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A prediction of the current paradigm of the hierarchical assembly of galaxies is the presence of supermassive dual black holes at separations of a few kpc or less. In this context, we report the detection of a narrow-line emitter within the extended Ly alpha nebula (similar to 120 kpc diameter) of the luminous radio-quiet quasi-stellar object (QSO) LBQS 0302 0019 at z = 3 : 286. We identify several high-ionization narrow emission lines (He II, C IV, C III) associated with this point-like source, which we have named "Jil", which is only similar to 20 kpc (2 : 0 0 9) away from the QSO in projection. Emission-line diagnostics confirm that the source is likely powered by photoionization of an obscured active galactic nucleus (AGN) three orders of magnitude fainter than the QSO. The system represents the tightest unobscured/obscured dual AGN currently known at z > 3, highlighting the power of MUSE to detect these elusive systems.
The Leading Arm (LA) of the Magellanic Stream is a vast debris field of H I clouds connecting the Milky Way and the Magellanic Clouds. It represents an example of active gas accretion onto the Galaxy. Previously, only one chemical abundance measurement had been made in the LA. Here we present chemical abundance measurements using Hubble Space Telescope/Cosmic Origins Spectrograph and Green Bank Telescope spectra of four AGN sightlines passing through the LA and three nearby sightlines that may trace outer fragments of the LA. We find low oxygen abundances, ranging from 4.0+(2.0)(2.0)% 12.6(4.1)(6.0)% solar, in the confirmed LA directions, with the lowest values found in the region known as LA III, farthest from the LMC. These abundances are substantially lower than the single previous measurement, S/H = 35 +/- 7% solar, but are in agreement with those reported in the SMC filament of the trailing Stream, supporting a common origin in the SMC (not the LMC) for the majority of the LA and trailing Stream. This provides important constraints for models of the formation of the Magellanic System. Finally, two of the three nearby sightlines show high-velocity clouds with H I columns, kinematics, and oxygen abundances consistent with LA membership. This suggests that the LA is larger than traditionally thought, extending at least 20 degrees further to the Galactic northwest.
The luminescence of Lanthanide(Ill) complexes with different model ligands was studied under direct as well as sensitized excitation conditions. The research was performed in the context of studies dealing with deep-underground storages for high-level nuclear waste. Here, Lanthanide(III) ions served as natural analogues for Actinide(III) ions and the low-molecular weight organic ligands are present in clay minerals and furthermore, they were employed as proxies for building blocks of humic substances, which are important complexing molecules in the natural environment, e.g., in the far field of a repository site. Time-resolved luminescence spectroscopy was applied for a detailed characterization of Eu(III), Tb(III), Sm(III) and.Dy(III) complexes in aqueous solutions. Based on the observed luminescence the ligands were tentatively divided into two groups (A, B). The luminescence of Lanthanide(III) complexes of group A was mainly influenced by an energy transfer to OH-vibrations. Lanthanide(Ill) complexes of group B showed ligand-related luminescence quenching, which was further investigated. To gain more information on the underlying quenching processes of group A and B ligands, measurements at different temperatures (77 K <= T <= 353 K) were performed and activation energies were determined based on an Arrhenius analysis. Moreover, the influence of the ionic strength between 0 M <= 1 <= 4 M on the Lanthanide(III) luminescence was monitored for different complexes, in order to evaluate the influence of specific conditions encountered in host rocks foreseen as potential repository sites.
X-ray free-electron lasers (XFELs) and table-top sources of x-rays based upon high harmonic generation (HHG) have revolutionized the field of ultrafast x-ray atomic and molecular physics, largely due to an explosive growth in capabilities in the past decade. XFELs now provide unprecedented intensity (10(20) W cm(-2)) of x-rays at wavelengths down to similar to 1 Angstrom, and HHG provides unprecedented time resolution (similar to 50 attoseconds) and a correspondingly large coherent bandwidth at longer wavelengths. For context, timescales can be referenced to the Bohr orbital period in hydrogen atom of 150 attoseconds and the hydrogen-molecule vibrational period of 8 femtoseconds; wavelength scales can be referenced to the chemically significant carbon K-edge at a photon energy of similar to 280 eV (44 Angstroms) and the bond length in methane of similar to 1 Angstrom. With these modern x-ray sources one now has the ability to focus on individual atoms, even when embedded in a complex molecule, and view electronic and nuclear motion on their intrinsic scales (attoseconds and Angstroms). These sources have enabled coherent diffractive imaging, where one can image non-crystalline objects in three dimensions on ultrafast timescales, potentially with atomic resolution. The unprecedented intensity available with XFELs has opened new fields of multiphoton and nonlinear x-ray physics where behavior of matter under extreme conditions can be explored. The unprecedented time resolution and pulse synchronization provided by HHG sources has kindled fundamental investigations of time delays in photoionization, charge migration in molecules, and dynamics near conical intersections that are foundational to AMO physics and chemistry. This roadmap coincides with the year when three new XFEL facilities, operating at Angstrom wavelengths, opened for users (European XFEL, Swiss-FEL and PAL-FEL in Korea) almost doubling the present worldwide number of XFELs, and documents the remarkable progress in HHG capabilities since its discovery roughly 30 years ago, showcasing experiments in AMO physics and other applications. Here we capture the perspectives of 17 leading groups and organize the contributions into four categories: ultrafast molecular dynamics, multidimensional x-ray spectroscopies; high-intensity x-ray phenomena; attosecond x-ray science.
