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The polarization signatures of blazar emissions are known to be highly variable. In addition to small fluctuations of the polarization angle around a mean value, large (greater than or similar to 180 degrees) polarization angle swings are sometimes observed. We suggest that such phenomena can be interpreted as arising from light travel time effects within an underlying axisymmetric emission region. We present the first simultaneous fitting of the multi-wavelength spectrum, variability, and time-dependent polarization features of a correlated optical and gamma-ray flaring event of the prominent blazar 3C279, which was accompanied by a drastic change in its polarization signatures. This unprecedented combination of spectral, variability, and polarization information in a coherent physical model allows us to place stringent constraints on the particle acceleration and magnetic field topology in the relativistic jet of a blazar, strongly favoring a scenario in which magnetic energy dissipation is the primary driver of the flare event.
The electrophoretic deposition process was used to produce multi-layered ceramics consisting of alternating layers of fully stabilized cubic zirconia and partially stabilized tetragonal zirconia to make use of their different mechanical behaviour, investigating the possibility to deflect advancing cracks at the interfaces of the different layers. This crack deflection is apparently impacted by a toughening mechanism only found in the tetragonal stabilized zirconia polymorph and is characterized by the stress induced transformation of the metastable tetragonal phase into the monoclinic one, which is accompanied by a volume increase resulting in a closing mechanism for advancing cracks.
While improving the electrophoretic deposition process, we investigated the transformation toughening mechanism at the layer interfaces and their effect on crack propagation. Investigations involved a combination of different imaging methods, including light microscopy, white light interferometry, atomic force microscopy, scanning electron microscopy, energy dispersive X-ray spectroscopy and Raman spectroscopy.
We propose a fibre-based approach for generation of optical frequency combs (OFCs) with the aim of calibration of astronomical spectrographs in the low and medium-resolution range. This approach includes two steps: in the first step, an appropriate state of optical pulses is generated and subsequently moulded in the second step delivering the desired OFC. More precisely, the first step is realised by injection of two continuous-wave (CW) lasers into a conventional single-mode fibre, whereas the second step generates a broad OFC by using the optical solitons generated in step one as initial condition. We investigate the conversion of a bichromatic input wave produced by two initial CW lasers into a train of optical solitons, which happens in the fibre used as step one. Especially, we are interested in the soliton content of the pulses created in this fibre. For that, we study different initial conditions (a single cosine-hump, an Akhmediev breather, and a deeply modulated bichromatic wave) by means of soliton radiation beat analysis and compare the results to draw conclusion about the soliton content of the state generated in the first step. In case of a deeply modulated bichromatic wave, we observed the formation of a collective soliton crystal for low input powers and the appearance of separated solitons for high input powers. An intermediate state showing the features of both, the soliton crystal and the separated solitons, turned out to be most suitable for the generation of OFC for the purpose of calibration of astronomical spectrographs.
We investigate the generation of optical frequency combs through a cascade of four-wave mixing processes in nonlinear fibres with optimised parameters. The initial optical field consists of two continuous-wave lasers with frequency separation larger than 40 GHz (312.7 pm at 1531 nm). It propagates through three nonlinear fibres. The first fibre serves to pulse shape the initial sinusoidal-square pulse, while a strong pulse compression down to sub-100 fs takes place in the second fibre which is an amplifying erbium-doped fibre. The last stage is a low-dispersion highly nonlinear fibre where the frequency comb bandwidth is increased and the line intensity is equalised. We model this system using the generalised nonlinear Schrodinger equation and investigate it in terms of fibre lengths, fibre dispersion, laser frequency separation and input powers with the aim to minimise the frequency comb noise. With the support of the numerical results, a frequency comb is experimentally generated, first in the near infra-red and then it is frequency-doubled into the visible spectral range. Using a MUSE-type spectrograph, we evaluate the comb performance for astronomical wavelength calibration in terms of equidistancy of the comb lines and their stability.
X-ray spectroscopy is a powerful tool to study the local charge distribution of chemical systems. Together with the liquid jet it becomes possible to probe chemical systems in their natural environment, the liquid phase. In this work, we present X-ray absorption (XA), X-ray emission (XE) and resonant inelastic X-ray scattering (RIXS) data of pure water and various salt solutions and show the possibilities these methods offer to elucidate the nature of ion-water interaction.
Here, we report on two photosensitive amorphous polymers showing opposite behavior upon exposure to illumination. The first polymer (PAZO) consists of linear backbone to which azobenzene-containing side chains are covalently attached, while in the second polymer (azo-PEI), the azobenzene side chains are attached ionically to a polyelectrolyte backbone. When irradiated through a mask, the PAZO goes away from the intensity maxima, leaving behind topography trenches, while the direction of the mass transport of the azo-PEI polymer points towards the intensity maxima. This kind of behavior has been reported only for certain liquid crystalline polymers that exhibit in-phase reaction on illumination, that is, topography maxima coincides with the intensity maxima. Furthermore, flat nanocrystals placed on top of azo-PEI film was found to be moved together with the mass transport of the underlying polymer film as visualized using in situ atomic force microscopy (AFM) measurements. It was also demonstrated that the two polymer films respond differently on irradiation with the polarization and intensity interference patterns (IPs). To record the kinetic of the surface relief grating formation within two polymers during irradiation with different IPs, we utilized a homemade setup combining the optical part for the generation of IP and AFM. A possible mechanism explaining different responses on the irradiation of amorphous polymers is discussed in the frame of a theoretical model proposed by Saphiannikova et al. (J. Phys. Chem. B 113, 5032-5045 (2009)).
