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The interplay between nanomorphology and efficiency of polymer-fullerene bulk-heterojunction (BHJ) solar cells has been the subject of intense research, but the generality of these concepts for small-molecule (SM) BHJs remains unclear. Here, the relation between performance; charge generation, recombination, and extraction dynamics; and nanomorphology achievable with two SM donors benzo[1,2-b:4,5-b]dithiophene-pyrido[3,4-b]-pyrazine BDT(PPTh2)(2), namely SM1 and SM2, differing by their side-chains, are examined as a function of solution additive composition. The results show that the additive 1,8-diiodooctane acts as a plasticizer in the blends, increases domain size, and promotes ordering/crystallinity. Surprisingly, the system with high domain purity (SM1) exhibits both poor exciton harvesting and severe charge trapping, alleviated only slightly with increased crystallinity. In contrast, the system consisting of mixed domains and lower crystallinity (SM2) shows both excellent exciton harvesting and low charge recombination losses. Importantly, the onset of large, pure crystallites in the latter (SM2) system reduces efficiency, pointing to possible differences in the ideal morphologies for SM-based BHJ solar cells compared with polymer-fullerene devices. In polymer-based systems, tie chains between pure polymer crystals establish a continuous charge transport network, whereas SM-based active layers may in some cases require mixed domains that enable both aggregation and charge percolation to the electrodes.
Imaging CF3I conical intersection and photodissociation dynamics with ultrafast electron diffraction
(2018)
Conical intersections play a critical role in excited-state dynamics of polyatomic molecules because they govern the reaction pathways of many nonadiabatic processes. However, ultrafast probes have lacked sufficient spatial resolution to image wave-packet trajectories through these intersections directly. Here, we present the simultaneous experimental characterization of one-photon and two-photon excitation channels in isolated CF3I molecules using ultrafast gas-phase electron diffraction. In the two-photon channel, we have mapped out the real-space trajectories of a coherent nuclear wave packet, which bifurcates onto two potential energy surfaces when passing through a conical intersection. In the one-photon channel, we have resolved excitation of both the umbrella and the breathing vibrational modes in the CF3 fragment in multiple nuclear dimensions. These findings benchmark and validate ab initio nonadiabatic dynamics calculations.
On 2017 September 22, the IceCube Neutrino Observatory reported the detection of the high-energy neutrino event IC 170922A, of potential astrophysical origin. It was soon determined that the neutrino direction was consistent with the location of the gamma-ray blazar TXS 0506+056. (3FGL J0509.4+ 0541), which was in an elevated gamma-ray emission state as measured by the Fermi satellite. Very Energetic Radiation Imaging Telescope Array System (VERITAS) observations of the neutrino/blazar region started on 2017 September 23 in response to the neutrino alert and continued through 2018 February 6. While no significant very-high-energy (VHE; E > 100 GeV) emission was observed from the blazar by VERITAS in the two-week period immediately following the IceCube alert, TXS 0506+ 056 was detected by VERITAS with a significance of 5.8 standard deviations (sigma) in the full 35 hr data set. The average photon flux of the source during this period was (8.9 +/- 1.6). x. 10(-12) cm(-2) s(-1), or 1.6% of the Crab Nebula flux, above an energy threshold of 110 GeV, with a soft spectral index of 4.8. +/-. 1.3.
The He II transverse proximity effect-enhanced He II Ly alpha transmission in a background sightline caused by the ionizing radiation of a foreground quasar-offers a unique opportunity to probe the emission properties of quasars, in particular the emission geometry (obscuration, beaming) and the quasar lifetime. Building on the foreground quasar survey published in Schmidt et al., we present a detailed model of the He II transverse proximity effect, specifically designed to include light travel time effects, finite quasar ages, and quasar obscuration. We postprocess outputs from a cosmological hydrodynamical simulation with a fluctuating He II ultraviolet background model, with the added effect of the radiation from a single bright foreground quasar. We vary the age t(age) and obscured sky fractions Omega(obsc) of the foreground quasar, and explore the resulting effect on the He II transverse proximity effect signal. Fluctuations in intergalactic medium density and the ultraviolet background, as well as the unknown orientation of the foreground quasar, result in a large variance of the He II Ly alpha transmission along the background sightline. We develop a fully Bayesian statistical formalism to compare far-ultraviolet He II Ly alpha transmission spectra of the background quasars to our models, and extract joint constraints on t(age) and Omega(obsc) for the six Schmidt et al. foreground quasars with the highest implied He II photoionization rates. Our analysis suggests a bimodal distribution of quasar emission properties, whereby one foreground quasar, associated with a strong He II transmission spike, is relatively old (22 Myr) and unobscured (Omega(obsc) < 35%), whereas three others are either younger than 10 Myr or highly obscured (Omega(obsc) > 70%).
We present results from deep observations toward the Cygnus region using 300 hr of very high energy (VHE)gamma-ray data taken with the VERITAS Cerenkov telescope array and over 7 yr of high-energy.-ray data taken with the Fermi satellite at an energy above 1 GeV. As the brightest region of diffuse gamma-ray emission in the northern sky, the Cygnus region provides a promising area to probe the origins of cosmic rays. We report the identification of a potential Fermi-LAT counterpart to VER J2031+415 (TeV J2032+4130) and resolve the extended VHE source VER J2019+368 into two source candidates (VER J2018+367* and VER J2020+368*) and characterize their energy spectra. The Fermi-LAT morphology of 3FGL J2021.0+4031e (the Gamma Cygni supernova remnant) was examined, and a region of enhanced emission coincident with VER J2019+407 was identified and jointly fit with the VERITAS data. By modeling 3FGL J2015.6+3709 as two sources, one located at the location of the pulsar wind nebula CTB 87 and one at the quasar QSO J2015+371, a continuous spectrum from 1 GeV to 10 TeV was extracted for VER J2016+371 (CTB 87). An additional 71 locations coincident with Fermi-LAT sources and other potential objects of interest were tested for VHE gamma-ray emission, with no emission detected and upper limits on the differential flux placed at an average of 2.3% of the Crab Nebula flux. We interpret these observations in a multiwavelength context and present the most detailed gamma-ray view of the region to date.
