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At least 955 records · Page 53

Site-selective spectroscopy with depth resolution using resonant x-ray reflectometry

Combining dissimilar transition metal oxides (TMOs) into artificial heterostructures enables to create electronic interface systems with new electronic properties that do not exist in bulk. A detailed understanding of how such interfaces can be used to tailor physical properties requires characterization techniques capable to yield interface sensitive spectroscopic information with monolayer resolution. In this regard resonant x-ray reflectivity (RXR) provides a unique experimental tool to achieve exactly this. It yields the element specific electronic depth profiles in a non-destructive manner. Here, using a YBa 2 Cu 3 O 7-δ (YBCO) thin film, we demonstrate that RXR is further capable to deliver site selectivity. By applying a new analysis scheme to RXR, which takes the atomic structure of the material into account, together with information of the local charge anisotropy of the resonant ions, we obtained spectroscopic information from the different Cu sites (e.g., chain and plane) throughout the film profile. As a result, while most of the film behaves bulk-like, we observe that the Cu-chains at the surface show characteristics of electron doping, whereas the Cu-planes closest to the surface exhibit an orbital reconstruction similar to that observed at La 1-x Ca x MnO 3 /YBCO interfaces.

36 MATERIALS SCIENCE↗

Permeability-controlled migration of induced seismicity to deeper depths near Venus in North Texas

Abstract Migration of seismic events to deeper depths along basement faults over time has been observed in the wastewater injection sites, which can be correlated spatially and temporally to the propagation or retardation of pressure fronts and corresponding poroelastic response to given operation history. The seismicity rate model has been suggested as a physical indicator for the potential of earthquake nucleation along faults by quantifying poroelastic response to multiple well operations. Our field-scale model indicates that migrating patterns of 2015–2018 seismicity observed near Venus, TX are likely attributed to spatio-temporal evolution of Coulomb stressing rate constrained by the fault permeability. Even after reducing injection volumes since 2015, pore pressure continues to diffuse and steady transfer of elastic energy to the deep fault zone increases stressing rate consistently that can induce more frequent earthquakes at large distance scales. Sensitivity tests with variation in fault permeability show that (1) slow diffusion along a low-permeability fault limits earthquake nucleation near the injection interval or (2) rapid relaxation of pressure buildup within a high-permeability fault, caused by reducing injection volumes, may mitigate the seismic potential promptly.

58 GEOSCIENCES↗

In-depth investigation on quantitative characterization of pyrolysis oil by 31 P NMR

The characterization of different heteroatom functional groups by employing 31 P NMR has been developed for almost 30 years. In this study, an in-depth investigation of this commonly used method has been accomplished for the analysis of pyrolysis oil. Several commonly used internal standards for 31 P NMR have been examined by in situ monitoring. The results indicated that endo-N-hydroxy-5-norbornene-2,3-dicarboximide (NHND) is not stable after a long period of storage or experiment (>12 hours), but both cyclohexanol and triphenylphosphine oxide (TPPO) can be used as internal standards if a long experiment or storage is required. The pyrolysis oil has also been investigated by both short time (16 hours) in situ monitoring and long time (14 days) ex situ monitoring. The results showed that aliphatic OH, carboxylic acids and water contents are not very stable after 2 hours, and thus a short time of preparation, storage, and experiment need to be considered to ensure a precise quantitative measurement. The decomposition products are still unclear, but some preliminary investigations for different acids, (e.g. formic acid) have been accomplished. The results indicated that the aromatic carboxylic acids (benzoic acid and vanillic acid) are more stable than formic acid and acetic acid. Interestingly, the formic acid will even decompose to some other compounds at the very beginning of the in situ monitoring test. Further characterization found that water is one of the major products for the decomposition of formic acid in the 31 P NMR solution. Finally, as far as we know, this is the first report on such time-dependent changes when using 31 P NMR to analyze the pyrolysis oil, and these results show that proper application of this method is essential to achieve reliable quantitative data.