Here, a new method for enhancing the photoelectrochemical properties of carbon nitride thin films by in situ supramolecular-driven preorganization of phenyl-contained monomers in molten sulfur is reported. A detailed analysis of the chemical and photophysical properties suggests that the molten sulfur can texture the growth and induce more effective integration of phenyl groups into the carbon nitride electrodes, resulting in extended light absorption alongside with improved conductivity and better charge transfer. Furthermore, photophysical measurements indicate the formation of sub-bands in the optical bandgap which is beneficial for exciton splitting. Moreover, the new bands can mediate hole transfer to the electrolyte, thus improving the photooxidation activity. The utilization of high temperature solvent as the polymerization medium opens new opportunities for the significant improvement of carbon nitride films toward an efficient photoactive material for various applications.
We show that coadsorbed oxygen atoms have a dramatic influence on the CO desorption dynamics from Ru(0001). In contrast to the precursor-mediated desorption mechanism on Ru(0001), the presence of surface oxygen modifies the electronic structure of Ru atoms such that CO desorption occurs predominantly via the direct pathway. This phenomenon is directly observed in an ultrafast pump-probe experiment using a soft x-ray free-electron laser to monitor the dynamic evolution of the valence electronic structure of the surface species. This is supported with the potential of mean force along the CO desorption path obtained from density-functional theory calculations. Charge density distribution and frozen-orbital analysis suggest that the oxygen-induced reduction of the Pauli repulsion, and consequent increase of the dative interaction between the CO 5 sigma and the charged Ru atom, is the electronic origin of the distinct desorption dynamics. Ab initio molecular dynamics simulations of CO desorption from Ru(0001) and oxygen-coadsorbed Ru(0001) provide further insights into the surface bond-breaking process.
This work elucidates the impact of charge transport on the photovoltaic properties of organic solar cells. Here we show that the analysis of current-voltage curves of organic solar cells under illumination with the Shockley equation results in values for ideality factor, photo-current and parallel resistance, which lack physical meaning. Drift-diffusion simulations for a wide range of charge-carrier mobilities and illumination intensities reveal significant carrier accumulation caused by poor transport properties, which is not included in the Shockley equation. As a consequence, the separation of the quasi Fermi levels in the organic photoactive layer (internal voltage) differs substantially from the external voltage for almost all conditions. We present a new analytical model, which considers carrier transport explicitly. The model shows excellent agreement with full drift-diffusion simulations over a wide range of mobilities and illumination intensities, making it suitable for realistic efficiency predictions for organic solar cells.
Small- and large-scale characterization and mixing properties in a thermally driven thin liquid film
(2015)
We study aqueous, freestanding, thin films stabilized by a surfactant with respect to mixing and dynamical systems properties. With this special setup, a two-dimensional fluid can be realized experimentally. The physics of the system involves a complex interplay of thermal convection and interface and gravitational forces. Methodologically, we characterize the system using two classical dynamical systems properties: Lyapunov exponents and entropies. Our experimental setup produces convection with two stable eddies by applying a temperature gradient in one spot that yields weakly turbulent mixing. From dynamical systems theory, one expects a relation of entropies, Lyapunov exponents, a prediction with little experimental support. We can confirm the corresponding statements experimentally, on different scales using different methods. On the small scale the motion and deformation of fluid filaments of equal size (color imaging velocimetry) are used to compute Lyapunov exponents. On the large scale, entropy is computed by tracking the left-right motion of the center fluid jet at the separatrix between the two convection rolls. We thus combine here dynamical systems methods with a concrete application of mixing in a nanoscale freestanding thin film.
Transition-metal complexes have long attracted interest for fundamental chemical reactivity studies and possible use in solar energy conversion(1,2). Electronic excitation, ligand loss from the metal centre, or a combination of both, creates changes in charge and spin density at the metal site(3-11) that need to be controlled to optimize complexes for photocatalytic hydrogen production(8) and selective carbon-hydrogen bond activation(9-11). An understanding at the molecular level of how transition-metal complexes catalyse reactions, and in particular of the role of the short-lived and reactive intermediate states involved, will be critical for such optimization. However, suitable methods for detailed characterization of electronic excited states have been lacking. Here we show, with the use of X-ray laser-based femtosecond-resolution spectroscopy and advanced quantum chemical theory to probe the reaction dynamics of the benchmark transition-metal complex Fe(CO)(5) in solution, that the photo-induced removal of CO generates the 16-electron Fe(CO)(4) species, a homogeneous catalyst(12,13) with an electron deficiency at the Fe centre(14,15), in a hitherto unreported excited singlet state that either converts to the triplet ground state or combines with a CO or solvent molecule to regenerate a penta-coordinated Fe species on a sub-picosecond timescale. This finding, which resolves the debate about the relative importance of different spin channels in the photochemistry of Fe(CO)(5) (refs 4, 16-20), was made possible by the ability of femtosecond X-ray spectroscopy to probe frontier-orbital interactions with atom specificity. We expect the method to be broadly applicable in the chemical sciences, and to complement approaches that probe structural dynamics in ultrafast processes.
