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  • Other Sources  (112)
  • 5 Abbey Square, Chester, Cheshire CH1 2HU, England  (38)
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  • English  (112)
  • 1
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    INSIGHT: in situ heuristic tool for the efficient reduction of grazing‐incidence X‐ray scattering data (2024)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2024-04-25
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉〈italic〉INSIGHT〈/italic〉 is a Python‐based software tool for processing and reducing 2D grazing‐incidence wide‐ and small‐angle X‐ray scattering (GIWAXS/GISAXS) data. It offers the geometric transformation of the 2D GIWAXS/GISAXS detector image to reciprocal space, including vectorized and parallelized pixel‐wise intensity correction calculations. An explicit focus on efficient data management and batch processing enables full control of large time‐resolved synchrotron and laboratory data sets for a detailed analysis of kinetic GIWAXS/GISAXS studies of thin films. It processes data acquired with arbitrarily rotated detectors and performs vertical, horizontal, azimuthal and radial cuts in reciprocal space. It further allows crystallographic indexing and GIWAXS pattern simulation, and provides various plotting and export functionalities. Customized scripting offers a one‐step solution to reduce, process, analyze and export findings of large 〈italic〉in situ〈/italic〉 and 〈italic〉operando〈/italic〉 data sets.〈/p〉
    Keywords: ddc:548 ; grazing‐incidence X‐ray scattering ; time‐resolved studies ; in situ studies ; operando studies ; computer programs
    Language: English
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  • 2
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    Crystal diffraction prediction and partiality estimation using Gaussian basis functions (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-07-04
    Description: The recent diversification of macromolecular crystallographic experiments including the use of pink beams, convergent electron diffraction and serial snapshot crystallography has shown the limitations of using the Laue equations for diffraction prediction. This article gives a computationally efficient way of calculating approximate crystal diffraction patterns given varying distributions of the incoming beam, crystal shapes and other potentially hidden parameters. This approach models each pixel of a diffraction pattern and improves data processing of integrated peak intensities by enabling the correction of partially recorded reflections. The fundamental idea is to express the distributions as weighted sums of Gaussian functions. The approach is demonstrated on serial femtosecond crystallography data sets, showing a significant decrease in the required number of patterns to refine a structure to a given error.
    Description: Reflection position, size and shape prediction and partiality estimation of crystal diffraction by integrating using a Gaussian basis are described.
    Keywords: ddc:548 ; partiality estimation ; diffraction prediction ; merging ; serial snapshot crystallography
    Language: English
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  • 3
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    In situ neutron diffraction for analysing complex coarse‐grained functional materials (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-10-24
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉Complex functional materials play a crucial role in a broad range of energy‐related applications and in general for materials science. Revealing the structural mechanisms is challenging due to highly correlated coexisting phases and microstructures, especially for 〈italic〉in situ〈/italic〉 or 〈italic〉operando〈/italic〉 investigations. Since the grain sizes influence the properties, these microstructural features further complicate investigations at synchrotrons due to the limitations of illuminated sample volumes. In this study, it is demonstrated that such complex functional materials with highly correlated coexisting phases can be investigated under 〈italic〉in situ〈/italic〉 conditions with neutron diffraction. For large grain sizes, these experiments are valuable methods to reveal the structural mechanisms. For an example of 〈italic〉in situ〈/italic〉 experiments on barium titanate with an applied electric field, details of the electric‐field‐induced phase transformation depending on grain size and frequency are revealed. The results uncover the strain mechanisms in barium titanate and elucidate the complex interplay of stresses in relation to grain sizes as well as domain‐wall densities and mobilities.〈/p〉
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉This work reports 〈italic〉in situ〈/italic〉 neutron diffraction experiments on a broad range of grain sizes of barium titanate. The study reveals the grain‐size‐dependent strain mechanisms and shows the competitiveness of neutron diffraction with high‐resolution synchrotron diffraction.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005767:jcr2vb5054:jcr2vb5054-fig-0001"〉 〈alt-text〉image〈/alt-text〉 〈/graphic〉〈/boxed-text〉〈/p〉
    Keywords: ddc:550.724 ; ddc:548 ; neutron diffraction ; in situ ; applied electric fields ; barium titanate ; strain mechanisms ; grain sizes ; complex functional materials ; microstructures ; coexisting phases
    Language: English
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  • 4
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    Energy‐dispersive X‐ray stress analysis under geometric constraints: exploiting the material's inherent anisotropy (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-09-12
    Description: Two data evaluation concepts for X‐ray stress analysis based on energy‐dispersive diffraction on polycrystalline materials with cubic crystal structure, almost random crystallographic texture and strong single‐crystal elastic anisotropy are subjected to comparative assessment. The aim is the study of the residual stress state in hard‐to‐reach measurement points, for which the sin2ψ method is not applicable due to beam shadowing at larger sample tilting. This makes the approaches attractive for stress analysis in engineering parts with complex shapes, for example. Both approaches are based on the assumption of a biaxial stress state within the irradiated sample volume. They exploit in different ways the elastic anisotropy of individual crystallites acting at the microscopic scale and the anisotropy imposed on the material by the near‐surface stress state at the macroscopic scale. They therefore complement each other, in terms of both their preconditions and their results. The first approach is based on the evaluation of strain differences, which makes it less sensitive to variations in the strain‐free lattice parameter a0. Since it assumes a homogeneous stress state within the irradiated sample volume, it provides an average value of the in‐plane stresses. The second approach exploits the sensitivity of the lattice strain to changes in a0. Consequently, it assumes a homogeneous chemical composition but provides a stress profile within the information depth. Experimental examples from different fields in materials science, namely shot peening of austenitic steel and in situ stress analysis during welding, are presented to demonstrate the suitability of the proposed methods.
    Description: The single‐crystal elastic anisotropy and the anisotropy of the near‐surface (residual) stress state of polycrystalline materials with random texture are exploited in energy‐dispersive X‐ray stress analysis to study samples under constrained measurement conditions.
    Keywords: ddc:548 ; X‐ray stress analysis ; energy‐dispersive diffraction ; polycrystalline materials ; single‐crystal elastic anisotropy
    Language: English
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  • 5
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    Use of electron backscatter diffraction patterns to determine the crystal lattice. Part 3. Pseudosymmetry (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-07-20
    Description: A pseudosymmetric description of the crystal lattice derived from a single wide‐angle Kikuchi pattern can have several causes. The small size (〈15%) of the sector covered by an electron backscatter diffraction pattern, the limited precision of the projection centre position and the Kikuchi band definition are crucial. Inherent pseudosymmetries of the crystal lattice and/or structure also pose a challenge in the analysis of Kikuchi patterns. To eliminate experimental errors as much as possible, simulated Kikuchi patterns of 350 phases have been analysed using the software CALM [Nolze et al. (2021). J. Appl. Cryst.54, 1012–1022] in order to estimate the frequency of and reasons for pseudosymmetric crystal lattice descriptions. Misinterpretations occur in particular when the atomic scattering factors of non‐equivalent positions are too similar and reciprocal‐lattice points are systematically missing. As an example, a pseudosymmetry prediction depending on the elements involved is discussed for binary AB compounds with B1 and B2 structure types. However, since this is impossible for more complicated phases, this approach cannot be directly applied to compounds of arbitrary composition and structure.