HESS J1943+213
(2018)
HESS J1943+213 is a very high energy (VHE; > 100 GeV) gamma-ray source in the direction of the Galactic plane. Studies exploring the classification of the source are converging toward its identification as an extreme synchrotron BL Lac object. Here we present 38 hr of VERITAS observations of HESS J1943+213 taken over 2 yr. The source is detected with a significance of similar to 20 standard deviations, showing a remarkably stable flux and spectrum in VHE gamma-rays. Multifrequency Very Long Baseline Array (VLBA) observations of the source confirm the extended, jet-like structure previously found in the 1.6 GHz band with the European VLBI Network and detect this component in the 4.6 and 7.3 GHz bands. The radio spectral indices of the core and the jet and the level of polarization derived from the VLBA observations are in a range typical for blazars. Data from VERITAS, Fermi-LAT, Swift-XRT, the FLWO 48 ' telescope, and archival infrared and hard X-ray observations are used to construct and model the spectral energy distribution (SED) of the source with a synchrotron self-Compton model. The well-measured gamma-ray peak of the SED with VERITAS and Fermi-LAT provides constraining upper limits on the source redshift. Possible contribution of secondary gamma-rays from ultra-high-energy cosmic-ray-initiated electromagnetic cascades to the gamma-ray emission is explored, finding that only a segment of the VHE spectrum can be accommodated with this process. A variability search is performed across X-ray and gamma-ray bands. No statistically significant flux or spectral variability is detected.
In this paper, we investigate HNCO by resonant and nonresonant Auger electron spectroscopy at the K-edges of carbon, nitrogen, and oxygen, employing soft X-ray synchrotron radiation. In comparison with the isosteric but linear CO2 molecule, spectra of the bent HNCO molecule are similar but more complex due to its reduced symmetry, wherein the degeneracy of the π-orbitals is lifted. Resonant Auger electron spectra are presented at different photon energies over the first core-excited 1s → 10a′ resonance. All Auger electron spectra are assigned based on ab initio configuration interaction computations combined with the one-center approximation for Auger intensities and moment theory to consider vibrational motion. The calculated spectra were scaled by a newly introduced energy scaling factor, and generally, good agreement is found between experiment and theory for normal as well as resonant Auger electron spectra. A comparison of resonant Auger spectra with nonresonant Auger structures shows a slight broadening as well as a shift of the former spectra between −8 and −9 eV due to the spectating electron. Since HNCO is a small molecule and contains the four most abundant atoms of organic molecules, the reported Auger electron decay spectra will provide a benchmark for further theoretical approaches in the computation of core electron spectra.
We present a new measurement of the energy spectrum of iron nuclei in cosmic rays from 20 TeV to 500 TeV; The measurement makes use of a template-based analysis method, which, for the first time, is applied to the energy reconstruction of iron-induced air showers recorded by the VERITAS array of imaging atmospheric Cherenkov telescopes. The event selection makes use of the direct Cherenkov light which is emitted by charged particles before the first interaction, as well as other parameters related to the shape of the recorded air shower images. The measured spectrum is well described by a power law dF/dE = f(0) center dot (E/E-0)(-gamma) over the full energy range, with gamma = 2.82 +/- 0.30(stat)(-0.27)(+0.24)(syst) and f(0) = (4.82 +/- 0.98(stat)(-2.70)(+2.12)(syst)) x 10(-7) m(-2) s(-1) TeV-1 sr(-1) at E-0 = 50 TeV, with no indication of a cutoff or spectral break. The measured differential flux is compatible with previous results, with improved statistical uncertainty at the highest energies.
We investigated the possibility of minimizing tensile matrix residual stresses in age hardenable aluminum alloy metal matrix composites without detrimentally affect their mechanical properties (such as yield strength). Specifically, we performed thermal treatments at different temperatures and times in an age-hardenable aluminum matrix composite 2014Al-15vol%Al2O3. Using X-ray synchrotron radiation diffraction and mechanical tests, we show that below a certain treatment temperature (250 degrees C) it is possible to identify an appropriate thermal treatment capable of relaxing residual stress in this composite while even increasing its yield strength, with respect to the as processed conditions.
The prototypical photoinduced dissociation of Fe(CO)(5) in the gas phase is used to test time-resolved x-ray photoelectron spectroscopy for studying photochemical reactions. Upon one-photon excitation at 266 nm, Fe(CO)(5) successively dissociates to Fe(CO)(4) and Fe(CO)(3) along a pathway where both fragments retain the singlet multiplicity of Fe(CO)(5). The x-ray free-electron laser FLASH is used to probe the reaction intermediates Fe(CO)(4) and Fe(CO)(3) with time-resolved valence and core-level photoelectron spectroscopy, and experimental results are interpreted with ab initio quantum chemical calculations. Changes in the valence photoelectron spectra are shown to reflect changes in the valenceorbital interactions upon Fe-CO dissociation, thereby validating fundamental theoretical concepts in Fe-CO bonding. Chemical shifts of CO 3 sigma inner-valence and Fe 3 sigma core-level binding energies are shown to correlate with changes in the coordination number of the Fe center. We interpret this with coordination-dependent charge localization and core-hole screening based on calculated changes in electron densities upon core-hole creation in the final ionic states. This extends the established capabilities of steady-state electron spectroscopy for chemical analysis to time-resolved investigations. It could also serve as a benchmark for howcharge and spin density changes in molecular dissociation and excited-state dynamics are expressed in valence and core-level photoelectron spectroscopy. Published by AIP Publishing.
The influence of winter and summer land-sea surface thermal contrast on blocking for 1948-2013 is investigated using observations and the coupled model intercomparison project outputs. The land-sea index (LSI) is defined to measure the changes of zonal asymmetric thermal forcing under global warming. The summer LSI shows a slower increasing trend than winter during this period. For the positive of summer LSI, the EP flux convergence induced by the land-sea thermal forcing in the high latitude becomes weaker than normal, which induces positive anomaly of zonal-mean westerly and double-jet structure. Based on the quasiresonance amplification mechanism, the narrow and reduced westerly tunnel between two jet centers provides a favor environment for more frequent blocking. Composite analysis demonstrates that summer blocking shows an increasing trend of event numbers and a decreasing trend of durations. The numbers of the short-lived blocking persisting for 5-9 days significantly increases and the numbers of the long-lived blocking persisting for longer than 10 days has a weak increase than that in negative phase of summer LSI. The increasing transient wave activities induced by summer LSI is responsible for the decreasing duration of blockings. The increasing blocking due to summer LSI can further strengthen the continent warming and increase the summer LSI, which forms a positive feedback. The opposite dynamical effect of LSI on summer and winter blocking are discussed and found that the LSI-blocking negative feedback partially reduces the influence of the above positive feedback and induce the weak summer warming rate.