The high resolution near edge X-ray absorption fine structure spectrum of nitrogen displays the vibrational structure of the core-excited states. This makes nitrogen well suited for assessing the accuracy of different electronic structure methods for core excitations. We report high resolution experimental measurements performed at the SOLEIL synchrotron facility. These are compared with theoretical spectra calculated using coupled cluster theory and algebraic diagrammatic construction theory. The coupled cluster singles and doubles with perturbative triples model known as CC3 is shown to accurately reproduce the experimental excitation energies as well as the spacing of the vibrational transitions. The computational results are also shown to be systematically improved within the coupled cluster hierarchy, with the coupled cluster singles, doubles, triples, and quadruples method faithfully reproducing the experimental vibrational structure. Published by AIP Publishing.
We investigated the influence of the emitter (amorphous-Si, a-Si, or polythiophene derivatives: poly(3-hexylthiophene), P3HT, and poly(3-[3,6-dioxaheptyl]-thiophene), P3DOT) and the interface passivation (intrinsic a-Si or SiOX and methyl groups or SiOX) on the c-Si based 1 × 1 cm2 planar hybrid heterojunction solar cell parameters. We observed higher short circuit currents for the P3HT or P3DOT/c-Si solar cells than those obtained for a-Si/c-Si devices, independent of the interface passivation. The obtained VOC of 659 mV for the P3DOT/SiOX/c-Si heterojunction solar cell with hydrophilic 3,6-dioxaheptyl side chains is among the highest reported for c-Si/polythiophene devices. The maximum power conversion efficiency, PCE, was 11% for the P3DOT/SiOX/c-Si heterojunction solar cell. Additionally, our wafer lifetime measurements reveal a field effect passivation in the wafer induced by the polythiophenes when deposited on c-Si.
A composite flare consisting of an impulsive flare SOL2015-06-21T01:42 (GOES class M2.0) and a more gradual, long-duration flare SOL2015-06-21T02:36 (M2.6) from NOAA Active Region 12371, is studied using observations with the Nobeyama Radioheliograph (NoRH) and the Solar Dynamics Observatory (SDO). While composite flares are defined by their characteristic time profiles, in this paper we present imaging observations that demonstrate the spatial relationship of the two flares and allow us to address the nature of the evolution of a composite event. The NoRH maps show that the first flare is confined not only in time, but also in space, as evidenced by the stagnation of ribbon separation and the stationarity of the microwave source. The NoRH also detected another microwave source during the second flare, emerging from a different location where thermal plasma is so depleted that accelerated electrons could survive longer against Coulomb collisional loss. The AIA 131 angstrom images show that a sigmoidal EUV hot channel developed after the first flare and erupted before the second flare. We suggest that this eruption removed the high-lying flux to let the separatrix dome underneath reconnect with neighboring flux and the second microwave burst follow. This scenario explains how the first microwave burst is related to the much-delayed second microwave burst in this composite event.
We investigate synchronization of coupled organ pipes. Synchronization and reflection in the organ lead to undesired weakening of the sound in special cases. Recent experiments have shown that sound interaction is highly complex and nonlinear, however, we show that two delay-coupled Van-der-Pol oscillators appear to be a good model for the occurring dynamical phenomena. Here the coupling is realized as distance-dependent, or time-delayed, equivalently. Analytically, we investigate the synchronization frequency and bifurcation scenarios which occur at the boundaries of the Arnold tongues. We successfully compare our results to experimental data.
The power spectral density (PSD) of any time-dependent stochastic processX (t) is ameaningful feature of its spectral content. In its text-book definition, the PSD is the Fourier transform of the covariance function of X-t over an infinitely large observation timeT, that is, it is defined as an ensemble-averaged property taken in the limitT -> infinity. Alegitimate question is what information on the PSD can be reliably obtained from single-trajectory experiments, if one goes beyond the standard definition and analyzes the PSD of a single trajectory recorded for a finite observation timeT. In quest for this answer, for a d-dimensional Brownian motion (BM) we calculate the probability density function of a single-trajectory PSD for arbitrary frequency f, finite observation time T and arbitrary number k of projections of the trajectory on different axes. We show analytically that the scaling exponent for the frequency-dependence of the PSD specific to an ensemble of BM trajectories can be already obtained from a single trajectory, while the numerical amplitude in the relation between the ensemble-averaged and single-trajectory PSDs is afluctuating property which varies from realization to realization. The distribution of this amplitude is calculated exactly and is discussed in detail. Our results are confirmed by numerical simulations and single-particle tracking experiments, with remarkably good agreement. In addition we consider a truncated Wiener representation of BM, and the case of a discrete-time lattice random walk. We highlight some differences in the behavior of a single-trajectory PSD for BM and for the two latter situations. The framework developed herein will allow for meaningful physical analysis of experimental stochastic trajectories.