09 BIOMASS FUELS↗

In-depth investigation of large axial magnetic anisotropy in monometallic 3d complexes using frequency domain magnetic resonance and ab initio methods: a study of trigonal bipyramidal Co( II )

The magnetic properties of 3d monometallic complexes can be tuned through geometric control, owing to their synthetic accessibility and relative structural simplicity. Monodentate ligands offer great potential for fine-tuning the coordination environment to engineer both the axial and rhombic zero-field splitting (ZFS) parameters. In [CoCl 3 (DABCO)(HDABCO)] ( 1 ), the trigonal bipyramidal Co( II ) centre has two bulky axial ligands and three equatorial chloride ligands. An in-depth experimental and theoretical study of 1 reveals a large easy-plane magnetic anisotropy (+ve D ) with a negligible rhombic zero-field splitting ( E ) due to the strict axial symmetry imposed by the C 3 symmetric ligand and trigonal space group. The large easy-plane magnetic anisotropy ( D = +44.5 cm -1 ) is directly deduced using high-field EPR and frequency-domain magnetic resonance (FDMR) studies. Ab initio calculations reveal a large positive contribution to the D term arising from ground state/excited state mixing of the 4 E" states at ~4085 cm -1 and a minor contribution from the spin–flip transition as well. The nature of the slow relaxation in 1 is elucidated through analysis of the rates of relaxation of magnetisation, taking into account Raman and direct spin–lattice relaxation processes and Quantum Tunnelling of the Magnetisation (QTM). The terms relating to the direct process and QTM were found based on the fit of the field-dependence of $τ$ at 2 K. Subsequently, these were used as fixed parameters in the fit of the temperature-dependence of $τ$ to obtain the Raman terms. This experimental–theoretical investigation provides further insight into the power of FDMR and ab initio methods for the thorough investigation of magnetic anisotropy. Thus, these results contribute to design criteria for high magnetic anisotropy systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Planck intermediate results: XLVI. Reduction of large-scale systematic effects in HFI polarization maps and estimation of the reionization optical depth

This study describes the identification, modelling, and removal of previously unexplained systematic effects in the polarization data of the Planck High Frequency Instrument (HFI) on large angular scales, including new mapmaking and calibration procedures, new and more complete end-to-end simulations, and a set of robust internal consistency checks on the resulting maps. These maps, at 100, 143, 217, and 353 GHz, are early versions of those that will be released in final form later in 2016. The improvements allow us to determine the cosmic reionization optical depth τ using, for the first time, the low-multipole EE data from HFI, reducing significantly the central value and uncertainty, and hence the upper limit. Two different likelihood procedures are used to constrain τ from two estimators of the CMB E- and B-mode angular power spectra at 100 and 143 GHz, after debiasing the spectra from a small remaining systematic contamination. These all give fully consistent results. A further consistency test is performed using cross-correlations derived from the Low Frequency Instrument maps of the Planck 2015 data release and the new HFI data. For this purpose, end-to-end analyses of systematic effects from the two instruments are used to demonstrate the near independence of their dominant systematic error residuals. The tightest result comes from the HFI-based τ posterior distribution using the maximum likelihood power spectrum estimator from EE data only, giving a value 0.055 ± 0.009. Finally, in a companion paper these results are discussed in the context of the best-fit PlanckΛCDM cosmological model and recent models of reionization.

79 ASTRONOMY AND ASTROPHYSICS↗

The eROSITA Final Equatorial-Depth Survey (eFEDS)

Theoretical models of the co-evolution of galaxies and active galactic nuclei (AGNs) ascribe an important role in the feedback process to a short, luminous, obscured, and dust-enshrouded phase during which the accretion rate of the supermassive black hole is expected to be at its maximum and the associated AGN-driven winds are also predicted to be maximally developed. Here, to test this scenario, we have isolated a textbook candidate from the eROSITA Final Equatorial-Depth Survey (eFEDS) obtained within the performance and verification program of the eROSITA telescope on board the Spectrum Röntgen Gamma mission. From an initial catalogue of 246 hard X-ray selected sources that are matched with the photometric and spectroscopic information available within the eROSITA and Hyper Suprime-Cam consortia, three candidates quasars in the feedback phase have been isolated applying a diagnostic proposed previously. Only one source (eFEDS J091157.4+014327) has a spectrum already available (from SDSS-DR16, z = 0.603) and it unambiguously shows abroad component (full width at half maximum ~1650 kms –1 ) in the [OIII]5007 line. The associated observed L [OIII] is ~2.6 × 10 42 erg s –1 , one to two orders of magnitude higher than that observed in local Seyfert galaxies and comparable to those observed in a sample of z ~ 0.5 type 1 quasars. From the multi-wavelength data available, we derive an Eddington ratio (L bol /L Edd ) of ~0.25 and a bolometric correction in the hard X-ray band of k bol ~ 10, which is lower than the corrections observed for objects at similar bolometric luminosity. These properties, along with the outflow, the high X-ray luminosity, the moderate X-ray obscuration (L X ~10 44.8 erg s –1 , N H ~2.7 × 10 22 cm –2 ), and the red optical colour, all match the prediction of quasars in the feedback phase from merger-driven models. Forecasting to the full eROSITA all-sky survey with its spectroscopic follow-up, we predict that by the end of 2024, we will have a sample of few hundred such objects at z= 0.5–2.