We develop an axisymmetric diffusion model to describe radial density profiles in the vicinity of tiny moons embedded in planetary rings. Our diffusion model accounts for the gravitational scattering of the ring particles by an embedded moon and for the viscous diffusion of the ring matter back into the gap. With test particle simulations, we show that the scattering of the ring particles passing the moon is larger for small impact parameters than estimated by Goldreich & Tremaine and Namouni. This is significant for modeling the Keeler gap. We apply our model to the gaps of the moons Pan and Daphnis embedded in the outer A ring of Saturn with the aim to estimate the shear viscosity of the ring in the vicinity of the Encke and Keeler gap. In addition, we analyze whether tiny icy moons whose dimensions lie below Cassini's resolution capabilities would be able to explain the gap structure of the C ring and the Cassini division.
In this paper, we report X-ray absorption and core-level electron spectra of the nucleobase derivative 2-thiouracil at the sulfur L1- and L2,3-edges. We used soft X-rays from the free-electron laser FLASH2 for the excitation of isolated molecules and dispersed the outgoing electrons with a magnetic bottle spectrometer. We identified photoelectrons from the 2p core orbital, accompanied by an electron correlation satellite, as well as resonant and non-resonant Coster–Kronig and Auger–Meitner emission at the L1- and L2,3-edges, respectively. We used the electron yield to construct X-ray absorption spectra at the two edges. The experimental data obtained are put in the context of the literature currently available on sulfur core-level and 2-thiouracil spectroscopy.
The problem of biological motion is a very intriguing and topical issue. Many efforts are being focused on the development of novel modelling approaches for the description of anomalous diffusion in biological systems, such as the very complex and heterogeneous cell environment. Nevertheless, many questions are still open, such as the joint manifestation of statistical features in agreement with different models that can also be somewhat alternative to each other, e.g. continuous time random walk and fractional Brownian motion. To overcome these limitations, we propose a stochastic diffusion model with additive noise and linear friction force (linear Langevin equation), thus involving the explicit modelling of velocity dynamics. The complexity of the medium is parametrized via a population of intensity parameters (relaxation time and diffusivity of velocity), thus introducing an additional randomness, in addition to white noise, in the particle's dynamics. We prove that, for proper distributions of these parameters, we can get both Gaussian anomalous diffusion, fractional diffusion and its generalizations.
Random search with resetting
(2018)
We provide a unified renewal approach to the problem of random search for several targets under resetting. This framework does not rely on specific properties of the search process and resetting procedure, allows for simpler derivation of known results, and leads to new ones. Concentrating on minimizing the mean hitting time, we show that resetting at a constant pace is the best possible option if resetting helps at all, and derive the equation for the optimal resetting pace. No resetting may be a better strategy if without resetting the probability of not finding a target decays with time to zero exponentially or faster. We also calculate splitting probabilities between the targets, and define the limits in which these can be manipulated by changing the resetting procedure. We moreover show that the number of moments of the hitting time distribution under resetting is not less than the sum of the numbers of moments of the resetting time distribution and the hitting time distribution without resetting.
We report on the formation of wrinkle-patterned surface morphologies in cesium formamidinium-based Cs(x)FA(1-y)Pb(I1-yBry)(3) perovskite compositions with x = 0-0.3 and y = 0-0.3 under various spin-coating conditions. By varying the Cs and Br contents, the perovskite precursor solution concentration and the spin-coating procedure, the occurrence and characteristics of the wrinkle-shaped morphology can be tailored systematically. Cs(0.17)FA(0.83)Pb(I0.83Br0.17)(3) perovskite layers were analyzed regarding their surface roughness, microscopic structure, local and overall composition, and optoelectronic properties. Application of these films in p-i-n perovskite solar cells (PSCs) with indium-doped tin oxide/NiOx/perovskite/C-60/bathocuproine/Cu architecture resulted in up to 15.3 and 17.0% power conversion efficiency for the flat and wrinkled morphology, respectively. Interestingly, we find slightly red-shifted photoluminescence (PL) peaks for wrinkled areas and we are able to directly correlate surface topography with PL peak mapping. This is attributed to differences in the local grain size, whereas there is no indication for compositional demixing in the films. We show that the perovskite composition, crystallization kinetics, and layer thickness strongly influence the formation of wrinkles which is proposed to be related to the release of compressive strain during perovskite crystallization. Our work helps us to better understand film formation and to further improve the efficiency of PSCs with widely used mixed-perovskite compositions.
We consider a sequential cascade of molecular first-reaction events towards a terminal reaction centre in which each reaction step is controlled by diffusive motion of the particles. The model studied here represents a typical reaction setting encountered in diverse molecular biology systems, in which, e.g. a signal transduction proceeds via a series of consecutive 'messengers': the first messenger has to find its respective immobile target site triggering a launch of the second messenger, the second messenger seeks its own target site and provokes a launch of the third messenger and so on, resembling a relay race in human competitions. For such a molecular relay race taking place in infinite one-, two- and three-dimensional systems, we find exact expressions for the probability density function of the time instant of the terminal reaction event, conditioned on preceding successful reaction events on an ordered array of target sites. The obtained expressions pertain to the most general conditions: number of intermediate stages and the corresponding diffusion coefficients, the sizes of the target sites, the distances between them, as well as their reactivities are arbitrary.
If nanostructures are irradiated with energetic ions, the mechanism of sputtering becomes important when the ion range matches about the size of the nanoparticle. Gold nanoparticles with diameters of similar to 50 nm on top of silicon substrates with a native oxide layer were irradiated by gallium ions with energies ranging from 1 to 30 keV in a focused ion beam system. High resolution in situ scanning electron microscopy imaging permits detailed insights in the dynamics of the morphology change and sputter yield. Compared to bulk-like structures or thin films, a pronounced shaping and enhanced sputtering in the nanostructures occurs, which enables a specific shaping of these structures using ion beams. This effect depends on the ratio of nanoparticle size and ion energy. In the investigated energy regime, the sputter yield increases at increasing ion energy and shows a distinct dependence on the nanoparticle size. The experimental findings are directly compared to Monte Carlo simulations obtained from iradina and TRI3DYN, where the latter takes into account dynamic morphological and compositional changes of the target.