Aims. The giant solar filament was visible on the solar surface from 2011 November 8-23. Multiwavelength data from the Solar Dynamics Observatory (SDO) were used to examine counter-streaming flows within the spine of the filament. Methods. We use data from two SDO instruments, the Atmospheric Imaging Assembly (AIA) and the Helioseismic and Magnetic Imager (HMI), covering the whole filament, which stretched over more than half a solar diameter. H alpha images from the Kanzelhohe Solar Observatory (KSO) provide context information of where the spine of the filament is defined and the barbs are located. We apply local correlation tracking (LCT) to a two-hour time series on 2011 November 16 of the AIA images to derive horizontal flow velocities of the filament. To enhance the contrast of the AIA images, noise adaptive fuzzy equalization (NAFE) is employed, which allows us to identify and quantify counter-streaming flows in the filament. We observe the same cool filament plasma in absorption in both H alpha and EUV images. Hence, the counter-streaming flows are directly related to this filament material in the spine. In addition, we use directional flow maps to highlight the counter-streaming flows. Results. We detect counter-streaming flows in the filament, which are visible in the time-lapse movies in all four examined AIA wavelength bands (lambda 171 angstrom, lambda 193 angstrom, lambda 304 angstrom, and lambda 211 angstrom). In the time-lapse movies we see that these persistent flows lasted for at least two hours, although they became less prominent towards the end of the time series. Furthermore, by applying LCT to the images we clearly determine counter-streaming flows in time series of lambda 171 angstrom and lambda 193 angstrom images. In the lambda 304 angstrom wavelength band, we only see minor indications for counter-streaming flows with LCT, while in the lambda 211 angstrom wavelength band the counter-streaming flows are not detectable with this method. The diverse morphology of the filament in H alpha and EUV images is caused by different absorption processes, i.e., spectral line absorption and absorption by hydrogen and helium continua, respectively. The horizontal flows reach mean flow speeds of about 0.5 km s(-1) for all wavelength bands. The highest horizontal flow speeds are identified in the lambda 171 angstrom band with flow speeds of up to 2.5 km s(-1). The results are averaged over a time series of 90 minutes. Because the LCT sampling window has finite width, a spatial degradation cannot be avoided leading to lower estimates of the flow velocities as compared to feature tracking or Doppler measurements. The counter-streaming flows cover about 15-20% of the whole area of the EUV filament channel and are located in the central part of the spine. Conclusions. Compared to the ground-based observations, the absence of seeing effects in AIA observations reveal counter-streaming flows in the filament even with a moderate image scale of 0 '.6 pixel(-1). Using a contrast enhancement technique, these flows can be detected and quantified with LCT in different wavelengths. We confirm the omnipresence of counter-streaming flows also in giant quiet-Sun filaments.
Physical hydrogels with tunable stress-relaxation and excellent stress recovery are formed from anionic polyurethanes via addition of acids, monovalent salts, or divalent salts. Gel properties can be widely adjusted through pH, salt valence, salt concentration, and monomer composition. We propose and investigate a novel gelation mechanism based on a colloidal system interacting through charge repulsion and chrage shielding, allowing a broad use of the material, from acidic (pH 4–5.5) to pH-neutral hydrogels with Young's moduli ranging from 10 to 140 kPa.
All outer planets in the Solar System are surrounded by a ring system. Many of these rings are dust rings or they contain at least a high proportion of dust. They are often formed by impacts of micro-meteoroids onto embedded bodies. The ejected material typically consists of micron-sized charged particles, which are susceptible to gravitational and non-gravitational forces. Generally, detailed information on the dynamics and distribution of the dust requires expensive numerical simulations of a large number of particles. Here we develop a relatively simple and fast, semi-analytical model for an impact-generated planetary dust ring governed by the planet’s gravity and the relevant perturbation forces for the dynamics of small charged particles. The most important parameter of the model is the dust production rate, which is a linear factor in the calculation of the dust densities. We apply our model to dust ejected from the Galilean satellites using production rates obtained from flybys of the dust sources. The dust densities predicted by our model are in good agreement with numerical simulations and with in situ measurements by the Galileo spacecraft. The lifetimes of large particles are about two orders of magnitude greater than those of small ones, which implies a flattening of the size distribution in circumplanetary space. Information about the distribution of circumplanetary dust is also important for the risk assessment of spacecraft orbits in the respective regions.
Coronal mass ejections are often considered to result from the full eruption of a magnetic flux rope (MFR). However, it is recognized that, in some events, the MFR may release only part of its flux, with the details of the implied splitting not completely established due to limitations in observations. Here, we investigate two partial eruption events including a confined and a successful one. Both partial eruptions are a consequence of the vertical splitting of a filament-hosting MFR involving internal reconnection. A loss of equilibrium in the rising part of the magnetic flux is suggested by the impulsive onset of both events and by the delayed onset of reconnection in the confined event. The remaining part of the flux might be line-tied to the photosphere in a bald patch (BP) separatrix surface, and we confirm the existence of extended BP sections for the successful eruption. The internal reconnection is signified by brightenings in the body of one filament and between the rising and remaining parts of both filaments. It evolves quickly into the standard current sheet reconnection in the wake of the eruption. As a result, regardless of being confined or successful, both eruptions produce hard X-ray sources and flare loops below the erupting but above the surviving flux, as well as a pair of flare ribbons enclosing the latter.
We consider the behavior of spherically symmetric Einasto halos composed of gravitating particles in the Fokker-Planck approximation. This approach allows us to consider the undesirable influence of close encounters in the N-body simulations more adequately than the generally accepted criteria. The Einasto profile with index n approximate to 6 is a stationary solution of the Fokker-Planck equation in the halo center. There are some reasons to believe that the solution is an attractor. Then the Fokker-Planck diffusion tends to transform a density profile to the equilibrium one with the Einasto index n approximate to 6. We suggest this effect as a possible reason why the Einasto index n approximate to 6 occurs so frequently in the interpretation of N-body simulation results. The results obtained cast doubt on generally accepted criteria of N-body simulation convergence.