Regional and sectoral disaggregation of multi-regional input-output tables - a flexible algorithm
(2015)
A common shortcoming of available multi-regional input-output (MRIO) data sets is their lack of regional and sectoral detail required for many research questions (e.g. in the field of disaster impact analysis). We present a simple algorithm to refine MRIO tables regionally and/or sectorally. By the use of proxy data, each MRIO flow in question is disaggregated into the corresponding sub-flows. This downscaling procedure is complemented by an adjustment rule ensuring that the sub-flows match the superordinate flow in sum. The approximation improves along several iteration steps. The algorithm unfolds its strength through the flexible combination of multiple, possibly incomplete proxy data sources. It is also flexible in a sense that any target sector and region resolution can be chosen. As an exemplary case we apply the algorithm to a regional and sectoral refinement of the Eora MRIO database.
We present a new integral field spectroscopic dataset of the central part of the Orion Nebula (M 42), observed with the MUSE instrument at the ESO VLT. We reduced the data with the public MUSE pipeline. The output products are two FITS cubes with a spatial size of similar to 5'9 x 4'9 (corresponding to similar to 0.76 x 0.63 pc(2)) and a contiguous wavelength coverage of 4595 ... 9366 angstrom, spatially sampled at 0 ''.2. We provide two versions with a sampling of 1.25 angstrom and 0.85 angstrom in dispersion direction. Together with variance cubes these files have a size of 75 and 110 GiB on disk. They are the largest integral field mosaics to date in terms of information content. We make them available for use in the community. To validate this dataset, we compare world coordinates, reconstructed magnitudes, velocities, and absolute and relative emission line fluxes to the literature values and find excellent agreement. We derive a 2D map of extinction and present de-reddened flux maps of several individual emission lines and of diagnostic line ratios. We estimate physical properties of the Orion Nebula, using the emission line ratios [N II] and [S III] (for the electron temperature T-e) and [S II] and [Cl III] (for the electron density N-e), and show 2D images of the velocity measured from several bright emission lines.
This paper reports a new way to produce a rotation motion actuated by dielectric elastomer actuators. Two specific electrode designs have been developed and the rotation of the actuator centers has been demonstrated and measured. At low strains, the rotation shows a nearly quadratic dependence with the voltage. This behavior was used to compare the performances between the two proposed designs. Among the tested configurations, a maximal rotation of 10 degrees was achieved.
We analyze star-type networks of phase oscillators by virtue of two methods. For identical oscillators we adopt the Watanabe-Strogatz approach, which gives full analytical description of states, rotating with constant frequency. For nonidentical oscillators, such states can be obtained by virtue of the self-consistent approach in a parametric form. In this case stability analysis cannot be performed, however with the help of direct numerical simulations we show which solutions are stable and which not. We consider this system as a model for a drum orchestra, where we assume that the drummers follow the signal of the leader without listening to each other and the coupling parameters are determined by a geometrical organization of the orchestra. (C) 2015 AIP Publishing LLC.
We describe synchronization transitions in an ensemble of globally coupled phase oscillators with a bi-harmonic coupling function, and two sources of disorder-diversity of the intrinsic oscillators' frequencies, and external independent noise forces. Based on the self-consistent formulation, we derive analytic solutions for different synchronous states. We report on various non-trivial transitions from incoherence to synchrony, with the following possible scenarios: simple supercritical transition (similar to classical Kuramoto model); subcritical transition with large area of bistability of incoherent and synchronous solutions; appearance of a symmetric two-cluster solution which can coexist with the regular synchronous state. We show that the interplay between relatively small white noise and finite-size fluctuations can lead to metastability of the asynchronous solution.
We present an analysis of a 78 ks Chandra high-energy transmission gratings observation of the B0I star QV Nor, the massive donor of the wind-accreting pulsar 4U1538-52. The neutron star (NS) orbits its companion in a very close orbit (r < 1.4R(*), in units of the stellar radii), thereby allowing probing of the innermost wind regions. The flux of the Fe K alpha line during eclipse reduces to only similar to 30% of the flux measured out of eclipse. This indicates that the majority of Fe fluorescence must be produced in regions close to the NS, at distances smaller than 1R(*) from its surface. The fact that the flux of the continuum decreases to only similar to 3% during eclipse allows for a high contrast of the Fe Ka line fluorescence during eclipse. The line is not resolved and centered at lambda = 1.9368(-0.0018)(+0.0032) angstrom. From the inferred plasma speed limit of v < c Delta lambda/lambda < 800 km s(-1) and range of ionization parameters of log xi =[-1, 2], together with the stellar density profile, we constrain the location of the cold, dense material in the stellar wind of QV Nor using simple geometrical considerations. We then use the Fe K alpha line fluorescence as a tracer of wind clumps and determine that these clumps in the stellar wind of QV Nor (B0I) must already be present at radii r < 1.25R(*), close to the photosphere of the star.
We present new grids of Potsdam Wolf-Rayet (PoWR) model atmospheres for Wolf-Rayet stars of the nitrogen sequence (WN stars). The models have been calculated with the latest version of the PoWR stellar atmosphere code for spherical stellar winds. The WN model atmospheres include the non-LTE solutions of the statistical equations for complex model atoms, as well as the radiative transfer equation in the co-moving frame. Iron-line blanketing is treated with the help of the superlevel approach, while wind inhomogeneities are taken into account via optically thin clumps. Three of our model grids are appropriate for Galactic metallicity. The hydrogen mass fraction of these grids is 50%, 20%, and 0%, thus also covering the hydrogen-rich late-type WR stars that have been discovered in recent years. Three grids are adequate for LMC WN stars and have hydrogen fractions of 40%, 20%, and 0%. Recently, additional grids with SMC metallicity and with 60%, 40%, 20%, and 0% hydrogen have been added. We provide contour plots of the equivalent widths of spectral lines that are usually used for classification and diagnostics.