    Description: Distinguishing between actual and apparent pseudosymmetry in electron backscatter diffraction patterns is nearly impossible, even for simulated patterns. However, the resulting lattice is always a superlattice as long as the signal is not a superposition of multiple patterns.
    Keywords: ddc:548 ; Bravais lattices ; pseudosymmetry ; lattice point density ; ordered/disordered structures ; lattice distortion ; electron backscatter diffraction ; backscattered Kikuchi diffraction patterns ; lattice parameters ; Funk transform
    Language: English
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  • 6
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    Use of electron backscatter diffraction patterns to determine the crystal lattice. Part 2. Offset corrections (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-07-21
    Description: A band width determination using the first derivative of the band profile systematically underestimates the true Bragg angle. Corrections are proposed to compensate for the resulting offset Δa/a of the mean lattice parameters derived from as many Kikuchi band widths as possible. For dynamically simulated Kikuchi patterns, Δa/a can reach up to 8% for phases with a high mean atomic number Z, whereas for much more common low‐Z materials the offset decreases linearly. A predicted offset Δa/a = f(Z) is therefore proposed, which also includes the unit‐cell volume and thus takes into account the packing density of the scatterers in the material. Since Z is not always available for unknown phases, its substitution by Zmax, i.e. the atomic number of the heaviest element in the compound, is still acceptable for an approximate correction. For simulated Kikuchi patterns the offset‐corrected lattice parameter deviation is Δa/a 〈 1.5%. The lattice parameter ratios, and the angles α, β and γ between the basis vectors, are not affected at all.
    Description: Automatically determined band widths in simulated backscatter Kikuchi patterns exhibit differences from the double Bragg angles that correlate with the scatterer density. Corrections are proposed to compensate for this.
    Keywords: ddc:548 ; mean atomic number ; Kikuchi patterns ; lattice parameters ; automated Bragg angle determination ; lattice parameter determination ; dynamical theory of electron diffraction ; electron backscatter diffraction ; Funk transform
    Language: English
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  • 7
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    POWTEX visits POWGEN (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-07-21
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉The high‐intensity time‐of‐flight (TOF) neutron diffractometer POWTEX for powder and texture analysis is currently being built prior to operation in the eastern guide hall of the research reactor FRM II at Garching close to Munich, Germany. Because of the world‐wide 〈sup〉3〈/sup〉He crisis in 2009, the authors promptly initiated the development of 〈sup〉3〈/sup〉He‐free detector alternatives that are tailor‐made for the requirements of large‐area diffractometers. Herein is reported the 2017 enterprise to operate one mounting unit of the final POWTEX detector on the neutron powder diffractometer POWGEN at the Spallation Neutron Source located at Oak Ridge National Laboratory, USA. As a result, presented here are the first angular‐ and wavelength‐dependent data from the POWTEX detector, unfortunately damaged by a 50〈italic〉g〈/italic〉 shock but still operating, as well as the efforts made both to characterize the transport damage and to successfully recalibrate the voxel positions in order to yield nonetheless reliable measurements. Also described is the current data reduction process using the 〈italic〉PowderReduceP2D〈/italic〉 algorithm implemented in 〈italic〉Mantid〈/italic〉 [Arnold 〈italic〉et al.〈/italic〉 (2014). 〈italic〉Nucl. Instrum. Methods Phys. Res. A〈/italic〉, 〈bold〉764〈/bold〉, 156–166]. The final part of the data treatment chain, namely a novel multi‐dimensional refinement using a modified version of the 〈italic〉GSAS‐II〈/italic〉 software suite [〈ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/paper?aj5212"〉Toby & Von Dreele (2013). 〈italic〉J. Appl. Cryst.〈/italic〉〈bold〉46〈/bold〉, 544–549〈/ext-link〉], is compared with a standard data treatment of the same event data conventionally reduced as TOF diffraction patterns and refined with the unmodified version of 〈italic〉GSAS‐II〈/italic〉. This involves both determining the instrumental resolution parameters using POWGEN's powdered diamond standard sample and the refinement of a friendly‐user sample, BaZn(NCN)〈sub〉2〈/sub〉. Although each structural parameter on its own looks similar upon comparing the conventional (1D) and multi‐dimensional (2D) treatments, also in terms of precision, a closer view shows small but possibly significant differences. For example, the somewhat suspicious proximity of the 〈italic〉a〈/italic〉 and 〈italic〉b〈/italic〉 lattice parameters of BaZn(NCN)〈sub〉2〈/sub〉 crystallizing in 〈italic〉Pbca〈/italic〉 as resulting from the 1D refinement (0.008 Å) is five times less pronounced in the 2D refinement (0.038 Å). Similar features are found when comparing bond lengths and bond angles, 〈italic〉e.g.〈/italic〉 the two N—C—N units are less differently bent in the 1D results (173 and 175°) than in the 2D results (167 and 173°). The results are of importance not only for POWTEX but also for other neutron TOF diffractometers with large‐area detectors, like POWGEN at the SNS or the future DREAM beamline at the European Spallation Source.〈/p〉
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉The first real‐world neutron diffraction data have been collected with one of the POWTEX detectors (FRM II, Garching, Germany) mounted for testing at the Spallation Neutron Source (Oak Ridge National Laboratory, USA). They allow for angular‐ and wavelength‐dispersive Rietveld refinement using a modified version of 〈italic〉GSAS‐II〈/italic〉.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005767:jcr2tu5033:jcr2tu5033-fig-0001"〉 〈/graphic〉〈/boxed-text〉〈/p〉
    Keywords: ddc:548 ; neutron detectors ; POWGEN beamline ; POWTEX detector ; DREAM beamline ; time‐of‐flight diffraction ; angular‐dispersive refinement ; wavelength‐dispersive refinement ; powder diffraction ; Rietveld refinement ; multi‐dimensional refinement
    Language: English
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  • 8
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    A note on the wedge reversion antisymmetry operation and 51 types of physical quantities in arbitrary dimensions (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-07-21
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉The paper by Gopalan [〈ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/paper?ib5086"〉(2020). 〈italic〉Acta Cryst.〈/italic〉 A〈bold〉76〈/bold〉, 318–327〈/ext-link〉] presented an enumeration of the 41 physical quantity types in non‐relativistic physics, in arbitrary dimensions, based on the formalism of Clifford algebra. Gopalan considered three antisymmetries: spatial inversion, 〈overline〉1〈/overline〉, time reversal, 1′, and wedge reversion, 1〈sup〉†〈/sup〉. A consideration of the set of all seven antisymmetries (〈overline〉1〈/overline〉, 1′, 1〈sup〉†〈/sup〉, 1′〈sup〉†〈/sup〉, 〈overline〉1〈/overline〉〈sup〉†〈/sup〉, 〈overline〉1〈/overline〉′, 〈overline〉1〈/overline〉′〈sup〉†〈/sup〉) leads to an extension of the results obtained by Gopalan. It is shown that there are 51 types of physical quantities with distinct symmetry properties in total.〈/p〉
