnian system and started its orbital tour. A total of 75 orbits will be carried out during the primary mission until August 2008. In these four years Cassini crosses the ring plane 150 times and spends approx. 400 h within Titan's orbit. The Cosmic Dust Analyser (CDA) onboard Cassini characterises the dust environment with its extended E ring and embedded moons. Here, we focus on the CDA results of the first year and we present the Dust Analyser (DA) data within Titan's orbit. This paper does investigate High Rate Detector data and dust composition measurements. The authors focus on the analysis of impact rates, which were strongly variable primarily due to changes of the spacecraft pointing. An overview is given about the ring plane crossings and the DA counter measurements. The DA dust impact rates are compared with the DA boresight configuration around all ring plane crossings between June 2004 and July 2005. Dust impacts were registered at altitudes as high as 100 000 km above the ring plane at distances from Saturn between 4 and 10 Saturn radii. In those regions the dust density of particles bigger than 0.5 can reach values of 0.001m-3.
Uncertainty about the sensitivity of the climate system to changes in the Earth’s radiative balance constitutes a primary source of uncertainty for climate projections. Given the continuous increase in atmospheric greenhouse gas concentrations, constraining the uncertainty range in such type of sensitivity is of vital importance. A common measure for expressing this key characteristic for climate models is the climate sensitivity, defined as the simulated change in global-mean equilibrium temperature resulting from a doubling of atmospheric CO2 concentration. The broad range of climate sensitivity estimates (1.5-4.5°C as given in the last Assessment Report of the Intergovernmental Panel on Climate Change, 2001), inferred from comprehensive climate models, illustrates that the strength of simulated feedback mechanisms varies strongly among different models. The central goal of this thesis is to constrain uncertainty in climate sensitivity. For this objective we first generate a large ensemble of model simulations, covering different feedback strengths, and then request their consistency with present-day observational data and proxy-data from the Last Glacial Maximum (LGM). Our analyses are based on an ensemble of fully-coupled simulations, that were realized with a climate model of intermediate complexity (CLIMBER-2). These model versions cover a broad range of different climate sensitivities, ranging from 1.3 to 5.5°C, and have been generated by simultaneously perturbing a set of 11 model parameters. The analysis of the simulated model feedbacks reveals that the spread in climate sensitivity results from different realizations of the feedback strengths in water vapour, clouds, lapse rate and albedo. The calculated spread in the sum of all feedbacks spans almost the entire plausible range inferred from a sampling of more complex models. We show that the requirement for consistency between simulated pre-industrial climate and a set of seven global-mean data constraints represents a comparatively weak test for model sensitivity (the data constrain climate sensitivity to 1.3-4.9°C). Analyses of the simulated latitudinal profile and of the seasonal cycle suggest that additional present-day data constraints, based on these characteristics, do not further constrain uncertainty in climate sensitivity. The novel approach presented in this thesis consists in systematically combining a large set of LGM simulations with data information from reconstructed regional glacial cooling. Irrespective of uncertainties in model parameters and feedback strengths, the set of our model versions reveals a close link between the simulated warming due to a doubling of CO2, and the cooling obtained for the LGM. Based on this close relationship between past and future temperature evolution, we define a method (based on linear regression) that allows us to estimate robust 5-95% quantiles for climate sensitivity. We thus constrain the range of climate sensitivity to 1.3-3.5°C using proxy-data from the LGM at low and high latitudes. Uncertainties in glacial radiative forcing enlarge this estimate to 1.2-4.3°C, whereas the assumption of large structural uncertainties may increase the upper limit by an additional degree. Using proxy-based data constraints for tropical and Antarctic cooling we show that very different absolute temperature changes in high and low latitudes all yield very similar estimates of climate sensitivity. On the whole, this thesis highlights that LGM proxy-data information can offer an effective means of constraining the uncertainty range in climate sensitivity and thus underlines the potential of paleo-climatic data to reduce uncertainty in future climate projections.