We present the XMM-Newton discovery of X-ray emission from the planetary nebula (PN) A78, the second born-again PN detected in X-rays apart from A30. These two PNe share similar spectral and morphological characteristics: they harbor diffuse soft X-ray emission associated with the interaction between the H-poor ejecta and the current fast stellar wind and a point-like source at the position of the central star (CSPN). We present the spectral analysis of the CSPN, using for the first time an NLTE code for expanding atmospheres that takes line blanketing into account for the UV and optical spectra. The wind abundances are used for the X-ray spectral analysis of the CSPN and the diffuse emission. The X-ray emission from the CSPN in A78 can be modeled by a single C VI emission line, while the X-ray emission from its diffuse component is better described by an optically thin plasma emission model with a temperature of kT = 0.088 keV (T approximate to 1.0 x 10(6) K). We estimate X-ray luminosities in the 0.2-2.0 keV energy band of L-X,L-CSPN =(1.2 +/- 0.3) x 10(31) erg s(-1) and L-X,L-DIFF =(9.2 +/- 2.3) x 10(30) erg s(-1) for the CSPN and diffuse components, respectively.
We report on the experimental and theoretical investigation of a considerable increase in the rate for thermal cis -> trans isomerization of azobenzene-containing molecules in the presence of gold nanopartides. Experimentally, by means of UV vis spectroscopy, we studied a series of azobenzene-containing surfactants and 4-nitroazobenzene. We found that in the presence of gold,nanoparticles the thermal lifetime of the cis isomer of the azobenzenecontaining molecules was decreased by up to 3 orders of magnitude in comparison to the lifetime in solution without nanoparticles. The electron transfer between azobenzene-containing molecules and a surface of gold nanopartides is a possible reason to promote the thermal cis trans switching. To investigate the effect of electron attachment to, and withdrawal from, the azobenzene-containing molecules on the isomerization rate, we performed density functional theory calculations of activation energy barriers of the reaction together with Eyring's transition state theory calculations of the rates for azobenzene derivatives with donor and acceptor groups in para position of one of the phenyl rings, as well as for one of the azobenzene-containing surfactants. We found that activation barriers are greatly lowered for azobenzene-containing molecules, both upon electron attachment and withdrawal, which leads, in turn, to a dramatic increase in the thermal isomerization rate.
We used microfluidic tools and high-speed time-lapse microscopy to record trajectories of the soil bacterium Pseudomonas putida in a confined environment with cells swimming in close proximity to a glass-liquid interface. While the general swimming pattern is preserved, when compared to swimming in the bulk fluid, our results show that cells in the presence of two solid boundaries display more frequent reversals in swimming direction and swim faster. Additionally, we observe that run segments are no longer straight and that cells swim on circular trajectories, which can be attributed to the hydrodynamic wall effect. Using the experimentally observed parameters together with a recently presented analytic model for a run-reverse random walker, we obtained additional insight on how the spreading behavior of a cell population is affected under confinement. While on short time scales, the mean square displacement of confined swimmers grows faster as compared to the bulk fluid case, our model predicts that for large times the situation reverses due to the strong increase in effective rotational diffusion.
Anthropogenic carbon emissions lock in long-term sea-level rise that greatly exceeds projections for this century, posing profound challenges for coastal development and cultural legacies. Analysis based on previously published relationships linking emissions to warming and warming to rise indicates that unabated carbon emissions up to the year 2100 would commit an eventual global sea-level rise of 4.3-9.9 m. Based on detailed topographic and population data, local high tide lines, and regional long-term sea-level commitment for different carbon emissions and ice sheet stability scenarios, we compute the current population living on endangered land at municipal, state, and national levels within the United States. For unabated climate change, we find that land that is home to more than 20 million people is implicated and is widely distributed among different states and coasts. The total area includes 1,185-1,825 municipalities where land that is home to more than half of the current population would be affected, among them at least 21 cities exceeding 100,000 residents. Under aggressive carbon cuts, more than half of these municipalities would avoid this commitment if the West Antarctic Ice Sheet remains stable. Similarly, more than half of the US population-weighted area under threat could be spared. We provide lists of implicated cities and state populations for different emissions scenarios and with and without a certain collapse of the West Antarctic Ice Sheet. Although past anthropogenic emissions already have caused sea-level commitment that will force coastal cities to adapt, future emissions will determine which areas we can continue to occupy or may have to abandon.
Measurement of through-thickness thermal diffusivity of thermoplastics using thermal wave method
(2015)
Thermo-physical properties, such as thermal conductivity, thermal diffusivity and specific heat are important quantities that are needed to interpret and characterize thermoplastic materials. Such characterization is necessary for many applications, ranging from aerospace engineering to food packaging, electrical and electronic industry and medical science. In this work, the thermal diffusivity of commercially available polymeric films is measured in the thickness direction at room temperature using thermal wave method. The results obtained with this method are in good agreement with theoretical and experimental values.