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉It is shown that there are 51 types of physical quantities in arbitrary dimensions with distinct transformations by wedge reversion symmetry. In the paper by 〈ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/paper?ib5086"〉Gopalan [(2020). 〈italic〉Acta Cryst.〈/italic〉 A〈bold〉76〈/bold〉, 318–327]〈/ext-link〉 only 41 types were enumerated.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:20532733:aya2ib5117:aya2ib5117-fig-0001"〉 〈alt-text〉image〈/alt-text〉 〈/graphic〉〈/boxed-text〉〈/p〉
    Keywords: ddc:548 ; multivectors ; wedge reversion ; antisymmetry ; Clifford algebra
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  • 9
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    Spatiotemporal variability of the potential wind erosion risk in Southern Africa between 2005 and 2019 (2023)
    John Wiley & Sons, Ltd. | Chichester, UK
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    Publication Date: 2023-07-21
    Description: 〈title xmlns:mml="http://www.w3.org/1998/Math/MathML"〉Abstract〈/title〉〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉Regional assessments of the wind erosion risk are rare and vary due to the methods used and the available data to be included. The adaptation of existing methods has the advantage that the results can be compared directly. We adopted an already successfully applied methodology (ILSWE—applied in East Africa), to investigate the spatiotemporal variability of the wind erosion risk between 2005 and 2019 in Southern Africa. The approach integrates climatic variables, a vegetation index, and soil properties to describe the potential impact of wind erosion at the landscape scale. The annual and seasonal variability is determined by the vegetation cover, whereas droughts and strong El Niño events had only regional effects. We estimated that 8.3% of the study area experiences a moderate to elevated wind erosion risk over the 15‐year period with annual and inter‐annual fluctuations showing a slight upward trend. In general, the desert and drylands in the west have the highest proportion of risk areas, the moist forests in the east are characterized by a very low risk of wind erosion, while the grasslands, shrublands, and croplands in the interior most likely react to changes of climatic conditions. The validation process is based on a comparison with the estimated frequency of dust storms derived from the aerosol optical depth and angstrom exponent and revealed an overall accuracy of 65%. The results of this study identify regions and yearly periods prone to wind erosion to prioritize for further analysis and conservation policies for mitigation and adaptation strategies.〈/p〉
    Description: Bundesministerium für Bildung und Forschung http://dx.doi.org/10.13039/501100002347
    Description: German Federal Ministry of Education and Research (BMBF)
    Description: http://www.climatologylab.org/terraclimate
    Description: https://www.isric.org/
    Description: http://www.fao.org/soils-portal/data-hub/soil-maps-and-databases/harmonized-world-soil-database-v12
    Description: https://land.copernicus.eu/global/products/fcover
    Description: https://www.esa-landcover-cci.org/%20
    Description: https://databasin.org/
    Description: https://giovanni.gsfc.nasa.gov/giovanni/
    Keywords: ddc:551.3 ; environmental modelling ; geographic information systems ; ILSWE model ; remote sensing ; temporal variability ; wind erosion
    Language: English
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  • 10
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    Use of electron backscatter diffraction patterns to determine the crystal lattice. Part 1. Where is the Bragg angle? (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-07-19
    Description: The derivation of a crystal structure and its phase‐specific parameters from a single wide‐angle backscattered Kikuchi diffraction pattern requires reliable extraction of the Bragg angles. By means of the first derivative of the lattice profile, an attempt is made to determine fully automatically and reproducibly the band widths in simulated Kikuchi patterns. Even under such ideal conditions (projection centre, wavelength and lattice plane traces are perfectly known), this leads to a lattice parameter distribution whose mean shows a linear offset that correlates with the mean atomic number Z of the pattern‐forming phase. The consideration of as many Kikuchi bands as possible reduces the errors that typically occur if only a single band is analysed. On the other hand, the width of the resulting distribution is such that higher image resolution of diffraction patterns, employing longer wavelengths to produce wider bands or the use of higher interference orders is less advantageous than commonly assumed.
    Description: The lattice parameters of more than 350 phases have been determined from simulated backscatter Kikuchi patterns. The deviations correlating with the mean atomic number correspond to those observed previously for experimental electron backscatter diffraction patterns.
    Keywords: ddc:548 ; Bragg angles ; Kikuchi bands ; Kikuchi patterns ; first derivative ; lattice parameters ; lattice parameter determination ; Bravais lattice type ; electron backscatter diffraction ; Radon transform
    Language: English
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  • 11
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    Data reduction for X‐ray serial crystallography using machine learning (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
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    Publication Date: 2023-07-19
    Description: Serial crystallography experiments produce massive amounts of experimental data. Yet in spite of these large‐scale data sets, only a small percentage of the data are useful for downstream analysis. Thus, it is essential to differentiate reliably between acceptable data (hits) and unacceptable data (misses). To this end, a novel pipeline is proposed to categorize the data, which extracts features from the images, summarizes these features with the `bag of visual words' method and then classifies the images using machine learning. In addition, a novel study of various feature extractors and machine learning classifiers is presented, with the aim of finding the best feature extractor and machine learning classifier for serial crystallography data. The study reveals that the oriented FAST and rotated BRIEF (ORB) feature extractor with a multilayer perceptron classifier gives the best results. Finally, the ORB feature extractor with multilayer perceptron is evaluated on various data sets including both synthetic and experimental data, demonstrating superior performance compared with other feature extractors and classifiers.
    Description: A machine learning method for distinguishing good and bad images in serial crystallography is presented. To reduce the computational cost, this uses the oriented FAST and rotated BRIEF feature extraction method from computer vision to detect image features, followed by a multilayer perceptron (neural network) to classify the images.