Quantum steering describes how local actions on a quantum system can affect another, spacelike separated, quantum state. Lately, quantum steering has been formulated also for timelike scenarios and for quantum channels. We approach all the three scenarios as one using tools from Stinespring dilations of quantum channels. By applying our technique we link all three steering problems one-to-one with the incompatibility of quantum measurements, a result formerly known only for spatial steering. We exploit this connection by showing how measurement uncertainty relations can be used as tight steering inequalities for all three scenarios. Moreover, we show that certain notions of temporal and spatial steering are fully equivalent and prove a hierarchy between temporal steering and macrorealistic hidden variable models.
Magnetic nanoparticles are met across many biological species ranging from magnetosensitive bacteria, fishes, bees, bats, rats, birds, to humans. They can be both of biogenetic origin and due to environmental contamination, being either in paramagnetic or ferromagnetic state. The energy of such naturally occurring single-domain magnetic nanoparticles can reach up to 10-20 room k(B)T in the magnetic field of the Earth, which naturally led to supposition that they can serve as sensory elements in various animals. This work explores within a stochastic modeling framework a fascinating hypothesis of magnetosensitive ion channels with magnetic nanoparticles serving as sensory elements, especially, how realistic it is given a highly dissipative viscoelastic interior of living cells and typical sizes of nanoparticles possibly involved.
Saturn’s main rings are composed of >95% water ice, and the nature of the remaining few percent has remained unclear. The Cassini spacecraft’s traversals between Saturn and its innermost D ring allowed its cosmic dust analyzer (CDA) to collect material released from the main rings and to characterize the ring material infall into Saturn. We report the direct in situ detection of material from Saturn’s dense rings by the CDA impact mass spectrometer. Most detected grains are a few tens of nanometers in size and dynamically associated with the previously inferred “ring rain.” Silicate and water-ice grains were identified, in proportions that vary with latitude. Silicate grains constitute up to 30% of infalling grains, a higher percentage than the bulk silicate content of the rings.
We recently discovered that the luminous radio-quiet (QSO) LBQS 0302-0019 at z=3.286 is likely accompanied by an obscured AGN at 20 kpc projected distance, which we dubbed Jil. It represents the tightest candidate obscured/unobscured dual AGN system at z >3. To verify the dual AGN scenario we obtained deep K-s band (rest-frame V band) imaging with the VLT/HAWK-I+GRAAL instrument at 0 '.4 resolution during science verification in January 2018. Indeed, we detect the individual host galaxies of the QSO and Jil with estimated stellar masses of log(M-*/M-circle dot)=11.4 +/- 0.5 and log(M-*/M-circle dot)=10.9 +/- 0.5, respectively. Near-IR spectra obtained with VLT-KMOS reveal a clear [O-III] lambda 5007 line detection at the location of Jil which does not contribute significantly to the Ks band flux. Both observations therefore corroborate the dual AGN scenario. A comparison to Illustris cosmological simulations suggests a parent halo mass of log(M-halo/M-*)=13.2 +/- 0.5 for this interacting galaxy system, corresponding to a very massive dark matter halo at that epoch.
The bowshocks of runaway stars had been theoretically proposed as gamma-ray sources. However, this hypothesis has not been confirmed by observations to date. In this paper, we present two runaway stars (lambda Cep and LS 2355) whose bowshocks are coincident with the unidentified Fermi gamma-ray sources 3FLG J2210.1+5925 and 3FGL J1128.7-6232, respectively. After performing a cross-correlation between different catalogs at distinct wavelengths, we found that these bowshocks are the most peculiar objects in the Fermi position ellipses. Then we computed the inverse Compton emission and fitted the Fermi data in order to test the viability of both runaway stars as potential counterparts of the two high-energy sources. We obtained very reasonable values for the fitted parameters of both stars. We also evaluated the possibility for the source 3FGL J1128.7-6232, which is positionally coincident with a H II region, to be the result of background cosmic-ray protons interacting with the matter of the cloud, as well as the probability of a pure chance association. We conclude that the gamma rays from these Fermi sources might be produced in the bowshocks of the considered runaway stars. In such a case, these would be the first sources of this class ever detected at gamma rays.
Aims. Combining high-resolution spectropolarimetric and imaging data is key to understanding the decay process of sunspots as it allows us to scrutinize the velocity and magnetic fields of sunspots and their surroundings. Methods. Active region NOAA 12597 was observed on 2016 September 24 with the 1.5-meter GREGOR solar telescope using high-spatial-resolution imaging as well as imaging spectroscopy and near-infrared (NIR) spectropolarimetry. Horizontal proper motions were estimated with local correlation tracking, whereas line-of-sight (LOS) velocities were computed with spectral line fitting methods. The magnetic field properties were inferred with the "Stokes Inversions based on Response functions" (SIR) code for the Si I and Ca I NIR lines. Results. At the time of the GREGOR observations, the leading sunspot had two light bridges indicating the onset of its decay. One of the light bridges disappeared, and an elongated, dark umbral core at its edge appeared in a decaying penumbral sector facing the newly emerging flux. The flow and magnetic field properties of this penumbral sector exhibited weak Evershed flow, moat flow, and horizontal magnetic field. The penumbral gap adjacent to the elongated umbral core and the penumbra in that penumbral sector displayed LOS velocities similar to granulation. The separating polarities of a new flux system interacted with the leading and central part of the already established active region. As a consequence, the leading spot rotated 55 degrees clockwise over 12 h. Conclusions. In the high-resolution observations of a decaying sunspot, the penumbral filaments facing the flux emergence site contained a darkened area resembling an umbral core filled with umbral dots. This umbral core had velocity and magnetic field properties similar to the sunspot umbra. This implies that the horizontal magnetic fields in the decaying penumbra became vertical as observed in flare-induced rapid penumbral decay, but on a very different time-scale.