We present the results of a broadband X-ray study of the enigmatic Be star Gamma Cassiopeiae (herein gamma Cas) based on observations made with both the Suzaku and INTEGRAL observatories.. Cas has long been recognized as the prototypical example of a small subclass of Be stars with moderately strong X-ray emission dominated by a hot thermal component in the 0.5-12 keV energy range (L-x approximate to 10(32)-10(33) erg s(-1)). This places them at the high end of the known luminosity distribution for stellar emission, but several orders of magnitude below typical accretion-powered Be X-ray binaries. The INTEGRAL observations spanned an eight-year baseline and represent the deepest measurement to date at energies above similar to 50 keV. We find that the INTEGRAL data are consistent within statistics to a constant intensity source above 20 keV, with emission extending up to similar to 100 keV, and that searches for all of the previously reported periodicities of the system at lower energies led to null results. We further find that our combined Suzaku and INTEGRAL spectrum, which we suggest is the most accurate broadband X-ray measurement of gamma Cas to date, is fitted extremely well with a thermal plasma emission model with a single absorption component. We found no compelling need for an additional non-thermal high-energy component. We discuss these results in the context of a currently favored models for gamma Cas and its analogs.
We examine by extensive computer simulations the self-diffusion of anisotropic star-like particles in crowded two-dimensional solutions. We investigate the implications of the area coverage fraction phi of the crowders and the crowder-crowder adhesion properties on the regime of transient anomalous diffusion. We systematically compute the mean squared displacement (MSD) of the particles, their time averaged MSD, and the effective diffusion coefficient. The diffusion is ergodic in the limit of long traces, such that the mean time averaged MSD converges towards the ensemble averaged MSD, and features a small residual amplitude spread of the time averaged MSD from individual trajectories. At intermediate time scales, we quantify the anomalous diffusion in the system. Also, we show that the translational-but not rotational-diffusivity of the particles Dis a nonmonotonic function of the attraction strength between them. Both diffusion coefficients decrease as the power law D(phi) similar to (1 - phi/phi*)(2 ... 2.4) with the area fraction phi occupied by the crowders and the critical value phi*. Our results might be applicable to rationalising the experimental observations of non-Brownian diffusion for a number of standard macromolecular crowders used in vitro to mimic the cytoplasmic conditions of living cells.
The looping of polymers such as DNA is a fundamental process in the molecular biology of living cells, whose interior is characterised by a high degree of molecular crowding. We here investigate in detail the looping dynamics of flexible polymer chains in the presence of different degrees of crowding. From the analysis of the looping-unlooping rates and the looping probabilities of the chain ends we show that the presence of small crowders typically slows down the chain dynamics but larger crowders may in fact facilitate the looping. We rationalise these non-trivial and often counterintuitive effects of the crowder size on the looping kinetics in terms of an effective solution viscosity and standard excluded volume. It is shown that for small crowders the effect of an increased viscosity dominates, while for big crowders we argue that confinement effects (caging) prevail. The tradeoff between both trends can thus result in the impediment or facilitation of polymer looping, depending on the crowder size. We also examine how the crowding volume fraction, chain length, and the attraction strength of the contact groups of the polymer chain affect the looping kinetics and hairpin formation dynamics. Our results are relevant for DNA looping in the absence and presence of protein mediation, DNA hairpin formation, RNA folding, and the folding of polypeptide chains under biologically relevant high-crowding conditions.
Polymer looping is controlled by macromolecular crowding, spatial confinement, and chain stiffness
(2015)
We study by extensive computer simulations the looping characteristics of linear polymers with varying persistence length inside a spherical cavity in the presence of macromolecular crowding. For stiff chains, the looping probability and looping time reveal wildly oscillating patterns as functions of the chain length. The effects of crowding differ dramatically for flexible versus stiff polymers. While for flexible chains the looping kinetics is slowed down by the crowders, for stiffer chains the kinetics turns out to be either decreased or facilitated, depending on the polymer length. For severe confinement, the looping kinetics may become strongly facilitated by crowding. Our findings are of broad impact for DNA looping in the crowded and compartmentalized interior of living biological cells.
We study the dynamics of polymer chains in a bath of self-propelled particles (SPP) by extensive Langevin dynamics simulations in a two-dimensional model system. Specifically, we analyse the polymer looping properties versus the SPP activity and investigate how the presence of the active particles alters the chain conformational statistics. We find that SPPs tend to extend flexible polymer chains, while they rather compactify stiffer semiflexible polymers, in agreement with previous results. Here we show that higher activities of SPPs yield a higher effective temperature of the bath and thus facilitate the looping kinetics of a passive polymer chain. We explicitly compute the looping probability and looping time in a wide range of the model parameters. We also analyse the motion of a monomeric tracer particle and the polymer's centre of mass in the presence of the active particles in terms of the time averaged mean squared displacement, revealing a giant diffusivity enhancement for the polymer chain via SPP pooling. Our results are applicable to rationalising the dimensions and looping kinetics of biopolymers at constantly fluctuating and often actively driven conditions inside biological cells or in suspensions of active colloidal particles or bacteria cells.
Eclipsing systems of massive stars allow one to explore the properties of their components in great detail. We perform a multi-wavelength, non-LTE analysis of the three components of the massive multiple system delta Ori A, focusing on the fundamental stellar properties, stellar winds, and X-ray characteristics of the system. The primary's distance-independent parameters turn out to be characteristic for its spectral type (O9.5 II), but usage of the Hipparcos parallax yields surprisingly low values for the mass, radius, and luminosity. Consistent values follow only if delta Ori lies at about twice the Hipparcos distance, in the vicinity of the sigma-Orionis cluster. The primary and tertiary dominate the spectrum and leave the secondary only marginally detectable. We estimate the V-band magnitude difference between primary and secondary to be Delta V approximate to 2.(m)8. The inferred parameters suggest that the secondary is an early B-type dwarf (approximate to B1 V), while the tertiary is an early B-type subgiant (approximate to B0 IV). We find evidence for rapid turbulent velocities (similar to 200 km s(-1)) and wind inhomogeneities, partially optically thick, in the primary's wind. The bulk of the X-ray emission likely emerges from the primary's stellar wind (logL(X)/L-Bol approximate to -6.85), initiating close to the stellar surface at R-0 similar to 1.1 R-*. Accounting for clumping, the mass-loss rate of the primary is found to be log (M) over dot approximate to -6.4 (M-circle dot yr(-1))., which agrees with hydrodynamic predictions, and provides a consistent picture along the X-ray, UV, optical, and radio spectral domains.