    Keywords: ddc:548 ; serial crystallography ; data reduction ; machine learning ; feature extraction
    Language: English
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  • 12
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    Towards joint in situ determination of pressure and temperature in the large volume press exclusively from X‐ray diffraction (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
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    Publication Date: 2023-07-19
    Description: Since high‐pressure devices have been used at synchrotron facilities, accurate determination of pressure and temperature in the sample has been a crucial objective, particularly for experiments that simulate the Earth's interior. However, in some cases using a thermocouple may have a high likelihood of failure or is incompatible with a high‐pressure assembly. To address these challenges and similar issues, we aim to expand a previously proposed solution: to jointly estimate pressure and temperature (〈italic〉PT〈/italic〉) through 〈italic〉in situ〈/italic〉 X‐ray diffraction, to cover a wider range of internal 〈italic〉PT〈/italic〉 calibrants tested over larger 〈italic〉PT〈/italic〉 ranges. A modifiable Python‐based software is offered to quickly obtain results. To achieve these aims, 〈italic〉in situ〈/italic〉 large volume press experiments are performed on pellets of intimately mixed powders of a halide (NaCl, KCl, KBr, CsCl) or MgO and a metal (Pt, Re, Mo, W, Ni) in the pressure range 3–11 GPa and temperature range 300–1800 K. Although the pressure range was chosen for practical reasons, it also covers an equally important depth range in the Earth (down to 350 km) for geoscience studies. A thermocouple was used to validate the 〈italic〉PT〈/italic〉 conditions in the cell assemblies. The key results show that choosing the appropriate calibrant materials and using a joint 〈italic〉PT〈/italic〉 estimation can yield surprisingly small uncertainties (〈italic〉i.e.〈/italic〉 〈±0.1 GPa and 〈±50 K). This development is expected to benefit current and future research at extreme conditions, as other materials with high compressibility or high thermal pressure, stable over large 〈italic〉PT〈/italic〉 ranges, may be discovered and used as 〈italic〉PT〈/italic〉 calibrants.〈/p〉
    Description: Research in high‐pressure devices, such as the diamond anvil cell and the large volume press, requires knowledge of the pressure and temperature in the sample. Here, a large volume press and an internal resistive heater were used to generate high load and heat to various combinations of intimately mixed powders of materials. X‐ray diffraction and custom software were used to jointly estimate the pressures and temperatures in the samples and establish calibrants for 〈italic〉in situ〈/italic〉 experiments at extreme conditions.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005775:jsy2vl5008:jsy2vl5008-fig-0001"〉
    Description: https://gitlab.desy.de/robert.farla/eoscross
    Keywords: ddc:548 ; equations of state ; X‐ray diffraction ; large volume press ; high pressure ; resistive heating
    Language: English
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  • 13
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    Large‐eddy simulation of soil moisture heterogeneity‐induced secondary circulation with ambient winds (2023)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2024-03-05
    Description: Land surface heterogeneity in conjunction with ambient winds influences the convective atmospheric boundary layer by affecting the distribution of incoming solar radiation and forming secondary circulations. This study performed coupled large‐eddy simulation (ICON‐LEM) with a land surface model (TERRA‐ML) over a flat river corridor mimicked by soil moisture heterogeneity to investigate the impact of ambient winds on secondary circulations. The coupled model employed double‐periodic boundary conditions with a spatial scale of 4.8 km. All simulations used the same idealized initial atmospheric conditions with constant incident radiation of 700 W⋅m〈sup〉−2〈/sup〉 and various ambient winds with different speeds (0 to 16 m⋅s〈sup〉−1〈/sup〉) and directions (e.g., cross‐river, parallel‐river, and mixed). The atmospheric states are decomposed into ensemble‐averaged, mesoscale, and turbulence. The results show that the secondary circulation structure persists under the parallel‐river wind conditions independently of the wind speed but is destroyed when the cross‐river wind is stronger than 2 m⋅s〈sup〉−1〈/sup〉. The soil moisture and wind speed determine the influence on the surface energy distribution independent of the wind direction. However, secondary circulations increase advection and dispersive heat flux while decreasing turbulent energy flux. The vertical profiles of the wind variance reflect the secondary circulation, and the maximum value of the mesoscale vertical wind variance indicates the secondary circulation strength. The secondary circulation strength positively scales with the Bowen ratio, stability parameter (−Z〈sub〉i〈/sub〉/L), and thermal heterogeneity parameter under cross‐river wind and mixed wind conditions. The proposed similarity analyses and scaling approach provide a new quantitative perspective on the impact of the ambient wind under heteronomous soil moisture conditions on secondary circulation.
    Description: Deutsche Forschungsgemeinschaft http://dx.doi.org/10.13039/501100001659
    Keywords: ddc:551.5 ; ambient winds ; Bowen ratio ; land surface model ; large‐eddy simulation ; moisture spatial heterogeneity ; secondary circulation ; similarity theory ; turbulence
    Language: English
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  • 14
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    Hard X‐ray full‐field nanoimaging using a direct photon‐counting detector (2023)
    Flenner, Silja ; Hagemann, Johannes ; Wittwer, Felix ; [et al.]
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2024-03-05
    Description: Full‐field X‐ray nanoimaging is a widely used tool in a broad range of scientific areas. In particular, for low‐absorbing biological or medical samples, phase contrast methods have to be considered. Three well established phase contrast methods at the nanoscale are transmission X‐ray microscopy with Zernike phase contrast, near‐field holography and near‐field ptychography. The high spatial resolution, however, often comes with the drawback of a lower signal‐to‐noise ratio and significantly longer scan times, compared with microimaging. In order to tackle these challenges a single‐photon‐counting detector has been implemented at the nanoimaging endstation of the beamline P05 at PETRA III (DESY, Hamburg) operated by Helmholtz‐Zentrum Hereon. Thanks to the long sample‐to‐detector distance available, spatial resolutions of below 100 nm were reached in all three presented nanoimaging techniques. This work shows that a single‐photon‐counting detector in combination with a long sample‐to‐detector distance allows one to increase the time resolution for in situ nanoimaging, while keeping a high signal‐to‐noise level.
    Description: A direct photon‐counting detector was used for different nanoimaging phase contrast techniques, increasing the temporal resolution.
    Keywords: ddc:548 ; nanotomography ; full‐field X‐ray microscopy ; near‐field holography ; near‐field ptychography ; Zernike phase contrast ; single‐photon‐counting detector ; phase contrast
    Language: English
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  • 15
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    Machine learning for scattering data: strategies, perspectives and applications to surface scattering (2023)
    Hinderhofer, Alexander ; Greco, Alessandro ; Starostin, Vladimir ; [et al.]
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2024-02-14
    Description: Machine learning (ML) has received enormous attention in science and beyond. Discussed here are the status, opportunities, challenges and limitations of ML as applied to X‐ray and neutron scattering techniques, with an emphasis on surface scattering. Typical strategies are outlined, as well as possible pitfalls. Applications to reflectometry and grazing‐incidence scattering are critically discussed. Comment is also given on the availability of training and test data for ML applications, such as neural networks, and a large reflectivity data set is provided as reference data for the community.
    Description: The status, opportunities, challenges and limitations of machine learning are discussed as applied to X‐ray and neutron scattering techniques, with an emphasis on surface scattering.