Two-dimensional modeling of density and thermal structure of dense circumstellar outflowing disks
(2018)
Context. Evolution of massive stars is affected by a significant loss of mass either via (nearly) spherically symmetric stellar winds or by aspherical mass-loss mechanisms, namely the outflowing equatorial disks. However, the scenario that leads to the formation of a disk or rings of gas and dust around massive stars is still under debate. It is also unclear how various forming physical mechanisms of the circumstellar environment affect its shape and density, as well as its kinematic and thermal structure. Results. Our models show the geometric distribution and contribution of viscous heating that begins to dominate in the central part of the disk for mass-loss rates higher than (M) over dot greater than or similar to 10(-10) M-circle dot yr(-1). In the models of dense viscous disks with (M) over dot > 10(-8) M-circle dot yr(-1), the viscosity increases the central temperature up to several tens of thousands of Kelvins, however the temperature rapidly drops with radius and with distance from the disk midplane. The high mass-loss rates and high viscosity lead to instabilities with significant waves or bumps in density and temperature in the very inner disk region. Conclusions. The two-dimensional radial-vertical models of dense outflowing disks including the full Navier-Stokes viscosity terms show very high temperatures that are however limited to only the central disk cores inside the optically thick area, while near the edge of the optically thick region the temperature may be low enough for the existence of neutral hydrogen, for example.
In this paper we propose an algebraic formulation of group field theory and consider non-Fock representations based on coherent states. We show that we can construct representations with an infinite number of degrees of freedom on compact manifolds. We also show that these representations break translation symmetry. Since such representations can be regarded as quantum gravitational systems with an infinite number of fundamental pre-geometric building blocks, they may be more suitable for the description of effective geometrical phases of the theory.
Big data have become a critically enabling component of emerging mathematical methods aimed at the automated discovery of dynamical systems, where first principles modeling may be intractable. However, in many engineering systems, abrupt changes must be rapidly characterized based on limited, incomplete, and noisy data. Many leading automated learning techniques rely on unrealistically large data sets, and it is unclear how to leverage prior knowledge effectively to re-identify a model after an abrupt change. In this work, we propose a conceptual framework to recover parsimonious models of a system in response to abrupt changes in the low-data limit. First, the abrupt change is detected by comparing the estimated Lyapunov time of the data with the model prediction. Next, we apply the sparse identification of nonlinear dynamics (SINDy) regression to update a previously identified model with the fewest changes, either by addition, deletion, or modification of existing model terms. We demonstrate this sparse model recovery on several examples for abrupt system change detection in periodic and chaotic dynamical systems. Our examples show that sparse updates to a previously identified model perform better with less data, have lower runtime complexity, and are less sensitive to noise than identifying an entirely new model. The proposed abrupt-SINDy architecture provides a new paradigm for the rapid and efficient recovery of a system model after abrupt changes.
During the Ring Grazing orbits near the end of Cassini mission, the spacecraft crossed the equatorial plane near the orbit of Janus/Epimetheus (similar to 2.5 Rs). This region is populated with dust particles that can be detected by the Radio and Plasma Wave Science (RPWS) instrument via an electric field antenna signal. Analysis of the voltage waveforms recorded on the RPWS antennas provides estimations of the density and size distribution of the dust particles. Measured RPWS profiles, fitted with Lorentzian functions, are shown to be mostly consistent with the Cosmic Dust Analyzer, the dedicated dust instrument on board Cassini. The thickness of the dusty ring varies between 600 and 1,000 km. The peak location shifts north and south within 100 km of the ring plane, likely a function of the precession phase of Janus orbit.
Random multi-hopper model
(2018)
We develop a mathematical model considering a random walker with long-range hops on arbitrary graphs. The random multi-hopper can jump to any node of the graph from an initial position, with a probability that decays as a function of the shortest-path distance between the two nodes in the graph. We consider here two decaying functions in the form of Laplace and Mellin transforms of the shortest-path distances. We prove that when the parameters of these transforms approach zero asymptotically, the hitting time in the multi-hopper approaches the minimum possible value for a normal random walker. We show by computational experiments that the multi-hopper explores a graph with clusters or skewed degree distributions more efficiently than a normal random walker. We provide computational evidences of the advantages of the random multi-hopper model with respect to the normal random walk by studying deterministic, random and real-world networks.
Ground ice and sedimentary records of a pingo exposure reveal insights into Holocene permafrost, landscape and climate dynamics. Early to mid-Holocene thermokarst lake deposits contain rich floral and faunal paleoassemblages, which indicate lake shrinkage and decreasing summer temperatures (chironomid-based T-July) from 10.5 to 3.5 cal kyr BP with the warmest period between 10.5 and 8 cal kyr BP. Talik refreezing and pingo growth started about 3.5 cal kyr BP after disappearance of the lake. The isotopic composition of the pingo ice (delta O-18 - 17.1 +/- 0.6 parts per thousand, delta D -144.5 +/- 3.4 parts per thousand, slope 5.85, deuterium excess -7.7 +/- 1.5 parts per thousand) point to the initial stage of closed-system freezing captured in the record. A differing isotopic composition within the massive ice body was found (delta O-18 - 21.3 +/- 1.4 parts per thousand, delta D -165 +/- 11.5 parts per thousand, slope 8.13, deuterium excess 4.9 +/- 3.2 parts per thousand), probably related to the infill of dilation cracks by surface water with quasi-meteoric signature. Currently inactive syngenetic ice wedges formed in the thermokarst basin after lake drainage. The pingo preserves traces of permafrost response to climate variations in terms of ground-ice degradation (thermokarst) during the early and mid-Holocene, and aggradation (wedge-ice and pingo-ice growth) during the late Holocene.