The structure of bulk liquid water was recently probed by x-ray scattering below the temperature limit of homogeneous nucleation (T-H) of similar to 232 K [J. A. Sellberg et al., Nature 510, 381-384 (2014)]. Here, we utilize a similar approach to study the structure of bulk liquid water below T-H using oxygen K-edge x-ray emission spectroscopy (XES). Based on previous XES experiments [T. Tokushima et al., Chem. Phys. Lett. 460, 387-400 (2008)] at higher temperatures, we expected the ratio of the 1b(1)' and 1b(1)" peaks associated with the lone-pair orbital in water to change strongly upon deep supercooling as the coordination of the hydrogen (H-) bonds becomes tetrahedral. In contrast, we observed only minor changes in the lone-pair spectral region, challenging an interpretation in terms of two interconverting species. A number of alternative hypotheses to explain the results are put forward and discussed. Although the spectra can be explained by various contributions from these hypotheses, we here emphasize the interpretation that the line shape of each component changes dramatically when approaching lower temperatures, where, in particular, the peak assigned to the proposed disordered component would become more symmetrical as vibrational interference becomes more important. (C) 2015 AIP Publishing LLC.
We study distributed-order time fractional diffusion equations characterized by multifractal memory kernels, in contrast to the simple power-law kernel of common time fractional diffusion equations. Based on the physical approach to anomalous diffusion provided by the seminal Scher-Montroll-Weiss continuous time random walk, we analyze both natural and modified-form distributed-order time fractional diffusion equations and compare the two approaches. The mean squared displacement is obtained and its limiting behavior analyzed. We derive the connection between the Wiener process, described by the conventional Langevin equation and the dynamics encoded by the distributed-order time fractional diffusion equation in terms of a generalized subordination of time. A detailed analysis of the multifractal properties of distributed-order diffusion equations is provided.
We consider anomalous stochastic processes based on the renewal continuous time random walk model with different forms for the probability density of waiting times between individual jumps. In the corresponding continuum limit we derive the generalized diffusion and Fokker-Planck-Smoluchowski equations with the corresponding memory kernels. We calculate the qth order moments in the unbiased and biased cases, and demonstrate that the generalized Einstein relation for the considered dynamics remains valid. The relaxation of modes in the case of an external harmonic potential and the convergence of the mean squared displacement to the thermal plateau are analyzed.
Context. Spectroscopic analysis remains the most common method to derive masses of massive stars, the most fundamental stellar parameter. While binary orbits and stellar pulsations can provide much sharper constraints on the stellar mass, these methods are only rarely applicable to massive stars. Unfortunately, spectroscopic masses of massive stars heavily depend on the detailed physics of model atmospheres.
Aims. We demonstrate the impact of a consistent treatment of the radiative pressure on inferred gravities and spectroscopic masses of massive stars. Specifically, we investigate the contribution of line and continuum transitions to the photospheric radiative pressure. We further explore the effect of model parameters, e.g., abundances, on the deduced spectroscopic mass. Lastly, we compare our results with the plane-parallel TLUSTY code, commonly used for the analysis of massive stars with photospheric spectra.
Methods. We calculate a small set of O-star models with the Potsdam Wolf-Rayet (PoWR) code using different approaches for the quasi-hydrostatic part. These models allow us to quantify the effect of accounting for the radiative pressure consistently. We further use PoWR models to show how the Doppler widths of line profiles and abundances of elements such as iron affect the radiative pressure, and, as a consequence, the derived spectroscopic masses.
Results. Our study implies that errors on the order of a factor of two in the inferred spectroscopic mass are to be expected when neglecting the contribution of line and continuum transitions to the radiative acceleration in the photosphere. Usage of implausible microturbulent velocities, or the neglect of important opacity sources such as Fe, may result in errors of approximately 50% in the spectroscopic mass. A comparison with TLUSTY model atmospheres reveals a very good agreement with PoWR at the limit of low mass-loss rates.
A capacitive-based soft elastomeric strain sensor was recently developed by the authors for structural health monitoring applications. Arranged in a network configuration, the sensor becomes a sensing skin, where local deformations can be monitored over a global area. The sensor transduces a change in geometry into a measurable change in capacitance, which can be converted into strain using a previously developed electromechanical model. Prior studies have demonstrated limitations of this electromechanical model for dynamic excitations beyond 15 Hz, because of a loss in linearity in the sensor's response. In this paper, the dynamic behavior beyond 15 Hz is further studied, and a new version of the electromechanical model is proposed to accommodate dynamic strain measurements up to 40 Hz. This behavior is characterized by subjecting the sensor to a frequency sweep and identifying possible sources of nonlinearities beyond 15 Hz. Results show possible frequency dependence of the materials' Poisson's ratios, which are successfully modeled and integrated into the electromechanical model. This demonstrates that the proposed sensor can be used for monitoring and evaluation of structural responses up to 40 Hz, a range covering the vast majority of the dominating frequency responses of civil infrastructures.