    Keywords: ddc:548 ; surface scattering ; X‐ray diffraction ; neutron scattering ; machine learning ; data analysis
    Language: English
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  • 16
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    Beam‐induced redox chemistry in iron oxide nanoparticle dispersions at ESRF–EBS (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2024-02-21
    Description: The storage ring upgrade of the European Synchrotron Radiation Facility makes ESRF–EBS the most brilliant high‐energy fourth‐generation light source, enabling in situ studies with unprecedented time resolution. While radiation damage is commonly associated with degradation of organic matter such as ionic liquids or polymers in the synchrotron beam, this study clearly shows that highly brilliant X‐ray beams readily induce structural changes and beam damage in inorganic matter, too. Here, the reduction of Fe3+ to Fe2+ in iron oxide nanoparticles by radicals in the brilliant ESRF–EBS beam, not observed before the upgrade, is reported. Radicals are created due to radiolysis of an EtOH–H2O mixture with low EtOH concentration (∼6 vol%). In light of extended irradiation times during insitu experiments in, for example, battery and catalysis research, beam‐induced redox chemistry needs to be understood for proper interpretation of insitu data.
    Description: With the increased brilliance at the European Research Facility–Extremely Brilliant Source (ESRF–EBS), a beam‐induced reduction of non‐stochiometric iron oxide nanoparticles (almost maghemite composition) to magnetite was observed in a mixture of ethanol and water with low ethanol concentration.
    Keywords: ddc:548 ; beam‐induced radiolysis ; radiation damage on inorganic materials ; ESRF–EBS
    Language: English
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  • 17
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    Added value of an atmospheric circulation pattern‐based statistical downscaling approach for daily precipitation distributions in complex terrain (2023)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2024-01-24
    Description: 〈title xmlns:mml="http://www.w3.org/1998/Math/MathML"〉Abstract〈/title〉〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉Reliable prediction of heavy precipitation events causing floods in a world of changing climate is crucial for the development of appropriate adaption strategies. Many attempts to provide such predictions have already been conducted but there is still much potential for improvement left. This is particularly true for statistical downscaling of heavy precipitation due to changes present in the corresponding atmospheric drivers. In this study, a circulation pattern (CP) conditional downscaling to the station level is proposed which considers occurring frequency changes of CPs. Following a strict circulation‐to‐environment approach we use atmospheric predictors to derive CPs. Subsequently, precipitation observations are used to derive CP conditional cumulative distribution functions (CDFs) of daily precipitation. Raw precipitation time series are sampled from these CDFs. Bias correction is applied to the sampled time series with quantile mapping (QM) and parametric transfer functions (PTFs) as methods being tested. The added value of this CP conditional downscaling approach is evaluated against the corresponding common non‐CP conditional approach. The performance evaluation is conducted by using Kling–Gupta Efficiency (KGE), root mean squared error (RMSE), and mean absolute error (MAE) metrics. In both cases the applied bias correction is identical. Potential added value can therefore only be attributed to the CP conditioning. It can be shown that the proposed CP conditional downscaling approach is capable of yielding more reliable and accurate downscaled daily precipitation time series in comparison to a non‐CP conditional approach. This can be seen in particular for the extreme parts of the distribution. Above the 95th percentile, an average performance gain of +0.24 and a maximum gain of +0.6 in terms of KGE is observed. These findings support the assumption of conserving and utilizing atmospheric information through CPs can be beneficial for more reliable statistical precipitation downscaling. Due to the availability of these atmospheric predictors in climate model output, the presented method is potentially suitable for downscaling precipitation projections.〈/p〉
    Description: Bundesministerium für Bildung und Forschung http://dx.doi.org/10.13039/501100002347
    Description: https://cds.climate.copernicus.eu/cdsapp#!/dataset/reanalysis-era5-pressure-levels?tab=overview
    Description: https://cdc.dwd.de/portal/
    Keywords: ddc:551.5 ; bias correction ; circulation patterns ; ERA5 ; extreme events ; heavy precipitation ; simulated annealing ; statistical downscaling
    Language: English
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  • 18
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    East Asian summer precipitation in AWI‐CM3: Comparison with observations and CMIP6 models (2023)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2023-11-13
    Description: 〈title xmlns:mml="http://www.w3.org/1998/Math/MathML"〉Abstract〈/title〉〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉Owing to the complicated spatial–temporal characteristics of East Asian precipitation (EAP), climate models have limited skills in simulating the modern Asian climate. This consequently leads to large uncertainties in simulations of the past EAP variation and future projections. Here, we explore the performance of the newly developed Alfred Wegener Institute Climate Model, version 3 (AWI‐CM3) in simulating the climatological summer EAP. To test whether the model's skill depends on its atmosphere resolution, we design two AWI‐CM3 simulations with different horizontal resolutions. The result shows that both simulations have acceptable performance in simulating the summer mean EAP, generally better than the majority of individual models participating in the Coupled Model Intercomparison Project (CMIP6). However, for the monthly EAP from June to August, AWI‐CM3 exhibits a decayed skill, which is due to the subseasonal movement of the western Pacific subtropical high bias. The higher‐resolution AWI‐CM3 simulation shows an overall improvement relative to the one performed at a relatively lower resolution in all aspects taken into account regarding the EAP. We conclude that AWI‐CM3 is a suitable tool for exploring the EAP for the observational period. Having verified the model's skill for modern climate, we suggest employing the AWI‐CM3, especially with high atmosphere resolution, both for applications in paleoclimate studies and future projections.〈/p〉
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉This figure shows the skill scores of AWI‐CM3 and CMIP6 models in simulating the climatological summer East Asian precipitation (EAP), which indicates that AWI‐CM3 simulations perform better than most CMIP6 individual models for the summer mean EAP, while AWI‐CM3's skills decay from June to August.〈boxed-text position="anchor" content-type="graphic" id="joc8075-blkfxd-0001" xml:lang="en"〉 〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:08998418:media:joc8075:joc8075-toc-0001"〉 〈alt-text〉image〈/alt-text〉 〈/graphic〉 〈/boxed-text〉〈/p〉
    Description: National Natural Science Foundation of China http://dx.doi.org/10.13039/501100001809
    Description: Deutsche Forschungsgemeinschaft http://dx.doi.org/10.13039/501100001659
    Description: Helmholtz Climate Initiative REKLIM
    Description: Helmholtz Program
    Description: Bundesministerium für Bildung und Forschung http://dx.doi.org/10.13039/501100002347
    Description: China Scholarship Council http://dx.doi.org/10.13039/501100004543
    Description: https://opendata.dwd.de/climate_environment/GPCC/html/fulldata-monthly_v2022_doi_download.html
    Description: https://crudata.uea.ac.uk/cru/data/hrg/cru_ts_4.05
    Description: http://aphrodite.st.hirosaki-u.ac.jp/products.html
    Description: https://jra.kishou.go.jp/JRA-55/index_en.html
    Description: https://esgf-node.llnl.gov/search/cmip6
    Keywords: ddc:551.6 ; AWI‐CM3 ; CMIP6 ; East Asia ; summer precipitation
    Language: English
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  • 19
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    Mapping the 3D position of battery cathode particles in Bragg coherent diffractive imaging (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-12-14
    Description: In Bragg coherent diffractive imaging, the precise location of the measured crystals in the interior of the sample is usually missing. Obtaining this information would help the study of the spatially dependent behavior of particles in the bulk of inhomogeneous samples, such as extra‐thick battery cathodes. This work presents an approach to determine the 3D position of particles by precisely aligning them at the instrument axis of rotation. In the test experiment reported here, with a 60 µm‐thick LiNi0.5Mn1.5O4 battery cathode, the particles were located with a precision of 20 µm in the out‐of‐plane direction, and the in‐plane coordinates were determined with a precision of 1 µm.