Stars are born in turbulent molecular clouds that fragment and collapse under the influence of their own gravity, forming a cluster of hundred or more stars. The star formation process is controlled by the interplay between supersonic turbulence and gravity. In this work, the properties of stellar clusters created by numerical simulations of gravoturbulent fragmentation are compared to those from observations. This includes the analysis of properties of individual protostars as well as statistical properties of the entire cluster. It is demonstrated that protostellar mass accretion is a highly dynamical and time-variant process. The peak accretion rate is reached shortly after the formation of the protostellar core. It is about one order of magnitude higher than the constant accretion rate predicted by the collapse of a classical singular isothermal sphere, in agreement with the observations. For a more reasonable comparison, the model accretion rates are converted to the observables bolometric temperature, bolometric luminosity, and envelope mass. The accretion rates from the simulations are used as input for an evolutionary scheme. The resulting distribution in the Tbol-Lbol-Menv parameter space is then compared to observational data by means of a 3D Kolmogorov-Smirnov test. The highest probability found that the distributions of model tracks and observational data points are drawn from the same population is 70%. The ratios of objects belonging to different evolutionary classes in observed star-forming clusters are compared to the temporal evolution of the gravoturbulent models in order to estimate the evolutionary stage of a cluster. While it is difficult to estimate absolute ages, the realtive numbers of young stars reveal the evolutionary status of a cluster with respect to other clusters. The sequence shows Serpens as the youngest and IC 348 as the most evolved of the investigated clusters. Finally the structures of young star clusters are investigated by applying different statistical methods like the normalised mean correlation length and the minimum spanning tree technique and by a newly defined measure for the cluster elongation. The clustering parameters of the model clusters correspond in many cases well to those from observed ones. The temporal evolution of the clustering parameters shows that the star cluster builds up from several subclusters and evolves to a more centrally concentrated cluster, while the cluster expands slower than new stars are formed.
Recent progress towards a quantum theory of laser-induced desorption and related phenomena is reviewed, for specific examples. These comprise the photodesorption of NO from Pt(111), the scanning tunnelling microscope and laser- induced desorption and switching of H at Si(100), and the electron stimulated desorption and dissociation of CO at Ru(0001). The theoretical methods used for nuclear dynamics range from open-system density matrix theory over nonadiabatically coupled multi-state models to electron-nuclear wavepackets. Also, aspects of time-dependent spectroscopy to probe ultrafast nonadiabatic processes at surfaces will be considered for the example of two-photon photoemission of solvated electrons in ice layers on Cu(111)
Three methods for the determination of the surface tension of liquids based on force measurements namely, the vertical plate method of Wilhelmy, the frame method of Lenard and the ring method of du Nouy are compared and studied in respect of a common principle of correction. It is shown that these three most important force-based methods allow the determination of the surface tension under static conditions. The force components of the corresponding liquid column below the measuring wire obtained for the straight part of the withdrawal curve up to the transition in its curved part provides exact surface tension values. The experimentally accessible value of the force component describes the physical background of the measured value correction contrary to the approximate equations obtained by mathematical way. Usually the determination of surface tension of liquids is based merely at the vertical plate method on exact equations thermodynamically derived whereas in the case of the frame and ring methods correction factors in approximate equations are used. At usual application of the force-based methods under the non-static condition of the withdrawal of a liquid column, the force maximum measured at withdrawal of the measuring object (plate, frame, or ring) is the basis for the determination of surface tension. In these cases, the measured surface tension values are compensated by correction equations for the frame and ring methods which are based on an correction factor and correction tables empirically obtained. The surface tension values obtained in this usual way agree with those obtained by using the force component of the corresponding liquid column below the measuring wire for the straight part of the withdrawal curve up to the transition in its curved part. Problems arising at the force measurements with increasing thickness of the measuring wires inside and outside the rings are discussed.