We examine the non-ergodic properties of scaled Brownian motion (SBM), a non-stationary stochastic process with a time dependent diffusivity of the form D(t) similar or equal to t(alpha-1). We compute the ergodicity breaking parameter EB in the entire range of scaling exponents a, both analytically and via extensive computer simulations of the stochastic Langevin equation. We demonstrate that in the limit of long trajectory lengths T and short lag times Delta the EB parameter as function of the scaling exponent a has no divergence at alpha - 1/2 and present the asymptotes for EB in different limits. We generalize the analytical and simulations results for the time averaged and ergodic properties of SBM in the presence of ageing, that is, when the observation of the system starts only a finite time span after its initiation. The approach developed here for the calculation of the higher time averaged moments of the particle displacement can be applied to derive the ergodic properties of other stochastic processes such as fractional Brownian motion.
Aging scaled Brownian motion
(2015)
Scaled Brownian motion (SBM) is widely used to model anomalous diffusion of passive tracers in complex and biological systems. It is a highly nonstationary process governed by the Langevin equation for Brownian motion, however, with a power-law time dependence of the noise strength. Here we study the aging properties of SBM for both unconfined and confined motion. Specifically, we derive the ensemble and time averaged mean squared displacements and analyze their behavior in the regimes of weak, intermediate, and strong aging. A very rich behavior is revealed for confined aging SBM depending on different aging times and whether the process is sub- or superdiffusive. We demonstrate that the information on the aging factorizes with respect to the lag time and exhibits a functional form that is identical to the aging behavior of scale-free continuous time random walk processes. While SBM exhibits a disparity between ensemble and time averaged observables and is thus weakly nonergodic, strong aging is shown to effect a convergence of the ensemble and time averaged mean squared displacement. Finally, we derive the density of first passage times in the semi-infinite domain that features a crossover defined by the aging time.
Rydberg-Resolved Resonant Inelastic Soft X-Ray Scattering: Dynamics at Core Ionization Thresholds
(2015)
Resonant inelastic x-ray scattering spectra excited in the immediate vicinity of the core-level ionization thresholds of N-2 have been recorded. Final states of well-resolved symmetry-selected Rydberg series converging to valence-level ionization thresholds with vibrational excitations are observed. The results are well described by a quasi-two-step model which assumes that the excited electron is unaffected by the radiative decay. This threshold dynamics simplifies the interpretation of resonant inelastic x-ray scattering spectra considerably and facilitates characterization of low-energy excited final states in molecular systems.
We analyze quasiperiodic partially synchronous states in an ensemble of Stuart-Landau oscillators with global nonlinear coupling. We reveal two types of such dynamics: in the first case the time-averaged frequencies of oscillators and of the mean field differ, while in the second case they are equal, but the motion of oscillators is additionally modulated. We describe transitions from the synchronous state to both types of quasiperiodic dynamics, and a transition between two different quasiperiodic states. We present an example of a bifurcation diagram, where we show the borderlines for all these transitions, as well as domain of bistability.
Hybrid multijunction solar cells comprising hydrogenated amorphous silicon and an organic bulk heterojunction are presented, reaching 11.7% power conversion efficiency. The benefits of merging inorganic and organic subcells are pointed out, the optimization of the cells, including optical modeling predictions and tuning of the recombination contact are described, and an outlook of this technique is given.
For improving teacher education, there has been an increasing interest in describing teachers' professional competencies and their development in the course of implementing educational programs. The focus of the present project is on modeling and measuring domain-specific and generic competencies that future physics teachers acquire during their university studies. The model comprises characteristics and relationships between physics content knowledge, pedagogical content knowledge, and skills for explaining physics phenomena. Based on the model, assessment instruments were developed and applied as paper-and-pencil-tests and videotaped expert-novice dialogues for measuring the competencies in a large sample of physics student teachers. Trials and validation suggest that our instruments are valid in terms of content and construct validities.
Aims. To explore the origin of high-velocity gas in the direction of the Large Magellanic Cloud, (LMC) we analyze absorption lines in the ultraviolet spectrum of a Galactic halo star that is located in front of the LMC at d = 9.2(-7.2)(+4.1) kpc distance.
Methods. We study the velocity-component structure of low and intermediate metal ions (CII, SiII, SiIII) in the spectrum of RXJ0439.8-6809, as obtained with the Cosmic Origins Spectrograph (COS) onboard the Hubble Space Telescope (HST), and measure equivalent widths and column densities for these ions. We supplement our COS data with a Far-Ultraviolet Spectroscopic Explorer (FUSE) spectrum of the nearby LMC star Sk-69 59 and with Hi 21 cm data from the Leiden-Argentina-Bonn (LAB) survey.
Results. Metal absorption toward RXJ0439.8-6809 is unambiguously detected in three different velocity components near v(LSR) = 0, + 60, and + 150 km s(-1). The presence of absorption proves that all three gas components are situated in front of the star, thus located in the disk and inner halo of the Milky Way. For the high-velocity cloud (HVC) at v(LSR) = + 150 km s(-1), we derive an oxygen abundance of [O/H] = -0.63 (similar to 0.2 solar) from the neighboring Sk-69 59 sight line, in accordance with previous abundance measurements for this HVC. From the observed kinematics we infer that the HVC hardly participates in the Galactic rotation.