    Description: A method to determine the 3D position of particles in Bragg coherent diffractive imaging experiments is proposed. Test measurements demonstrate depth‐resolution with a precision of 20 µm along the beam. image
    Keywords: ddc:548 ; extra‐thick battery cathodes ; Bragg coherent X‐ray diffractive imaging ; battery cathodes ; Bragg diffraction ; sphere of confusion ; 3D mapping
    Language: English
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  • 20
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    The soft X‐ray and XUV split‐and‐delay unit at beamlines FL23/24 at FLASH2 (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2024-01-12
    Description: A split‐and‐delay unit for the extreme ultraviolet and soft X‐ray spectral regions has been built which enables time‐resolved experiments at beamlines FL23 and FL24 at the Free‐electron LASer in Hamburg (FLASH). Geometric wavefront splitting at a sharp edge of a beam splitting mirror is applied to split the incoming soft X‐ray pulse into two beams. Ni and Pt coatings at grazing incidence angles have been chosen in order to cover the whole spectral range of FLASH2 and beyond, up to hν = 1800 eV. In the variable beam path with a grazing incidence angle of ϑd = 1.8°, the total transmission (T) ranges are of the order of 0.48 〈 T 〈 0.84 for hν 〈 100 eV and T 〉 0.50 for 100 eV 〈 hν 〈 650 eV with the Ni coating, and T 〉 0.06 for hν 〈 1800 eV for the Pt coating. For a fixed beam path with a grazing incidence angle of ϑf = 1.3°, a transmission of T 〉 0.61 with the Ni coating and T 〉 0.23 with a Pt coating is achieved. Soft X‐ray pump/soft X‐ray probe experiments are possible within a delay range of −5 ps 〈 Δt 〈 +18 ps with a nominal time resolution of tr = 66 as and a measured timing jitter of tj = 121 ± 2 as. First experiments with the split‐and‐delay unit determined the averaged coherence time of FLASH2 to be τc = 1.75 fs at λ = 8 nm, measured at a purposely reduced coherence of the free‐electron laser.
    Description: The properties of the recently installed split‐and‐delay unit at beamlines FL23 and FL24 at FLASH2 are presented. Its operational range, performance parameters and results of a first experiment are described. image
    Keywords: ddc:550.724 ; time‐resolved pump–probe ; XUV ; soft X‐rays ; free‐electron laser
    Language: English
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  • 21
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    XDSGUI: a graphical user interface for XDS, SHELX and ARCIMBOLDO (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2024-01-12
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉〈italic〉XDSGUI〈/italic〉 is a lightweight graphical user interface (GUI) for the 〈italic〉XDS〈/italic〉, 〈italic〉SHELX〈/italic〉 and 〈italic〉ARCIMBOLDO〈/italic〉 program packages that serves both novice and experienced users in obtaining optimal processing and phasing results for X‐ray, neutron and electron diffraction data. The design of the program enables data processing and phasing without command line usage, and supports advanced command flows in a simple user‐modifiable and user‐extensible way. The GUI supplies graphical information based on the tabular log output of the programs, which is more intuitive, comprehensible and efficient than text output can be.〈/p〉
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉A customizable stateless graphical user interface simplifies the processing, analysis and phasing of diffraction data.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005767:jcr2yr5110:jcr2yr5110-fig-0001"〉 〈alt-text〉image〈/alt-text〉 〈/graphic〉〈/boxed-text〉〈/p〉
    Keywords: ddc:548 ; X‐ray diffraction ; neutron diffraction ; electron diffraction ; data processing ; graphical user interfaces ; phasing ; XDS ; ARCIMBOLDO ; SHELX
    Language: English
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  • 22
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    A multi‐parameter approach to quantify riverbed clogging and vertical hyporheic connectivity (2023)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2024-01-26
    Description: 〈title xmlns:mml="http://www.w3.org/1998/Math/MathML"〉Abstract〈/title〉〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉Riverbed clogging is key to assessing vertical connectivity in the hyporheic zone and is often quantified using single‐parameter or qualitative approaches. However, clogging is driven by multiple, interacting physical and bio‐geochemical parameters, which do not allow for a conclusive assessment of hyporheic connectivity with single‐parameter approaches. In addition, existing qualitative assessments lack transparency and repeatability. This study introduces a Multi‐Parameter Approach to quantify Clogging and vertical hyporheic connectivity (MultiPAC), which builds on standardized measurements of physical (grain size characteristics, porosity, hydraulic conductivity) and bio‐geochemical (interstitial dissolved oxygen) parameters. We apply MultiPAC at three gravel‐bed rivers and show how the set of parameters provides a representative appreciation of physical riverbed clogging, thus quantifying vertical hyporheic connectivity. However, more parameters are required to fully characterize biological clogging. In addition, MultiPAC locates clogged layers in the hyporheic zone through multi‐parameter vertical profiles over the riverbed depth. The discussion outlines the relevance of MultiPAC to guide field surveys.〈/p〉
    Description: https://github.com/Ecohydraulics/kf-converter-w-flopy
    Keywords: ddc:550.724 ; colmation ; dissolved oxygen ; grain size ; hydraulic conductivity ; porosity ; siltation
    Language: English
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  • 23
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    Projected changes in synoptic circulations over Europe and their implications for summer precipitation: A CMIP6 perspective (2023)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2024-01-30
    Description: 〈title xmlns:mml="http://www.w3.org/1998/Math/MathML"〉Abstract〈/title〉〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉Projected changes in summer precipitation deficits partly depend on alterations in synoptic circulations. Here, the automated Jenkinson–Collison classification is used to assess the ability of 21 global climate models (GCMs) to capture the frequency of recurring circulation types (CTs) and their implications for European daily precipitation amounts in summer (JJA). The ability of the GCMs to reproduce the observed present‐day climate features is evaluated first. Most GCMs capture the observed links between the mean CTs directional flow characteristics and the occurrence of dry days and related dry months. The most robust relationships are found for anticyclonic and easterly CTs which are generally associated with higher‐than‐average occurrences of dry conditions. Future changes in summer CTs' frequencies are estimated in the high‐emission SSP5‐8.5 scenario for the sake of a high signal‐to‐noise ratio. Our results reveal consistent changes, mainly in the zonal CTs. A robust decrease in frequency of the westerlies and an increase in the frequency of easterly CTs favour more continental, dry and warm air masses over central Europe. These dynamical changes are shown to enhance the projected summer drying over central and southern Europe.〈/p〉
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉Summer large‐scale circulations are derived over Europe using an automated classification. Spatial characteristics of the patterns and their influence on dry days are investigated. Future changes are explored based on global climate models. The predicted drier summers in Europe are found to be influenced by consistent changes in west‐easterly circulations.〈boxed-text position="anchor" content-type="graphic" id="joc8033-blkfxd-0001" xml:lang="en"〉 〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:08998418:media:joc8033:joc8033-toc-0001"〉 〈/graphic〉 〈/boxed-text〉〈/p〉