We report an analytical approach to study the competitive processes of solubilisation in micelles and of adsorption onto hydrophobic surfaces of poorly soluble hydrophobic dyes. The method is demonstrated on model systems containing two sources of Disperse Red 60: a bulk powder and a donor red textile, with molecularly dissolved dye stabilised in an aqueous environment by mixed micelles of anionic and non-ionic surfactants. The process of dye transfer between a donor textile (red polyester), surfactant micelles and an acceptor textile (white polyamide) was quantified by a combination of colorimetric analyses. UV-Vis absorbance was used to follow the extraction of the dye and to evaluate the solubilisation capacity of the micellar solution. A calibration curve for textile reflectance versus the adsorbed dye was generated to quantify the mass of dye transferred onto the acceptor textile. A combination of both techniques allowed us to compare the amount of dye desorbed from the donor textile and adsorbed onto the acceptor textile as a function of time for systems undergoing exhaustion-solubilisation mechanisms and only solubilisation mechanism. Up to similar or equal to 10 min of the washing process, the released dye is predominantly solubilised in surfactant micelles. At later times, the adsorption of the dye on the hydrophobic surface is energetically favoured. The shift of the desorption equilibrium in the presence of the acceptor textile results in similar or equal to 30% increase in the release of the dye. The reported methodology provides direct comparative analysis between the solubilisation capacity of amphiphilic stabilisers and the tendency of the dye to adsorb on solid substrates, important for designing novel concepts of disperse dye solubilisation and dye transfer inhibition during textile washing.
Understanding of wave environments is critical for the understanding of how particles are accelerated and lost in space. This study shows that in the vicinity of Europa and Ganymede, that respectively have induced and internal magnetic fields, chorus wave power is significantly increased. The observed enhancements are persistent and exceed median values of wave activity by up to 6 orders of magnitude for Ganymede. Produced waves may have a pronounced effect on the acceleration and loss of particles in the Jovian magnetosphere and other astrophysical objects. The generated waves are capable of significantly modifying the energetic particle environment, accelerating particles to very high energies, or producing depletions in phase space density. Observations of Jupiter’s magnetosphere provide a unique opportunity to observe how objects with an internal magnetic field can interact with particles trapped in magnetic fields of larger scale objects.
Bias plays an important role in the enhancement of diffusion in periodic potentials. Using the continuous-time random walk in the presence of a bias, we report on an interesting phenomenon for the enhancement of diffusion by the start of the measurement in a random energy landscape. When the variance of the waiting time diverges, in contrast to the bias-free case, the dynamics with bias becomes superdiffusive. In the superdiffusive regime, we find a distinct initial ensemble dependence of the diffusivity. Moreover, the diffusivity can be increased by the aging time when the initial ensemble is not in equilibrium. We show that the time-averaged variance converges to the corresponding ensemble-averaged variance; i.e., ergodicity is preserved. However, trajectory-to-trajectory fluctuations of the time-averaged variance decay unexpectedly slowly. Our findings provide a rejuvenation phenomenon in the superdiffusive regime, that is, the diffusivity for a nonequilibrium initial ensemble gradually increases to that for an equilibrium ensemble when the start of the measurement is delayed.
Owing to their ability of concentrating electromagnetic fields to subwavelength mode volumes, plasmonic nanoparticles foster extremely high light-matter coupling strengths reaching far into the strong-coupling regime of light matter interaction. In this article, we present an experimental investigation on the dependence of coupling strength on the geometrical size of the nanoparticle. The coupling strength for differently sized hybrid plasmon-core exciton-shell nanorods was extracted from the typical resonance anticrossing of these systems, obtained by controlled modification of the environment permittivity using layer-by-layer deposition of polyelectrolytes. The observed size dependence of the coupling strength can be explained by a simple model approximating the electromagnetic mode volume by the geometrical volume of the particle. On the basis of this model, the coupling strength for particles of arbitrary size can be predicted, including the particle size necessary to support single-emitter strong coupling.
When the network is reconstructed, two types of errors can occur: false positive and false negative errors about the presence or absence of links. In this paper, the influence of these two errors on the vertex degree distribution is analytically analyzed. Moreover, an analytic formula of the density of the biased vertex degree distribution is found. In the inverse problem, we find a reliable procedure to reconstruct analytically the density of the vertex degree distribution of any network based on the inferred network and estimates for the false positive and false negative errors based on, e.g., simulation studies.
We explore the risk that self-reinforcing feedbacks could push the Earth System toward a planetary threshold that, if crossed, could prevent stabilization of the climate at intermediate temperature rises and cause continued warming on a "Hothouse Earth" pathway even as human emissions are reduced. Crossing the threshold would lead to a much higher global average temperature than any interglacial in the past 1.2 million years and to sea levels significantly higher than at any time in the Holocene. We examine the evidence that such a threshold might exist and where it might be. If the threshold is crossed, the resulting trajectory would likely cause serious disruptions to ecosystems, society, and economies. Collective human action is required to steer the Earth System away from a potential threshold and stabilize it in a habitable interglacial-like state. Such action entails stewardship of the entire Earth System-biosphere, climate, and societies-and could include decarbonization of the global economy, enhancement of biosphere carbon sinks, behavioral changes, technological innovations, new governance arrangements, and transformed social values.
Ultrafast heat transport in nanoscale metal multilayers is of great interest in the context of optically induced demagnetization, remagnetization and switching. If the penetration depth of light exceeds the bilayer thickness, layer-specific information is unavailable from optical probes. Femtosecond diffraction experiments provide unique experimental access to heat transport over single digit nanometer distances. Here, we investigate the structural response and the energy flow in the ultrathin double-layer system: gold on ferromagnetic nickel. Even though the excitation pulse is incident from the Au side, we observe a very rapid heating of the Ni lattice, whereas the Au lattice initially remains cold. The subsequent heat transfer from Ni to the Au lattice is found to be two orders of magnitude slower than predicted by the conventional heat equation and much slower than electron-phonon coupling times in Au. We present a simplified model calculation highlighting the relevant thermophysical quantities.