79 ASTRONOMY AND ASTROPHYSICS↗

The eROSITA Final Equatorial-Depth Survey (eFEDS): The AGN catalog and its X-ray spectral properties

The eROSITA Final Equatorial Depth Survey (eFEDS), observed with eROSITA ahead of its planned 4-yr all-sky survey, is the largest contiguous-field X-ray survey at present. It yielded a large sample of X-ray sources with very rich multiband photometric and spectroscopic coverage. We present here the eFEDS active galactic nuclei (AGN) catalog and the eROSITA X-ray spectral properties of the eFEDS sources. Using a Bayesian method, we performed a systematic X-ray spectral analysis for all the eFEDS sources. We adopted multiple spectral models, including single-component power-law or hot-plasma models and double-component models of a power law plus soft excess. We investigated the capacity of eROSITA X-ray spectra for constraining AGN spectral shapes through a detailed analysis of the posterior parameter probability distribution functions. Hierarchical Bayesian modeling was used to recover the spectral parameter distribution of the sample. The source fluxes and luminosities were measured from the posterior of the spectral fitting. The eFEDS AGN catalog (22 079 sources) comprises ~80% of the eFEDS point sources. Despite a large number of faint sources, our spectral fitting provides reasonable measurements of spectral shapes and intrinsic luminosities for a majority of the sources. Because of sample selection bias, this AGN catalog is dominated by X-ray unobscured sources, with an obscured (logN H > 21.5) fraction of 8%; the power-law emission of the hot corona is also relatively soft, with a typical slope of 2.0. For type-I AGN, the X-ray emission is well correlated with the UV emission with the usual anticorrelation between the X-ray to UV spectral slope α OX and the UV luminosity. The X-ray spectral properties measured with various models are presented for all the eFEDS sources.

79 ASTRONOMY AND ASTROPHYSICS↗

eROSITA Final Equatorial-Depth Survey (eFEDS) eFEDS X-ray view of WERGS radio galaxies selected by the Subaru/HSC and VLA/FIRST survey

We constructed the eROSITA X-ray catalog of radio galaxies discovered by the WERGS survey, made by cross-matching the wide area Subaru/Hyper Suprime-Cam (HSC) optical survey and VLA/FIRST 1.4 GHz radio survey. We report finding 393 eROSITA detected radio galaxies in the 0.5-2 keV band in the eFEDS field covering 140 deg 2 . Thanks to the wide and medium depth eFEDS X-ray survey down to f 0.5 - 2 keV = 6.5 × 10 -15 erg s -1 cm -2 , the sample contains the rare and most X-ray luminous radio galaxies above the knee of the X-ray luminosity function, spanning 44 < log(L 0.5-2 keV (abs,corr) /erg s -1 ) < 46.5 at 1 < z < 4. The sample also contains the sources around and below the knee for the sources 41 < log(L 0.5-2 keV (abs,corr) /erg s -1 ) < 45 at z < 1. Based on the X-ray properties obtained by the spectral fitting, 37 sources show obscured active galactic nucleus (AGN) signatures with log(N H /cm -2 ) > 22. These obscured and radio AGN reside in 0.4 < z < 3.2, indicating that they are obscured counterparts of the radio-loud quasar, which were missed in the previous optical quasar surveys. By combining radio and X-ray luminosities, we also investigated the jet production efficiency η jet = η rad P jet /L AGN,bol by utilizing the jet power of P jet . We find that there are 14 sources with extremely high jet production efficiency at η jet ≈ 1. This high η jet value might be a result of the decreased radiation efficiency of η rad < 0.1, due to the low accretion rate for those sources, and/or of the boosting due to the decline of L AGN,bol by a factor of 10-100 by keeping P jet constant in the previous Myr, indicating the experience of the AGN feedback. Finally, inferring the BH masses from the stellar mass, we find that X-ray luminous sources show the excess of the radio emission with respect to the value estimated from the fundamental plane. This radio emission excess cannot be explained by the Doppler boosting alone, and therefore the disk–jet connection of X-ray luminous eFEDS-WERGS is fundamentally different from the conventional fundamental plane which mainly covers the low-accretion regime.