    Description: EU International Training Network (ITN) Climate Advanced Forecasting of sub‐seasonal Extremes (CAFE)
    Description: H2020 Marie Skłodowska‐Curie Actions
    Description: https://github.com/PedroLormendez/jcclass
    Keywords: ddc:551.6 ; circulation patterns ; climate change ; precipitation ; weather extremes
    Language: English
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  • 24
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    Hydrodynamic modeling of ephemeral flow in the Iishana channel systems of the Cuvelai Basin—Northern Namibia (2023)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2024-04-19
    Description: 〈title xmlns:mml="http://www.w3.org/1998/Math/MathML"〉Abstract〈/title〉〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉The transboundary region of the Iishana system in the western Cuvelai Basin, between southern Angola and northern Namibia, is frequently affected by floods at irregular intervals. As a result, the predominantly rural, subsistence farming population has experienced crop failures, human, and economic losses. To date, very little is known about the generation of floods, flood concentration, and stormwater drainage dynamics in this region. In this study, 2D‐hydrodynamic modeling was applied to reconstruct one of the latest major flood events during the rainy season from November 2008 to March 2009 in order to study the runoff behavior and interconnectivity of the Iishana system. The model focused on the eastern part of the Iishana system, which was most affected by floods and flood damage due to the high population density in and around Oshakati, the regional capital. Two main streams were identified noteworthy because they merge and subsequently affect Oshakati. Regarding the simulated flood event water depths vary from 0.1 m to 14 m, with an average of 0.2 m, while water depths above 5 m were attributed to borrow pits. The inundation area ranged up to 1860 km〈sup〉2〈/sup〉 and the amount of water left after the rainy season on March 25th, 2009, was determined between 0.116 and 0.547 km〈sup〉3〈/sup〉, depending on the amount of evapotranspiration considered in the model. Thus, in the Angolan part of the Iishana system, significantly larger quantities of water are available for longer periods of time during the subsequent dry season, whereas the system in Namibia stores less water, resulting in a shorter water retention period.〈/p〉
    Description: Deutsche Hydrologische Gesellschaft (DHG)
    Description: Freie Universität Berlin http://dx.doi.org/10.13039/501100007537
    Description: https://dx.doi.org/10.17169/refubium-35737
    Keywords: ddc:551.48 ; flood ; FloodArea11 ; SCS‐CN ; TanDEM‐X ; TRMM
    Language: English
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  • 25
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    Radar‐based heavy precipitation events in Germany and associated circulation patterns (2023)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2024-05-22
    Description: 〈title xmlns:mml="http://www.w3.org/1998/Math/MathML"〉Abstract〈/title〉〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉As projected by multiple climate models, short‐duration heavy precipitation events (SDHPEs) are expected to intensify particularly quickly under the changing climate posing substantial risk to natural and human systems. Yet over the years, SDHPEs have received less scientific attention than long‐duration heavy precipitation events (LDHPEs), mainly due to the limitations of measurement systems. Our aim is to provide insight into spatial and temporal variability of SDHPEs detected by the radar network of the 〈italic toggle="no"〉Deutscher Wetterdienst〈/italic〉 (DWD) in Germany from 2001 to 2020 as well as to explore their links to circulation patterns (CPs). The study is based on the Catalogue of Radar‐based heavy Rainfall Events (CatRaRE) generated using reprocessed gauge‐adjusted data of the DWD radar network as well as a new numerical method for classifying CPs over Central Europe called “〈italic toggle="no"〉Großwetterlagen〈/italic〉 for Reanalyses” (GWL‐REA). The results have demonstrated that SDHPEs, which are defined based on either locally valid precipitation values with a return period of 5 years (CatRaRE T5) or absolute precipitation values equal to DWD Warning Level 3 (CatRaRE W3), are common phenomena occurring most frequently in the afternoon hours of the summer season. They constitute up to 90% of all heavy precipitation events included in the catalogues covering relatively small areas—the median area of SDHPEs ranges from 22 km〈sup〉2〈/sup〉 (CatRaRE T5) to 24 km〈sup〉2〈/sup〉 (CatRaRE W3), while the median area of LDHPEs ranges from 175 km〈sup〉2〈/sup〉 (CatRaRE W3) to 184 km〈sup〉2〈/sup〉 (CatRaRE T5). As compared to LDHPEs, SDHPEs are generated by a wider spectrum of circulation conditions, including not only cyclonic but also anticyclonic CPs. In the warm season, the anticyclonic CPs, often accompanied by air mass advection from the south, can induce high thermal instability leading to the development of relatively small, isolated convective cells, which often cannot be captured by rain gauge stations.〈/p〉
    Description: Federal Ministry for Digital and Transport (BMDV)
    Description: https://www.dwd.de/DE/leistungen/catrare/catrare.html
    Keywords: ddc:551.6 ; CatRaRE ; circulation patterns ; GWL‐REA ; heavy precipitation events ; long‐duration precipitation ; radar data ; short‐duration precipitation
    Language: English
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  • 26
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    Feasibility of pXRF to evaluate chosen heavy metals in soil highly influenced by municipal waste disposal—A monitoring study of a former sewage farm (2022)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2022-04-04
    Description: Sewage disposal onto agricultural land may result in the high accumulation of organic wastes, which questions the applicability of typical elemental analysis used for the soil components. To monitor the contamination status of agricultural soils at a former sedimentation basin, after the long‐term cessation of wastewater irrigation, 110 locations (15–20 cm depth) and 4 boreholes (up to 100 cm depth) were sampled to determine pH, loss on ignition, and concentration of Ni, Cu, Pb, Zn, and Cr. Additionally, the applicability of portable X‐ray fluorescence (pXRF) for the soil samples highly influenced by the organic wastes was evaluated. The study revealed the presence of a relatively homogenous sewage waste layer (depth of 20 cm), characterized by slightly acidic to neutral pH (6.3–7.5), high organic matter (OM) accumulation (up to 49%), and elevated concentration (mg kg −1) ranges between: Pb (5–321), Cu (31–2828), Ni (10–193), Cr (14–966), and Zn (76–6639). The pXRF analysis revealed metal concentration increase in mineral samples (up to 50%). The regression models and correction factors demonstrated high correlation and significance of pXRF measurement with response to increasing OM content, with the lowest r 2 = 0.86 obtained for Ni. Correlation of pXRF and AES measurement illustrated element‐dependent response for soils high in organics. Zn, Cu, and Cr pXRF analysis led to a slight underestimation in lower values, but overall good correlations (0.87; 0.89; and 0.88 respectively). Pb and Ni pXRF measurement revealed higher deviation from the reference in both lower and higher concentrations (0.74 and 0.70, respectively).