The layer-by-layer assembly (LBL) of polyelectrolytes has been extensively studied for the preparation of ultrathin films due to the versatility of the build-up process. The control of the permeability of these layers is particularly important as there are potential drug delivery applications. Multilayered polyelectrolyte microcapsules are also of great interest due to their possible use as microcontainers. This work will present two methods that can be used as employable drug delivery systems, both of which can encapsulate an active molecule and tune the release properties of the active species. Poly-(N-isopropyl acrylamide), (PNIPAM) is known to be a thermo-sensitive polymer that has a Lower Critical Solution Temperature (LCST) around 32oC; above this temperature PNIPAM is insoluble in water and collapses. It is also known that with the addition of salt, the LCST decreases. This work shows Differential Scanning Calorimetry (DSC) and Confocal Laser Scanning Microscopy (CLSM) evidence that the LCST of the PNIPAM can be tuned with salt type and concentration. Microcapsules were used to encapsulate this thermo-sensitive polymer, resulting in a reversible and tunable stimuli- responsive system. The encapsulation of the PNIPAM inside of the capsule was proven with Raman spectroscopy, DSC (bulk LCST measurements), AFM (thickness change), SEM (morphology change) and CLSM (in situ LCST measurement inside of the capsules). The exploitation of the capsules as a microcontainer is advantageous not only because of the protection the capsules give to the active molecules, but also because it facilitates easier transport. The second system investigated demonstrates the ability to reduce the permeability of polyelectrolyte multilayer films by the addition of charged wax particles. The incorporation of this hydrophobic coating leads to a reduced water sensitivity particularly after heating, which melts the wax, forming a barrier layer. This conclusion was proven with Neutron Reflectivity by showing the decreased presence of D2O in planar polyelectrolyte films after annealing creating a barrier layer. The permeability of capsules could also be decreased by the addition of a wax layer. This was proved by the increase in recovery time measured by Florescence Recovery After Photobleaching, (FRAP) measurements. In general two advanced methods, potentially suitable for drug delivery systems, have been proposed. In both cases, if biocompatible elements are used to fabricate the capsule wall, these systems provide a stable method of encapsulating active molecules. Stable encapsulation coupled with the ability to tune the wall thickness gives the ability to control the release profile of the molecule of interest.
The velocity distribution function of granular gases in the homogeneous cooling state as well as some heated granular gases decays for large velocities as f proportional to exp(-const x nu). That is, its high-energy tail is overpopulated as compared with the Maxwell distribution. At the present time, there is no theory to describe the influence of the tail on the kinetic characteristics of granular gases. We develop an approach to quantify the overpopulated tail and analyze its impact on granular gas properties, in particular on the cooling coefficient. We observe and explain anomalously slow relaxation of the velocity distribution function to its steady state.
We present experimental results showing the diffuse reflection of a Bose Einstein condensate from a rough mirror, consisting of a dielectric substrate supporting a blue-detuned evanescent wave. The scattering is anisotropic, more pronounced in the direction of the surface propagation of the evanescent wave. These results agree very well with theoretical predictions.
We demonstrate that a multiple delayed feedback is a powerful tool to control coherence properties of autonomous self-sustained oscillators. We derive the equation for the phase dynamics in presence of noise and delay, and analyze it analytically. In Gaussian approximation a closed set of equations for the frequency and the diffusion constant is obtained. Solutions of these equations are in good agreement with direct numerical simulations.
Archival X-ray spectra of the four prominent single, non-magnetic O stars zeta Pup, zeta Ori, xi Per and zeta Oph, obtained in high resolution with Chandra HETGS/MEG have been studied. The resolved X-ray emission line profiles provide information about the shocked, hot gas which emits the X-radiation, and about the bulk of comparably cool stellar wind material which partly absorbs this radiation. In this paper, we synthesize X-ray line profiles with a model of a clumpy stellar wind. We find that the geometrical shape of the wind inhomogeneities is important: better agreement with the observations can be achieved with radially compressed clumps than with spherical clumps. The parameters of the model, i.e. chemical abundances, stellar radius, mass-loss rate and terminal wind velocity, are taken from existing analyses of UV and optical spectra of the programme stars. On this basis, we also calculate the continuum-absorption coefficient of the cool-wind material, using the Potsdam Wolf-Rayet (POWR) model atmosphere code. The radial location of X-ray emitting gas is restricted from analysing the FIR line ratios of helium-like ions. The only remaining free parameter of our model is the typical distance between the clumps; here, we assume that at any point in the wind there is one clump passing by per one dynamical time-scale of the wind. The total emission in a model line is scaled to the observation. There is a good agreement between synthetic and observed line profiles. We conclude that the X-ray emission line profiles in O stars can be explained by hot plasma embedded in a cool wind which is highly clumped in the form of radially compressed shell fragments.