79 ASTRONOMY AND ASTROPHYSICS↗

Inference of the optical depth to reionization τ from Planck CMB maps with convolutional neural networks

The optical depth to reionization, τ, is the least constrained parameter of the cosmological Λ cold dark matter (ΛCDM) model. To date, its most precise value is inferred from large-scale polarized cosmic microwave background (CMB) power spectra from the High Frequency Instrument (HFI) aboard the Planck satellite. These maps are known to contain significant contamination by residual non-Gaussian systematic effects, which are hard to model analytically. Therefore, robust constraints on τ are currently obtained through an empirical cross-spectrum likelihood built from simulations. In this paper, we present a likelihood-free inference of τ from polarized Planck HFI maps which, for the first time, is fully based on neural networks (NNs). NNs have the advantage of not requiring an analytical description of the data and can be trained on state-of-the-art simulations, combining the information from multiple channels. By using Gaussian sky simulations and Planck SRoll2 simulations, including CMB, noise, and residual instrumental systematic effects, we trained, tested, and validated NN models considering different setups. We inferred the value of τ directly from Stokes Q and U maps at ~4° pixel resolution, without computing angular power spectra. On Planck data, we obtained τ NN = 0.0579 ± 0.0082, which is compatible with current EE cross-spectrum results but with a ~30% larger uncertainty, which can be assigned to the inherent nonoptimality of our estimator and to the retraining procedure applied to avoid biases. While this paper does not improve on current cosmological constraints on τ, our analysis represents a first robust application of NN-based inference on real data, and highlights its potential as a promising tool for complementary analysis of near-future CMB experiments, also in view of the ongoing challenge to achieve the first detection of primordial gravitational waves.

79 ASTRONOMY AND ASTROPHYSICS↗

Optical Instruments Synergy in Determination of Optical Depth of Thin Clouds

Optically thin clouds have a strong radiative effect and need to be represented accurately in climate models. Cloud optical depth of thin clouds was retrieved using high resolution digital photography, lidar, and a radiative transfer model. The Doppler Lidar was operated at 1.5 μm, minimizing return from Rayleigh scattering, emphasizing return from aerosols and clouds. This approach examined cloud structure on scales 3 to 5 orders of magnitude finer than satellite products, opening new avenues for examination of cloud structure and evolution.

54 ENVIRONMENTAL SCIENCES↗

Skin depth criterion for foil thickness in laser pressure acceleration of monoenergetic ions

An analytical formalism is developed to study the nonlinear laser penetration through radiation pressure accelerated thin foils, employed to produce high energy ions. We include the effects of relativistic mass increase and nonuniform electron density compression due to the ponderomotive force in plasma permittivity. For foils like diamond the usual optimum foil thickness l{sub opt}={lambda}{sub L}n{sub cr}a{sub 0}/{pi}n{sub 0} (where {lambda}{sub L} and a{sub 0} are the wavelength and normalized amplitude of the laser), at which the ponderomotive force on electrons balances the space charge force due to the ions left behind, is significantly below the skin depth unless the laser intensity is excessively large and significant laser transmission through the foil reduces the radiation pressure on it. The reflection coefficient decreases with laser field strength, though the ponderomotive force led electron compression tends to raise it. The reflection coefficient also decreases significantly with foil velocity, which is a sensitive function of laser field strength and foil thickness.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Magnetometry and transport data complement polarized neutron reflectometry in magnetic depth profiling

Exchange coupled magnetic hard layer/soft layer thin films show a variety of complex magnetization reversal mechanisms depending on the hierarchy of interaction strengths within and between the films. Magnetization reversal can include uniform rotation, soft layer biasing, as well as exchange spring behavior. We investigate the magnetization reversal of a CoPt/Permalloy/Ta/Permalloy heterostructure. Here, Stoner-Wohlfarth-type uniform magnetization rotation of the virtually free Permalloy layer and exchange spring behavior of the strongly pinned Permalloy layer are found in the same sample. We investigate the complex magnetization reversal by polarized neutron reflectometry, magnetometry, and magneto-transport. The synergy of combining these experimental methods together with theoretical modeling is key to obtain the complete quantitative depth resolved information of the magnetization reversal processes for a multilayer of mesoscopic thickness.