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 observations with the Cosmic Origins Spectrograph (COS) onboard the Hubble Space Telescope of five star-forming galaxies at redshifts z in the range 0.2993-0.4317 and with high emission-line flux ratios O-32 = [O III]lambda 5007/[O II]lambda 3727 similar to 8-27 aiming to detect the Lyman continuum (LyC) emission. We detect LyC emission in all galaxies with the escape fractions f(esc)(LyC) in a range of 2-72 per cent. A narrow Ly alpha emission line with two peaks in four galaxies and with three peaks in one object is seen in medium-resolution COS spectra with a velocity separation between the peaks V-sep varying from similar to 153 to similar to 345 km s(-1). We find a general increase of the LyC escape fraction with increasing O-32 and decreasing stellar mass M-star, but with a large scatter of f(esc)(LyC). A tight anticorrelation is found between f(esc)(LyC) and V-sep making V-sep a good parameter for the indirect determination of the LyC escape fraction. We argue that one possible source driving the escape of ionizing radiation is stellar winds and radiation from hot massive stars.
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.
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.
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.
We present a sample of 34 weak metal line absorbers at z < 0.3 selected by the simultaneous >3σ detections of the Si iiλ1260 and C iiλ1334 absorption lines, with Wr(SiII)<0.2 Å and Wr(CII)<0.3 Å, in archival HST/COS spectra. Our sample increases the number of known low-z ‘weak absorbers’ by a factor of >5. The column densities of H i and low-ionization metal lines obtained from Voigt profile fitting are used to build simple photoionization models. The inferred densities and line-of-sight thicknesses of the absorbers are in the ranges of −3.3 < log nH/cm−3 < −2.4 and ∼1 pc–50 kpc (median ≈500 pc), respectively. Most importantly, 85 per cent (50 per cent) of these absorbers show a metallicity of [Si/H]>−1.0(0.0). The fraction of systems showing near-/supersolar metallicity in our sample is significantly higher than in the H i-selected sample of Wotta et al., and the galaxy-selected sample of Prochaska et al., of absorbers probing the circum-galactic medium at similar redshift. A search for galaxies has revealed a significant galaxy-overdensity around these weak absorbers compared to random positions with a median impact parameter of 166 kpc from the nearest galaxy. Moreover, we find the presence of multiple galaxies in ≈80 per cent of the cases, suggesting group environments. The observed dN/dz of 0.8 ± 0.2 indicates that such metal-enriched, compact, dense structures are ubiquitous in the haloes of low-z group galaxies. We suggest that these are transient structures that are related to galactic outflows and/or stripping of metal-rich gas from galaxies.
Recent theoretical models suggest that the early phase of galaxy formation could involve an epoch when galaxies are gas rich but inefficient at forming stars: a "dark galaxy" phase. Here, we report the results of our Multi-Unit Spectroscopic Explorer (MUSE) survey for dark galaxies fluorescently illuminated by quasars at z > 3. Compared to previous studies which are based on deep narrowband (NB) imaging, our integral field survey provides a nearly uniform sensitivity coverage over a large volume in redshift space around the quasars as well as full spectral information at each location. Thanks to these unique features, we are able to build control samples at large redshift distances from the quasars using the same data taken under the same conditions. By comparing the rest-frame equivalent width (EW0) distributions of the Ly alpha sources detected in proximity to the quasars and in control samples, we detect a clear correlation between the locations of high-EW0 objects and the quasars. This correlation is not seen in other properties, such as Ly alpha luminosities or volume overdensities, suggesting the possible fluorescent nature of at least some of these objects. Among these, we find six sources without continuum counterparts and EW0 limits larger than 240 angstrom that are the best candidates for dark galaxies in our survey at z > 3.5. The volume densities and properties, including inferred gas masses and star formation efficiencies, of these dark galaxy candidates are similar to those of previously detected candidates at z approximate to 2.4 in NB surveys. Moreover, if the most distant of these are fluorescently illuminated by the quasar, our results also provide a lower limit of t - 60 Myr on the quasar lifetime.
In two-dimensional reaction-diffusion systems, local curvature perturbations on traveling waves are typically damped out and vanish. However, if the inhibitor diffuses much faster than the activator, transversal instabilities can arise, leading from flat to folded, spatio-temporally modulated waves and to spreading spiral turbulence. Here, we propose a scheme to induce or inhibit these instabilities via a spatio-temporal feedback loop. In a piecewise-linear version of the FitzHugh-Nagumo model, transversal instabilities and spiral turbulence in the uncontrolled system are shown to be suppressed in the presence of control, thereby stabilizing plane wave propagation. Conversely, in numerical simulations with the modified Oregonator model for the photosensitive Belousov-Zhabotinsky reaction, which does not exhibit transversal instabilities on its own, we demonstrate the feasibility of inducing transversal instabilities and study the emerging wave patterns in a well-controlled manner.
We present a combination of first-principles and experimental results regarding the structural and magnetic properties of olivine-type LiFePO4 under pressure. Our investigations indicate that the starting Pbnm phase of LiFePO4 persists up to 70 GPa. Further compression leads to an isostructural transition in the pressure range of 70-75 GPa, inconsistent with a former theoretical study. Considering our first-principles prediction for a high-spin to low-spin transition of Fe2+ close to 72 GPa, we attribute the experimentally observed isostructural transition to a change in the spin state of Fe2+ in LiFePO4. Compared to relevant Fe-bearing minerals, LiFePO4 exhibits the largest onset pressure for a pressure-induced spin state transition.