Conclusions. Our study shows that the HVC toward the LMC represents a Milky Way halo cloud that traces low column density gas with relatively low metallicity. We rule out scenarios in which the HVC represents material close to the LMC that stems from a LMC outflow.
Acanthamoebae are free-living protists and human pathogens, whose cellular functions and pathogenicity strongly depend on the transport of intracellular vesicles and granules through the cytosol. Using high-speed live cell imaging in combination with single-particle tracking analysis, we show here that the motion of endogenous intracellular particles in the size range from a few hundred nanometers to several micrometers in Acanthamoeba castellanii is strongly superdiffusive and influenced by cell locomotion, cytoskeletal elements, and myosin II. We demonstrate that cell locomotion significantly contributes to intracellular particle motion, but is clearly not the only origin of superdiffusivity. By analyzing the contribution of microtubules, actin, and myosin II motors we show that myosin II is a major driving force of intracellular motion in A. castellanii. The cytoplasm of A. castellanii is supercrowded with intracellular vesicles and granules, such that significant intracellular motion can only be achieved by actively driven motion, while purely thermally driven diffusion is negligible.
Swimming patterns of a polarly flagellated bacterium in environments of increasing complexity
(2015)
The natural habitat of many bacterial swimmers is dominated by interfaces and narrow interstitial spacings where they frequently interact with the fluid boundaries in their vicinity. To quantify these interactions, we investigated the swimming behavior of the soil bacterium Pseudomonas putida in a variety of confined environments. Using microfluidic techniques, we fabricated structured microchannels with different configurations of cylindrical obstacles. In these environments, we analyzed the swimming trajectories for different obstacle densities and arrangements. Although the overall swimming pattern remained similar to movement in the bulk fluid, we observed a change in the turning angle distribution that could be attributed to collisions with the cylindrical obstacles. Furthermore, a comparison of the mean run length of the bacteria to the mean free path of a billiard particle in the same geometry indicated that, inside a densely packed environment, the trajectories of the bacterial swimmers are efficiently guided along the open spacings.
Many chemical reactions in biological cells occur at very low concentrations of constituent molecules. Thus, transcriptional gene-regulation is often controlled by poorly expressed transcription-factors, such as E. coli lac repressor with few tens of copies. Here we study the effects of inherent concentration fluctuations of substrate-molecules on the seminal Michaelis-Menten scheme of biochemical reactions. We present a universal correction to the Michaelis-Menten equation for the reaction-rates. The relevance and validity of this correction for enzymatic reactions and intracellular gene-regulation is demonstrated. Our analytical theory and simulation results confirm that the proposed variance-corrected Michaelis-Menten equation predicts the rate of reactions with remarkable accuracy even in the presence of large non-equilibrium concentration fluctuations. The major advantage of our approach is that it involves only the mean and variance of the substrate-molecule concentration. Our theory is therefore accessible to experiments and not specific to the exact source of the concentration fluctuations.
Many chemical reactions in biological cells occur at very low concentrations of constituent molecules. Thus, transcriptional gene-regulation is often controlled by poorly expressed transcription-factors, such as E.coli lac repressor with few tens of copies. Here we study the effects of inherent concentration fluctuations of substrate-molecules on the seminal Michaelis-Menten scheme of biochemical reactions. We present a universal correction to the Michaelis-Menten equation for the reaction-rates. The relevance and validity of this correction for enzymatic reactions and intracellular gene-regulation is demonstrated. Our analytical theory and simulation results confirm that the proposed variance-corrected Michaelis-Menten equation predicts the rate of reactions with remarkable accuracy even in the presence of large non-equilibrium concentration fluctuations. The major advantage of our approach is that it involves only the mean and variance of the substrate-molecule concentration. Our theory is therefore accessible to experiments and not specific to the exact source of the concentration fluctuations.
While ubiquitous, the making and breaking of hydrogen bonds in solution is notoriously difficult to study due to the associated complex changes of nuclear and electronic structures. With the aim to reduce the according uncertainty in correlating experimental observables and hydrogen-bond configurations, we combine the information from proximate methods to study the N-H center dot center dot center dot O hydrogen bond in solution. We investigate hydrogen-bonding of the N-H group of N-methylaniline with oxygen from liquid DMSO and acetone with infrared spectra in the N-H stretching region and X-ray absorption spectra at the N K-edge. We experimentally observe blue shifts of the infrared stretching band and an X-ray absorption pre-edge peak when going from DMSO to acetone. With ab initio molecular dynamics simulations and calculated spectra, we qualitatively reproduce the experimental observables but we do not reach quantitative agreement with experiment. The infrared spectra support the notion of weakening the N-H center dot center dot center dot O hydrogen bond from DMSO to acetone. However, we fail to theoretically reproduce the measured shift of the X-ray absorption pre-edge peak. We discuss possible shortcomings of the simulation models and spectrum calculations. Common features and distinct differences with the O-H center dot center dot center dot O hydrogen bond are highlighted, and the implications for monitoring hydrogen-bond breaking in solution are discussed.
A quantitative comparison of various classes of oscillators (integrate-and-fire, Winfree, and Kuramoto-Daido type) is performed in the weak-coupling limit for a fully connected network of identical units. An almost perfect agreement is found, with only tiny differences among the models. We also show that the regime of self-consistent partial synchronization is rather general and can be observed for arbitrarily small coupling strength in any model class. As a byproduct of our study, we are able to show that an integrate-and-fire model with a generic pulse shape can be always transformed into a similar model with delta pulses and a suitable phase response curve.