This thesis studies strong, completely charged polyelectrolyte brushes. Extensive molecular dynamics simulations are performed on different polyelectrolyte brush systems using local compute servers and massively parallel supercomputers. The full Coulomb interaction of charged monomers, counterions, and salt ions is treated explicitly. The polymer chains are anchored by one of their ends to a uncharged planar surface. The chains are treated under good solvent conditions. Monovalent salt ions (1:1 type) are modelled same as counterions. The studies concentrate on three different brush systems at constant temperature and moderate Coulomb interaction strength (Bjerrum length equal to bond length): The first system consists of a single polyelectrolyte brush anchored with varying grafting density to a plane. Results show that chains are extended up to about 2/3 of their contour length. The brush thickness slightly grows with increasing anchoring density. This slight dependence of the brush height on grafting density is in contrast to the well known scaling result for the osmotic brush regime. That is why the result obtained by simulations has stimulated further development of theory as well as new experimental investigations on polyelectrolyte brushes. This observation can be understood on a semi-quantitative level using a simple scaling model that incorporates excluded volume effects in a free-volume formulation where an effective cross section is assigned to the polymer chain from where couterions are excluded. The resulting regime is called nonlinear osmotic brush regime. Recently this regime was also obtained in experiments. The second system studied consists of polyelectrolyte brushes with added salt in the nonlinear osmotic regime. Varying salt is an important parameter to tune the structure and properties of polyelectrolytes. Further motivation is due to a theoretical scaling prediction by Pincus for the salt dependence of brush thickness. In the high salt limit (salt concentration much larger than counterion concentration) the brush height is predicted to decrease with increasing external salt, but with a relatively weak power law showing an exponent -1/3. There is some experimental and theoretical work that confirms this prediction, but there are other results that are in contradiction. In such a situation simulations are performed to validate the theoretical prediction. The simulation result shows that brush thickness decreases with added salt, and indeed is in quite good agreement with the scaling prediction by Pincus. The relation between buffer concentration and the effective ion strength inside the brush at varying salt concentration is of interest both from theoretical as well as experimental point of view. The simulation result shows that mobile ions (counterions as well as salt) distribute nonhomogeneously inside and outside of the brush. To explain the relation between the internal ion concentration with the buffer concentration a Donnan equilibrium approach is employed. Modifying the Donnan approach by taking into account the self-volume of polyelectrolyte chains as indicated above, the simulation result can be explained using the same effective cross section for the polymer chains. The extended Donnan equilibrium relation represents a interesting theoretical prediction that should be checked by experimental data. The third system consist of two interacting polyelectrolyte brushes that are grafted to two parallel surfaces. The interactions between brushes are important, for instance, in stabilization of dispersions against flocculation. In the simulations pressure is evaluated as a function of separation D between the two grafting planes. The pressure behavior shows different regimes for decreasing separation. This behavior is in qualitative agreement with experimental data. At relatively weak compression the pressure behavior obtained in the simulation agrees with a 1/D power law predicted by scaling theory. Beyond that the present study could supply new insight for understanding the interaction between polyelectrolyte brushes.
We investigate the effects of a time-delayed all-to-all coupling scheme in a large population of oscillators with natural frequencies following a bimodal distribution. The regions of parameter space corresponding to synchronized and incoherent solutions are obtained both numerically and analytically for particular frequency distributions. In particular, we find that bimodality introduces a new time scale that results in a quasiperiodic disposition of the regions of incoherence.