Percolation networks have been widely used in the description of porous media but are now found to be relevant to understand the motion of particles in cellular membranes or the nucleus of biological cells. Random walks on the infinite cluster at criticality of a percolation network are asymptotically ergodic. On any finite size cluster of the network stationarity is reached at finite times, depending on the cluster's size. Despite of this we here demonstrate by combination of analytical calculations and simulations that at criticality the disorder and cluster size average of the ensemble of clusters leads to a non-vanishing variance of the time averaged mean squared displacement, regardless of the measurement time. Fluctuations of this relevant experimental quantity due to the disorder average of such ensembles are thus persistent and non-negligible. The relevance of our results for single particle tracking analysis in complex and biological systems is discussed.
In this work, we investigate the potassium excess absorption around 7699 Å of the exoplanets HD189733b and HD209458b. For this purpose, we used high-spectral resolution transit observations acquired with the 2 × 8.4 m Large Binocular Telescope (LBT) and the Potsdam Echelle Polarimetric and Spectroscopic Instrument (PEPSI). For a bandwidth of 0.8 Å, we present a detection >7σ with an absorption level of 0.18 per cent for HD189733b. Applying the same analysis to HD209458b, we can set 3σ upper limit of 0.09 per cent, even though we do not detect a K-excess absorption. The investigation suggests that the K feature is less present in the atmosphere of HD209458b than in the one of HD189733b. This comparison confirms previous claims that the atmospheres of these two planets must have fundamentally different properties.
The study of exoplanet atmospheres showed large diversity compared to the planets in our Solar system. Especially Jupiter-type exoplanets orbiting their host star in close orbits, the so-called hot and ultra-hot Jupiters, have been studied in detail due to their enhanced atmospheric signature. Due to their tidally locked status, the temperature difference between the day- and nightside triggers atmospheric winds that can lead to various fingerprints in the observations. Spatially resolved absorption lines during transit such as sodium (Na) could be a good tracer for such winds. Different works resolved the Na absorption lines on different exoplanets which show different line widths. Assuming that this could be attributed to such zonal jet streams, this work models the effect of such winds on synthetic absorption lines. For this, transiting Jupiter-type planets with rotational velocities similar to hot and ultra-hot Jupiter are considered. The investigation shows that high wind velocities could reproduce the broadening of Na-line profiles inferred in different high-resolution transit observations. There is a tendency that the broadening values decrease for planets with lower equilibrium temperature. This could be explained by atmospheric drag induced by the ionization of alkali lines that slow down the zonal jet streams, favouring their existence on hot Jupiter rather than ultra-hot Jupiter.
High spectral resolution transmission spectroscopy is a powerful tool to characterize exoplanet atmospheres. Especially for hot Jupiters, this technique is highly relevant, due to their high-altitude absorption, e.g. from resonant sodium (Na i) and potassium (K i) lines. We resolve the atmospheric K i absorption on HD189733b with the aim to compare the resolved K i line and previously obtained high-resolution Na i-D line observations with synthetic transmission spectra. The line profiles suggest atmospheric processes leading to a line broadening of the order of ∼10 km/s for the Na i-D lines and only a few km/s for the K i line. The investigation hints that either the atmosphere of HD189733b lacks a significant amount of K i or the alkali lines probe different atmospheric regions with different temperature, which could explain the differences we see in the resolved absorption lines.
Bacteria swim in sequences of straight runs that are interrupted by turning events. They drive their swimming locomotion with the help of rotating helical flagella. Depending on the number of flagella and their arrangement across the cell body, different run-and-turn patterns can be observed. Here, we present fluorescence microscopy recordings showing that cells of the soil bacterium Pseudomonas putida that are decorated with a polar tuft of helical flagella, can alternate between two distinct swimming patterns. On the one hand, they can undergo a classical push-pull-push cycle that is well known from monopolarly flagellated bacteria but has not been reported for species with a polar bundle of multiple flagella. Alternatively, upon leaving the pulling mode, they can enter a third slow swimming phase, where they propel themselves with their helical bundle wrapped around the cell body. A theoretical estimate based on a random-walk model shows that the spreading of a population of swimmers is strongly enhanced when cycling through a sequence of pushing, pulling, and wrapped flagellar configurations as compared to the simple push-pull-push pattern.
Intense C III] lambda lambda 1907,1909 emission from a strong Lyman continuum emitting galaxy
(2018)
We have obtained the first complete ultraviolet (UV) spectrum of a strong Lyman continuum (LyC) emitter at low redshift - the compact, low-metallicity, star-forming galaxy J1154+2443 - with a Lyman continuum escape fraction of 46% discovered recently. The Space Telescope Imaging Spectrograph spectrum shows strong Ly alpha and C III] lambda 1909 emission, as well as O III] lambda 1666. Our observations show that strong LyC emitters can have UV emission lines with a high equivalent width (e.g. EW(C III]) = 11.7 +/- 2.9 angstrom rest-frame), although their equivalent widths should be reduced due to the loss of ionizing photons. The intrinsic ionizing photon production efficiency of J1154+2443 is high, log(xi(0)(ion)) = 25.56 erg(-1) Hz, comparable to that of other recently discovered z similar to 0.3-0.4 LyC emitters. Combining our measurements and earlier determinations from the literature, we find a trend of increasing xi(0)(ion) with increasing C III] lambda 1909 equivalent width, which can be understood by a combination of decreasing stellar population age and metallicity. Simple ionization and density-bounded photoionization models can explain the main observational features including the UV spectrum of J1154+2443.
Context. SMC AB6 is the shortest-period (P = 6.5 d) Wolf-Rayet (WR) binary in the Small Magellanic Cloud. This binary is therefore a key system in the study of binary interaction and formation of WR stars at low metallicity. The WR component in AB6 was previously found to be very luminous (log L = 6.3 [L-circle dot]) compared to its reported orbital mass (approximate to 8 M-circle dot), placing it significantly above the Eddington limit. Aims. Through spectroscopy and orbital analysis of newly acquired optical data taken with the Ultraviolet and Visual Echelle Spectrograph (UVES), we aim to understand the peculiar results reported for this system and explore its evolutionary history. Methods. We measured radial velocities via cross-correlation and performed a spectral analysis using the Potsdam Wolf-Rayet model atmosphere code. The evolution of the system was analyzed using the Binary Population and Spectral Synthesis evolution code. Results. AB6 contains at least four stars. The 6.5 d period WR binary comprises the WR primary (WN3:h, star A) and a rather rapidly rotating (v(eq) = 265 km s(-1)) early O-type companion (O5.5 V, star B). Static N III and N IV emission lines and absorption signatures in He lines suggest the presence of an early-type emission line star (O5.5 I(f), star C). Finally, narrow absorption lines portraying a long-term radial velocity variation show the existence of a fourth star (O7.5 V, star D). Star D appears to form a second 140 d period binary together with a fifth stellar member, which is a B-type dwarf or a black hole. It is not clear that these additional components are bound to the WR binary. We derive a mass ratio of M-O/M-WR = 2.2 +/- 0.1. The WR star is found to be less luminous than previously thought (log L = 5.9 [L-circle dot]) and, adopting M-O = 41 M-circle dot for star B, more massive (M-WR = 18 M-circle dot). Correspondingly, the WR star does not exceed the Eddington limit. We derive the initial masses of M-i,M-WR = 60 M-circle dot and M-i,M-O = 40 M-circle dot and an age of 3.9 Myr for the system. The WR binary likely experienced nonconservative mass transfer in the past supported by the relatively rapid rotation of star B. Conclusions. Our study shows that AB6 is a multiple - probably quintuple - system. This finding resolves the previously reported puzzle of the WR primary exceeding the Eddington limit and suggests that the WR star exchanged mass with its companion in the past.