36 MATERIALS SCIENCE↗

A measurement of the muon-induced neutron yield in lead at a depth of 2850 m water equivalent

We present results from the measurement of the neutron production rate in lead by high energy cosmic-ray muons at a depth of 2850 m water equivalent (mean muon energy of 260 GeV). A tonne-scale highly segmented plastic scintillator detector was utilised to detect both the energy depositions from the traversing muons as well as the delayed radiative capture signals of the induced neutrons. Complementary Monte Carlo simulations reproduce well the distributions of muons and detected muon-induced neutrons. Absolute agreement between simulation and data is of the order of 25%. By comparing the measured and simulated neutron capture rates a neutron yield in pure lead of (5.78{sub −0.28}{sup +0.21})×10{sup −3} neutrons/muon/(g/cm{sup 2}) has been obtained.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Measurement of shorter-than-skin-depth acoustic pulses in a metal film via transient reflectivity

The detection of ultrashort laser-generated acoustic pulses at a metal surface and the reconstruction of the acoustic strain profile are reported on. A 2 ps-long acoustic pulse generated in an SrRuO 3 layer propagates through an adjacent gold layer and is detected at its surface by a reflected probe pulse. We show that the intricate shape of the transient reflectivity waveform and the ability to resolve acoustic pulses shorter than the optical skin depth are controlled by a single parameter, which is determined by the ratio of the real and imaginary parts of the photoelastic constant of the material. Finally, we reveal a Fourier transform-based algorithm that can be used to extract acoustic strain profiles from transient reflectivity measurements.

36 MATERIALS SCIENCE↗

Probing material nonlinearity at various depths by time reversal mirrors

In this Letter, the time reversal mirror is used to focus elastic energy at a prescribed location and to analyze the amplitude dependence of the focus signal, thus providing the nonlinearity of the medium. By varying the frequency content of the focused waveforms, the technique can be used to probe the surface, by penetrating to a depth defined by the wavelength of the focused waves. The validity of this concept is shown in the presence of gradual and distributed damage in concrete by comparing actual results with a reference nonlinear measurement and X ray tomography images.

36 MATERIALS SCIENCE↗

An in-depth analysis of the physico-mechanical properties imparted by agricultural fibers and food processing residues in polypropylene biocomposites

The use of agricultural and food processing residues as potential reinforcements in plastics has been extensively studied. However, there is a large variation in the mechanical performance of agricultural fiber-based biocomposites due to different processing materials and parameters. An in-depth comparison of the resulting effect of the agricultural filler on the matrix is often not possible given the discrepancy in processing conditions. This study seeks to determine the intrinsic properties of agricultural fibers and food processing residues for their use in polypropylene biocomposites based on a standardization of experimental design. The effect of 25wt% loading of miscanthus, fall-and spring-harvest switchgrass, wheat straw, oat hull, soy hull, soy stalk, hemp and flax on the physico-mechanical properties of polypropylene biocomposites was investigated. The addition of fiber led to an improvement in flexural strength, flexural modulus, and tensile modulus, and a general decrease in tensile strength at yield, elongation at break and Izod impact strength. Scanning electron microscopy highlighted the interfacial adhesion, orientation and distribution of the fibers within the matrix, confirming that fiber length and dispersion within the matrix are positively correlated with mechanical properties. The crystallization of the polypropylene phase and a compositional analysis of the agricultural fibers and processing residues were also compared to offer insight into the effect of the filler’s intrinsic properties on the resulting material performance.

36 MATERIALS SCIENCE↗

Formation of blade and slot die coated small molecule multilayers for OLED applications studied theoretically and by XPS depth profiling

Slot die coaters especially designed for low material consumption and doctor blades were used to process small molecule solutions for organic light-emitting diodes (OLEDs). Optimum process parameters were developed for the large-scale coating techniques to generate stable single and multiple layers only a few nanometers thick. Achieving a multilayer architecture for solution-processed OLEDs is the most challenging step. X-ray photoelectron spectroscopy sputter depth profiling was performed to determine defined interfaces between coated organic layers. Commercially available small molecules NPB (N,N’-Di(1-naphthyl)-N,N’-diphenyl-(1,1’-biphenyl)-4,4’-diamine) and BAlq (Bis(8-hdroxy-2methylquinoline)-(4-phenylphenoxy)aluminum), originally developed for vacuum deposition, were used as hole, respectively electron transport material. Defined double-layers were processed with both scalable coating methods using the orthogonal solvent approach. The use of non-orthogonal solvents resulted in complete intermixing of the material. The results are explained by calculations of solubilities and simulating drying and diffusion kinetics of the small molecule solutions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