Due to the relatively low rate of particle-particle collisions in the solar wind, kinetic instabilities (e.g., the mirror and firehose) play an important role in regulating large deviations from temperature isotropy. These instabilities operate in the high beta(parallel to) > 1 plasmas, and cannot explain the other limits of the temperature anisotropy reported by observations in the low beta beta(parallel to) < 1 regimes. However, the instability conditions are drastically modified in the presence of streaming (or counterstreaming) components, which are ubiquitous in space plasmas. These effects have been analyzed for the solar wind conditions in a large interval of heliospheric distances, 0.3-2.5 AU. It was found that proton counter-streams are much more crucial for plasma stability than electron ones. Moreover, new instability thresholds can potentially explain all observed bounds on the temperature anisotropy, and also the level of differential streaming in the solar wind.
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.
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.
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.
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.
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.
We investigate the NV absorption signal along the line of sight of background quasars, in order to test the robustness of the use of this ion as the criterion to select intrinsic (i.e. physically related to the quasar host galaxy) narrow absorption lines (NALs). We build composite spectra from a sample of similar to 1000 CIV absorbers, covering the redshift range 2.55 < z < 4.73, identified in 100 individual sight lines from the XQ-100 Legacy Survey. We detect a statistically significant NV absorption signal only within 5000 km s(-1) of the systemic redshift, z(em). This absorption trough is similar to 15 sigma when only CIV systems with N(CIV) > 10(14) cm(-2) are included in the composite spectrum. This result confirms that NV offers an excellent statistical tool to identify intrinsic systems. We exploit stacks of 11 different ions to show that the gas in proximity to a quasar exhibits a considerably different ionization state with respect to gas in the transverse direction and intervening gas at large velocity separations from the continuum source. Indeed, we find a dearth of cool gas, as traced by low-ionization species and in particular by MgII, in the proximity of the quasar. We compare our findings with the predictions given by a range of CLOUDY ionization models and find that they can be naturally explained by ionization effects of the quasar.
Although it is theoretically expected that all organic semiconductors support ambipolar charge transport, most organic transistors either transport holes or electrons effectively. Single-layer ambipolar organic field-effect transistors enable the investigation of different mechanisms in hole and electron transport in a single device since the device architecture provides a controllable planar pn-junction within the transistor channel. However, a direct comparison of the injection barriers and of the channel conductivities between electrons and holes within the same device cannot be measured by standard electrical characterization. This article introduces a novel approach for determining threshold gate voltages for the onset of the ambipolar regime from the position of the pn-junction observed by photoluminescence electromodulation (PLEM) microscopy. Indeed, the threshold gate voltage in the ambipolar bias regime considers a vanishing channel length, thus correlating the contact resistance. PLEM microscopy is a valuable tool to directly compare the contact and channel resistances for both carrier types in the same device. The reported results demonstrate that designing the metal/organic semiconductor interfaces by aligning the bulk metal Fermi levels to the highest occupied molecular orbital or lowest unoccupied molecular orbital levels of the organic semiconductors is a too simplistic approach for optimizing the charge injection process in organic field-effect devices.
We present a study of the [O III]/[O II] ratios of star-forming galaxies drawn from Multi-Unit Spectroscopic Explorer (MUSE) data spanning a redshift range 0.28 < z < 0.85. Recently discovered Lyman continuum (LyC) emitters have extremely high oxygen line ratios: [O III]lambda 5007/[O II]lambda lambda 3726, 3729 > 4. Here we aim to understand the properties and the occurrences of galaxies with such high line ratios. Combining data from several MUSE Guaranteed Time Observing (GTO) programmes, we select a population of star-forming galaxies with bright emission lines, from which we draw 406 galaxies for our analysis based on their position in the z-dependent star formation rate (SFR) stellar mass (M*) plane. Out of this sample 15 are identified as extreme oxygen emitters based on their [O III]/[O II] ratios (3.7%) and 104 galaxies have [O III]/[O II] > 1 (26%). Our analysis shows no significant correlation between M*, SFR, and the distance from the SFR M, relation with [O III]/[O II]. We find a decrease in the fraction of galaxies with [O III]/[O II] > 1 with increasing M*, however, this is most likely a result of the relationship between [O III]/[O II] and metallicity, rather than between [O III]/[O II] and M. We draw a comparison sample of local analogues with < z > 0.03 from the Sloan Digital Sky Survey, and find similar incidence rates for this sample. In order to investigate the evolution in the fraction of high [O III]/[O II] emitters with redshift, we bin the sample into three redshift subsamples of equal number, but find no evidence for a dependence on redshift. Furthermore, we compare the observed line ratios with those predicted by nebular models with no LyC escape and find that most of the extreme oxygen emitters can be reproduced by low metallicity models. The remaining galaxies are likely LyC emitter candidates.
Plain Language Summary Cassini flew through the gap between Saturn and its rings for 22 times before plunging into the atmosphere of Saturn, ending its 20-year mission. The radio and plasma waves instrument on board Cassini helped quantify the dust hazard in this previously unexplored region. The measured density of large dust particles was much lower than expected, allowing high-value science observations during the subsequent Grand Finale orbits.