How ergodic is diffusion under harmonic confinements? How strongly do ensemble- and time-averaged displacements differ for a thermally-agitated particle performing confined motion for different initial conditions? We here study these questions for the generic Ornstein-Uhlenbeck (OU) process and derive the analytical expressions for the second and fourth moment. These quantifiers are particularly relevant for the increasing number of single-particle tracking experiments using optical traps. For a fixed starting position, we discuss the definitions underlying the ensemble averages. We also quantify effects of equilibrium and nonequilibrium initial particle distributions onto the relaxation properties and emerging nonequivalence of the ensemble- and time-averaged displacements (even in the limit of long trajectories). We derive analytical expressions for the ergodicity breaking parameter quantifying the amplitude scatter of individual time-averaged trajectories, both for equilibrium and outof-equilibrium initial particle positions, in the entire range of lag times. Our analytical predictions are in excellent agreement with results of computer simulations of the Langevin equation in a parabolic potential. We also examine the validity of the Einstein relation for the ensemble- and time-averaged moments of the OU-particle. Some physical systems, in which the relaxation and nonergodic features we unveiled may be observable, are discussed.
We examine renewal processes with power-law waiting time distributions (WTDs) and non-zero drift via computing analytically and by computer simulations their ensemble and time averaged spreading characteristics. All possible values of the scaling exponent alpha are considered for the WTD psi(t) similar to 1/t(1+alpha). We treat continuous-time random walks (CTRWs) with 0 < alpha < 1 for which the mean waiting time diverges, and investigate the behaviour of the process for both ordinary and equilibrium CTRWs for 1 < alpha < 2 and alpha > 2. We demonstrate that in the presence of a drift CTRWs with alpha < 1 are ageing and non-ergodic in the sense of the non-equivalence of their ensemble and time averaged displacement characteristics in the limit of lag times much shorter than the trajectory length. In the sense of the equivalence of ensemble and time averages, CTRW processes with 1 < alpha < 2 are ergodic for the equilibrium and non-ergodic for the ordinary situation. Lastly, CTRW renewal processes with alpha > 2-both for the equilibrium and ordinary situation-are always ergodic. For the situations 1 < alpha < 2 and alpha > 2 the variance of the diffusion process, however, depends on the initial ensemble. For biased CTRWs with alpha > 1 we also investigate the behaviour of the ergodicity breaking parameter. In addition, we demonstrate that for biased CTRWs the Einstein relation is valid on the level of the ensemble and time averaged displacements, in the entire range of the WTD exponent alpha.
A numerical framework is developed to study the hysteresis of elastic properties of porous ceramics as a function of temperature. The developed numerical model is capable of employing experimentally measured crystallographic orientation distribution and coefficient of thermal expansion values. For realistic modeling of the microstructure, Voronoi polygons are used to generate polycrystalline grains. Some grains are considered as voids, to simulate the material porosity. To model intercrystalline cracking, cohesive elements are inserted along grain boundaries. Crack healing (recovery of the initial properties) upon closure is taken into account with special cohesive elements implemented in the commercial code ABAQUS. The numerical model can be used to estimate fracture properties governing the cohesive behavior through inverse analysis procedure. The model is applied to a porous cordierite ceramic. The obtained fracture properties are further used to successfully simulate general non-linear macroscopic stress-strain curves of cordierite, thereby validating the model.
We demonstrate a tilted pulse-front transient grating (TG) technique that allows to optimally utilize time resolution as well as TG line density while probing under grazing incidence as typically done in extreme ultraviolet (EUV) or soft x-ray (SXR) experiments. Our optical setup adapts the pulse front tilt of the two pulses that create the TG to the grazing incident pulse. We demonstrate the technique using all 800 nm femtosecond laser pulses for TG generation on a vanadium dioxide film. We probe that grating via diffraction of a third 800 nm pulse. The time resolution of 90 fs is an improvement by a factor of 30 compared to our previous experiments on the same system. The scheme paves the way for EUV and SXR probing of optically induced TGs on any material.
This study examines the relationship between the magnetic mesostructure with the microstructure of low carbon steel tungsten inert gas welds. Optical microscopy revealed variation in the microstructure of the parent material, in the heat affected and fusion zones, correlating with distinctive changes in the local magnetic stray fields measured with high spatial resolution giant magneto resistance sensors. In the vicinity of the heat affected zone high residual stresses were found using neutron diffraction. Notably, the gradients of von Mises stress and triaxial magnetic stray field modulus follow the same tendency transverse to the weld. In contrast, micro-X-ray fluorescence characterization indicated that local changes in element composition had no independent effect on magnetic stray fields.
We present very-high-resolution 1D MHD simulations of the late-stage supernova remnants (SNRs). In the post-adiabatic stage, the magnetic field has an important and significant dynamical effect on the shock dynamics, the flow structure, and hence the acceleration and emission of cosmic rays. We find that the tangential component of the magnetic field provides pressure support that to a fair degree prevents the collapse of the radiative shell and thus limits the total compression ratio of the partially or fully radiative forward shock. A consequence is that the spectra of cosmic rays would not be as hard as in hydrodynamic simulations. We also investigated the effect on the flow profiles of the magnetic-field inclination and a large-scale gradient in the gas density and/or the magnetic field. A positive density gradient shortens the evolutionary stages, whereas a shock obliquity lowers the shock compression. The compression of the tangential component of the magnetic field leads to its dominance in the downstream region of post-adiabatic shocks for a wide range of orientation of the upstream field, which may explain why one preferentially observes tangential radio polarization in old SNRs. As most cosmic rays are produced at late stages of SNR evolution, the post-adiabatic phase and the influence of the magnetic field during it are most important for modeling the cosmic-ray acceleration at old SNRs and the gamma-ray emission from late-stage SNRs interacting with clouds.
Spectroscopic observations play essential roles in astrophysics. They are crucial for determining physical parameters in our Universe, providing information about the chemistry of various astronomical environments. The proper execution of the spectroscopic analysis requires accounting for all the physical effects that are compatible to the signal-to-noise ratio. We find in this paper the influence on spectroscopy from the atomic/ground state alignment owing to anisotropic radiation and modulated by interstellar magnetic field, has significant impact on the study of interstellar gas. In different observational scenarios, we comprehensively demonstrate how atomic alignment influences the spectral analysis and provide the expressions for correcting the effect. The variations are even more pronounced for multiplets and line ratios. We show the variation of the deduced physical parameters caused by the atomic alignment effect, including alpha-to-iron ratio ([X/Fe]) and ionization fraction. Synthetic observations are performed to illustrate the visibility of such effect with current facilities. A study of Photodissociation regions in rho Ophiuchi cloud is presented to demonstrate how to account for atomic alignment in practice. Our work has shown that due to its potential impact, atomic alignment has to be included in an accurate spectroscopic analysis of the interstellar gas with current observational capability.
Highly ionized metals as probes of the circumburst gas in the natal regions of gamma-ray bursts
(2018)
We present here a survey of high-ionization absorption lines in the afterglow spectra of long-duration gamma-ray bursts (GRBs) obtained with the VLT/X-shooter spectrograph. Our main goal is to investigate the circumburst medium in the natal regions of GRBs. Our primary focus is on the N vλλ 1238, 1242 line transitions, but we also discuss other high-ionization lines such as O vi, C iv, and Si iv. We find no correlation between the column density of N v and the neutral gas properties such as metallicity, H i column density, and dust depletion; however, the relative velocity of N v, typically a blueshift with respect to the neutral gas, is found to be correlated with the column density of H i. This may be explained if the N v gas is part of an H ii region hosting the GRB, where the region’s expansion is confined by dense, neutral gas in the GRB’s host galaxy. We find tentative evidence (at 2σ significance) that the X-ray derived column density, NH, X, may be correlated with the column density of N v, which would indicate that both measurements are sensitive to the column density of the gas located in the vicinity of the GRB. We investigate the scenario where N v (and also O vi) is produced by recombination after the corresponding atoms have been stripped entirely of their electrons by the initial prompt emission, in contrast to previous models where highly ionized gas is produced by photoionization from the GRB afterglow.
Based on our new NuSTAR X-ray telescope data, we rule out any cyclotron line up to 60 keV in the spectra of the high-mass X-ray binary 4U2206+54. In particular, we do not find any evidence of the previously claimed line around 30 keV, independently of the source flux, along the spin pulse. The spin period has increased significantly, since the last observation, up to 5750 +/- 10 s, confirming the rapid spin-down rate (nu)over dot = -1.8 x 10(-14) Hz s(-1). This behaviour might be explained by the presence of a strongly magnetized neutron star (B-s > several times 10(13) G) accreting from the slow wind of its main-sequence O9.5 companion.
Improving network inference
(2018)
Background: A reliable inference of networks from data is of key interest in the Neurosciences. Several methods have been suggested in the literature to reliably determine links in a network. To decide about the presence of links, these techniques rely on statistical inference, typically controlling the number of false positives, paying little attention to false negatives. New method: In this paper, by means of a comprehensive simulation study, we analyse the influence of false positive and false negative conclusions about the presence or absence of links in a network on the network topology. We show that different values to balance false positive and false negative conclusions about links should be used in order to reliably estimate network characteristics. We propose to run careful simulation studies prior to making potentially erroneous conclusion about the network topology. Results: Our analysis shows that optimal values to balance false positive and false negative conclusions about links depend on the network topology and characteristic of interest. Comparison with existing methods: Existing methods rely on a choice of the rate for false positive conclusions. They aim to be sure about individual links rather than the entire network. The rate of false negative conclusions is typically not investigated. Conclusions: Our investigation shows that the balance of false positive and false negative conclusions about links in a network has to be tuned for any network topology that is to be estimated. Moreover, within the same network topology, the results are qualitatively the same for each network characteristic, but the actual values leading to reliable estimates of the characteristics are different.
We present a general experimental concept for jitter-free pump and probe experiments at free electron lasers. By generating pump and probe pulse from one and the same X-ray pulse using an optical split-and-delay unit, we obtain a temporal resolution that is limited only by the X-ray pulse lengths. In a two-color X-ray pump and X-ray probe experiment with sub 70 fs temporal resolution, we selectively probe the response of orbital and charge degree of freedom in the prototypical functional oxide magnetite after photoexcitation. We find electronic order to be quenched on a time scale of (30 +/- 30) fs and hence most likely faster than what is to be expected for any lattice dynamics. Our experimental result hints to the formation of a short lived transient state with decoupled electronic and lattice degree of freedom in magnetite. The excitation and relaxation mechanism for X-ray pumping is discussed within a simple model leading to the conclusion that within the first 10 fs the original photoexcitation decays into low-energy electronic excitations comparable to what is achieved by optical pump pulse excitation. Our findings show on which time scales dynamical decoupling of degrees of freedom in functional oxides can be expected and how to probe this selectively with soft X-ray pulses. Results can be expected to provide crucial information for theories for ultrafast behavior of materials and help to develop concepts for novel switching devices. (C) 2018 Author(s).
Observational studies have revealed that galaxy pairs tend to have lower gas-phase metallicity than isolated galaxies. This metallicity deficiency can be caused by inflows of low-metallicity gas due to the tidal forces and gravitational torques associated with galaxy mergers, diluting the metal content of the central region. In this work we demonstrate that such metallicity dilution occurs in state-of-the-art cosmological simulations of galaxy formation. We find that the dilution is typically 0.1 dex for major mergers, and is noticeable at projected separations smaller than 40 kpc. For minor mergers the metallicity dilution is still present, even though the amplitude is significantly smaller. Consistent with previous analysis of observed galaxies we find that mergers are outliers from the fundamental metallicity relation, with deviations being larger than expected for a Gaussian distribution of residuals. Our large sample of mergers within full cosmological simulations also makes it possible to estimate how the star formation rate enhancement and gas consumption timescale behave as a function of the merger mass ratio. We confirm that strong starbursts are likely to occur in major mergers, but they can also arise in minor mergers if more than two galaxies are participating in the interaction, a scenario that has largely been ignored in previous work based on idealised isolated merger simulations.