Ice-core-based records of isotopic composition are a proxy for past temperatures and can thus provide information on polar climate variability over a large range of timescales. However, individual isotope records are affected by a multitude of processes that may mask the true temperature variability. The relative magnitude of climate and non-climate contributions is expected to vary as a function of timescale, and thus it is crucial to determine those temporal scales on which the actual signal dominates the noise. At present, there are no reliable estimates of this timescale dependence of the signal-to-noise ratio (SNR). Here, we present a simple method that applies spectral analyses to stable-isotope data from multiple cores to estimate the SNR, and the signal and noise variability, as a function of timescale. The method builds on separating the contributions from a common signal and from local variations and includes a correction for the effects of diffusion and time uncertainty. We apply our approach to firn-core arrays from Dronning Maud Land (DML) in East Antarctica and from the West Antarctic Ice Sheet (WAIS). For DML and decadal to multi-centennial timescales, we find an increase in the SNR by nearly 1 order of magnitude (similar to 0.2 at decadal and similar to 1.0 at multi-centennial scales). The estimated spectrum of climate variability also shows increasing variability towards longer timescales, contrary to what is traditionally inferred from single records in this region. In contrast, the inferred variability spectrum for WAIS stays close to constant over decadal to centennial timescales, and the results even suggest a decrease in SNR over this range of timescales. We speculate that these differences between DML and WAIS are related to differences in the spatial and temporal scales of the isotope signal, highlighting the potentially more homogeneous atmospheric conditions on the Antarctic Plateau in contrast to the marine-influenced conditions on WAIS. In general, our approach provides a methodological basis for separating local proxy variability from coherent climate variations, which is applicable to a large set of palaeoclimate records.
We report the discovery of six spatially extended (10-100 kpc) line-emitting nebulae in the z approximate to 0.57 galaxy group hosting PKS 0405-123, one of the most luminous quasars at z < 1. The discovery is enabled by the Multi Unit Spectroscopic Explorer and provides tantalizing evidence connecting large-scale gas streams with nuclear activity on scales of <10 proper kpc (pkpc). One of the nebulae exhibits a narrow, filamentary morphology extending over 50 pkpc toward the quasar with narrow internal velocity dispersion (50 km s(-1)) and is not associated with any detected galaxies, consistent with a cool intragroup medium filament. Two of the nebulae are 10 pkpc north and south of the quasar with tidal-arm-like morphologies. These two nebulae, along with a continuum-emitting arm extending 60 pkpc from the quasar, are signatures of interactions that are expected to redistribute angular momentum in the host interstellar medium (ISM) to facilitate star formation and quasar fueling in the nucleus. The three remaining nebulae are among the largest and most luminous [O III] emitting "blobs" known (1400-2400 pkpc(2)) and correspond both kinematically and morphologically to interacting galaxy pairs in the quasar host group, consistent with arising from stripped ISM rather than large-scale quasar outflows. The presence of these large- and small-scale nebulae in the vicinity of a luminous quasar bears significantly on the effect of large-scale environment on galaxy and black hole fueling, providing a natural explanation for the previously known correlation between quasar luminosity and cool circumgalactic medium.
We aim to find homovalent alternatives for lead and iodine in CH3NH3PbI3 perovskites that show bandgaps suitable for building novel perovskite-perovskite tandem solar cells. To this end, we employ a computational screening for materials with a bandgap between 1.0 eV and 1.9 eV, using density functional theory calculations at the Perdew-Burke-Ernzerhof and Heyd-Scuseria-Ernzerhof levels of theory. The room-temperature stability of the materials and their phases that satisfy the bandgap criteria is evaluated based on the empirical Goldschmidt tolerance factor. In total, our screening procedure covers 30 different perovskite structures in three phases (orthorhombic, cubic, tetragonal) each. We find 9 materials that are predicted to be stable at room temperature and to have bandgaps in an energy range suitable for application in tandem solar cells. Published by AIP Publishing.
The extratropical stratosphere in boreal winter is characterized by a strong circumpolar westerly jet, confining the coldest temperatures at high latitudes. The jet, referred to as the stratospheric polar vortex, is predominantly zonal and centered around the pole; however, it does exhibit large variability in wind speed and location. Previous studies showed that a weak stratospheric polar vortex can lead to cold-air outbreaks in the midlatitudes, but the exact relationships and mechanisms are unclear. Particularly, it is unclear whether stratospheric variability has contributed to the observed anomalous cooling trends in midlatitude Eurasia. Using hierarchical clustering, we show that over the last 37 years, the frequency of weak vortex states in mid- to late winter (January and February) has increased, which was accompanied by subsequent cold extremes in midlatitude Eurasia. For this region, 60% of the observed cooling in the era of Arctic amplification, that is, since 1990, can be explained by the increased frequency of weak stratospheric polar vortex states, a number that increases to almost 80% when El Nino-Southern Oscillation (ENSO) variability is included as well.
Hot localised charge carriers on the Si(111)-7x7 surface are modelled by small charged clusters. Such resonances induce non-local desorption, i.e. more than 10 nm away from the injection site, of chlorobenzene in scanning tunnelling microscope experiments. We used such a cluster model to characterise resonance localisation and vibrational activation for positive and negative resonances recently. In this work, we investigate to which extent the model depends on details of the used cluster or quantum chemistry methods and try to identify the smallest possible cluster suitable for a description of the neutral surface and the ion resonances. Furthermore, a detailed analysis for different chemisorption orientations is performed. While some properties, as estimates of the resonance energy or absolute values for atomic changes, show such a dependency, the main findings are very robust with respect to changes in the model and/or the chemisorption geometry. [GRAPHICS] .