Phase response curves are important for analysis and modeling of oscillatory dynamics in various applications, particularly in neuroscience. Standard experimental technique for determining them requires isolation of the system and application of a specifically designed input. However, isolation is not always feasible and we are compelled to observe the system in its natural environment under free-running conditions. To that end we propose an approach relying only on passive observations of the system and its input. We illustrate it with simulation results of an oscillator driven by a stochastic force.
We report on the formation of stimuli-responsive structured hydrogel thin films whose pattern geometry can be adjusted on demand and tuned reversibly by varying solvent quality or by changing temperature. The hydrogel films, similar to 100 nm in thickness, were prepared by depositing layers of random copolymers comprising N-isopropylacrylamide and ultraviolet (UV)-active methacryloyloxybenzophenone units onto solid substrates. A two-beam interference pattern technique was used to cross-link the selected areas of the film; any unreacted material was extracted using ethanol after UV light-assisted cross-linking. In this way, we produced nanoholes, perfectly ordered structures with a narrow size distribution, negligible tortuosity, adjustable periodicity, and a high density. The diameter of the circular holes ranged from a few micrometers down to several tens of nanometers; the hole periodicity could be adjusted readily by changing the optical period of the UV interference pattern. The holes were reversibly closed and opened by swelling/deswelling the polymer networks in the presence of ethanol and water, respectively, at various temperatures. The reversible regulation of the hole diameter can be repeated many times within a few seconds. The hydrogel sheet with circular holes periodically arranged may also be transferred onto different substrates and be employed as tunable templates for the deposition of desired substances.
We employ ultrafast X-ray diffraction to compare the lattice dynamics of laser-excited continuous and granular FePt films on MgO (100) substrates. Contrary to recent results on free-standing granular films, we observe in both cases a pronounced and long-lasting out-of-plane expansion. We attribute this discrepancy to the in-plane expansion, which is suppressed by symmetry in continuous films. Granular films on substrates are less constrained and already show a reduced out-of-plane contraction. Via the Poisson effect, out-of-plane contractions drive in-plane expansion and vice versa. Consistently, the granular film exhibits a short-lived out-of-plane contraction driven by ultrafast demagnetization which is followed by a reduced and delayed expansion. From the acoustic reflections of the observed strain waves at the film-substrate interface, we extract a 13% reduction of the elastic constants in thin 10 nm FePt films compared to bulk-like samples. (C) 2018 Author(s).
Cosmic-ray electrons and positrons (CREs) at GeV-TeV energies are a unique probe of our local Galactic neighborhood. CREs lose energy rapidly via synchrotron radiation and inverse-Compton scattering processes while propagating within the Galaxy, and these losses limit their propagation distance. For electrons with TeV energies, the limit is on the order of a kiloparsec. Within that distance, there are only a few known astrophysical objects capable of accelerating electrons to such high energies. It is also possible that the CREs are the products of the annihilation or decay of heavy dark matter (DM) particles. VERITAS, an array of imaging air Cherenkov telescopes in southern Arizona, is primarily utilized for gamma-ray astronomy but also simultaneously collects CREs during all observations. We describe our methods of identifying CREs in VERITAS data and present an energy spectrum, extending from 300 GeV to 5 TeV, obtained from approximately 300 hours of observations. A single power-law fit is ruled out in VERITAS data. We find that the spectrum of CREs is consistent with a broken power law, with a break energy at 710 +/- 40(stat) +/- 140(syst) GeV.
Context. NGC 253 is one of only two starburst galaxies found to emit gamma-rays from hundreds of MeV to multi-TeV energies. Accurate measurements of the very-high-energy (VHE; E> 100 GeV) and high-energy (HE; E > 60 MeV) spectra are crucial to study the underlying particle accelerators, probe the dominant emission mechanism(s) and to study cosmic-ray interaction and transport. Aims. The measurement of the VHE gamma-ray emission of NGC 253 published in 2012 by H.E.S.S. was limited by large systematic uncertainties. Here, the most up to date measurement of the gamma-ray spectrum of NGC 253 is investigated in both HE and VHE gamma-rays. Assuming a hadronic origin of the gamma-ray emission, the measurement uncertainties are propagated into the interpretation of the accelerated particle population. Methods. The data of H.E.S.S. observations are reanalysed using an updated calibration and analysis chain. The improved Fermi-LAT analysis employs more than 8 yr of data processed using pass 8. The cosmic-ray particle population is evaluated from the combined HE-VHE gamma-ray spectrum using NAIMA in the optically thin case. Results. The VHE gamma-ray energy spectrum is best fit by a power-law distribution with a flux normalisation of (1.34 +/- 0.14(stat) +/- 0.27(sys)) x 10(-13) cm(-2) s(-1) TeV-1 at 1 TeV - about 40% above, but compatible with the value obtained in Abramowski et al. (2012). The spectral index Gamma = 2.39 +/- 0.14(stat) +/- 0.25(sys) is slightly softer than but consistent with the previous measurement within systematic errors. In the Fermi energy range an integral flux of F(E > 60 MeV) = (1.56 +/- 0.28(stat) +/- 0.15(sys)) x 10(-8) cm(-2) s(-1) is obtained. At energies above similar to 3 GeV the HE spectrum is consistent with a power-law ranging into the VHE part of the spectrum measured by H.E.S.S. with an overall spectral index Gamma = 2.22 +/- 0.06(stat). Conclusions. Two scenarios for the starburst nucleus are tested, in which the gas in the starburst nucleus acts as either a thin or a thick target for hadronic cosmic rays accelerated by the individual sources in the nucleus. In these two models, the level to which NGC 253 acts as a calorimeter is estimated to a range of f(cal) = 0.1 to 1 while accounting for the measurement uncertainties. The presented spectrum is likely to remain the most accurate measurements until the Cherenkov Telescope Array (CTA) has collected a substantial set of data towards NGC 253.