    Description: German Federation of Industrial Research Associations http://dx.doi.org/10.13039/501100002723
    Description: Federal Ministry for Economic Affairs and Energy http://dx.doi.org/10.13039/501100006360
    Keywords: ddc:577.14
    Language: English
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    Sub‐micrometer focusing setup for high‐pressure crystallography at the Extreme Conditions beamline at PETRA III (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2022-06-24
    Description: Scientific tasks aimed at decoding and characterizing complex systems and processes at high pressures set new challenges for modern X‐ray diffraction instrumentation in terms of X‐ray flux, focal spot size and sample positioning. Presented here are new developments at the Extreme Conditions beamline (P02.2, PETRA III, DESY, Germany) that enable considerable improvements in data collection at very high pressures and small scattering volumes. In particular, the focusing of the X‐ray beam to the sub‐micrometer level is described, and control of the aberrations of the focusing compound refractive lenses is made possible with the implementation of a correcting phase plate. This device provides a significant enhancement of the signal‐to‐noise ratio by conditioning the beam shape profile at the focal spot. A new sample alignment system with a small sphere of confusion enables single‐crystal data collection from grains of micrometer to sub‐micrometer dimensions subjected to pressures as high as 200 GPa. The combination of the technical development of the optical path and the sample alignment system contributes to research and gives benefits on various levels, including rapid and accurate diffraction mapping of samples with sub‐micrometer resolution at multimegabar pressures.
    Description: Facing the challenges of X‐ray diffraction from tiny samples subjected to multimegabar pressures, instrumentation developments are presented that enable, among other studies, single‐crystal data collection from micrometer‐ to sub‐micrometer‐sized grains. The developments are based on a sub‐micrometer beam capability employing compound refractive lenses operating with a phase correcting plate and a precise motorization solution.
    Keywords: ddc:548
    Language: English
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    Spatio‐temporal patterns in degradation and restoration of gravel bars along Alpine rivers (2022)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2022-06-28
    Description: Braided reaches were common along near‐natural Alpine rivers, and the associated habitat dynamics supported plant and animal species specialized on early‐successional stages. The extensive riparian zones could mitigate climate change by absorbing floods and by retaining water during droughts. Human impacts largely reduced active river corridors through altered discharge and construction of dykes, while recent restoration projects aim at increasing river dynamics. The causes and consequences of Alpine river degradation are well understood, but there are only few quantitative studies on floodplain degradation and restoration. Thus, we have reconstructed historical changes of gravel bars along five Alpine rivers (Iller, Inn, Isar, Lech, and Wertach) in Southern Germany in the period 1808–2009, based on historical maps and aerial images. We found losses of 〉90% in gravel bar area along these rivers since the mid‐19th century. The decline was caused by a reduction of the active river corridor and by ongoing succession of the remaining open habitats. Within the past 30 years, at the Isar River, restoration measures were realized with the aim to widen the active river corridor and to recreate gravel bars. In four restored reaches, we found that 5% of the historical gravel bar area recovered, and that the proportion of restored gravel bar area was highest after intermediate flooding. We conclude that the active river corridors of German Alpine rivers are almost completely lost, and that more extensive restoration needs to be done to preserve the habitat dynamics and biodiversity of these systems, and to adapt Alpine rivers to climate change.
    Description: Deutsche Bundesstiftung Umwelt http://dx.doi.org/10.13039/100007636
    Keywords: ddc:551.35
    Language: English
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    Comparing the performance of high‐resolution global precipitation products across topographic and climatic gradients of Central Asia (2022)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2022-10-13
    Description: Accurate and reliable precipitation data with high spatial and temporal resolution are essential in studying climate variability, water resources management, and hydrological forecasting. A range of global precipitation data are available to this end, but how well these capture actual precipitation remains unknown, particularly for mountain regions where ground stations are sparse. We examined the performance of three global high‐resolution precipitation products for capturing precipitation over Central Asia, a hotspot of climate change, where reliable precipitation data are particularly scarce. Specifically, we evaluated MSWEP, CHIRPS, and GSMAP against independent gauging stations for the period 1985–2015. Our results show that MSWEP and CHIRPS outperformed GSMAP for wetter periods (i.e., winter and spring) and wetter locations (150–600 mm·year−1), lowlands, and mid‐altitudes (0–3,000 m), and regions dominated by winter and spring precipitation. MSWEP performed best in representing temporal precipitation dynamics and CHIRPS excelled in capturing the volume and distribution of precipitation. All precipitation products poorly estimated precipitation at higher elevations (〉3,000 m), in drier areas (〈150 mm), and in regions characterized by summer precipitation. All products accurately detected dry spells, but their performance decreased for wet spells with increasing precipitation intensity. In sum, we find that CHIRPS and MSWEP provide the most reliable high‐resolution precipitation estimates for Central Asia. However, the high spatial and temporal heterogeneity of the performance call for a careful selection of a suitable product for local applications considering the prevailing precipitation dynamics, climatic, and topographic conditions.
    Description: We present the first quantitative evaluation of global high‐resolution (below 12 km) precipitation products against independent ground observations over Central Asia. Our results show that MSWEP was best at representing temporal precipitation dynamics, and CHIRPS was most prominent in representing the volume and distribution of precipitation. This is especially the case of wet seasons, altitudes below 3,000 m, and regions dominated by spring and winter precipitation. Our analysis provides key insights on the precipitation products' suitability for local hydrological applications.
    Description: Leibniz‐Institut für Agrarentwicklung in Transformationsökonomien
    Description: Volkswagen Foundation http://dx.doi.org/10.13039/501100001663
    Keywords: ddc:551.6
    Language: English
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    A storyline attribution of the 2011/2012 drought in Southeastern South America (2022)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2022-08-04
    Description: The 2011/2012 summer drought in Southeastern South America (SESA) was a short but devastating event. What would this event have looked like under pre‐industrial conditions, or in a +2 degC world? We find that climate change causes the region to be at a higher risk of drought. However, we found no large‐scale changes in the half‐month water budgets. We show that the climate change induced positive precipitation trend in the region outweighs the increased temperatures and potential evapotranspiration during the 2011/2012 drought. image
    Keywords: ddc:551.5
    Language: English
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    Robust approaches for model‐free small‐angle scattering data analysis (2022)
    Bender, Philipp ; Honecker, Dirk ; Bersweiler, Mathias ; [et al.]
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2022-10-04
    Description: The small‐angle neutron scattering data of nanostructured magnetic samples contain information regarding their chemical and magnetic properties. Often, the first step to access characteristic magnetic and structural length scales is a model‐free investigation. However, due to measurement uncertainties and a restricted q range, a direct Fourier transform usually fails and results in ambiguous distributions. To circumvent these problems, different methods have been introduced to derive regularized, more stable correlation functions, with the indirect Fourier transform being the most prominent approach. Here, the indirect Fourier transform is compared with the singular value decomposition and an iterative algorithm. These approaches are used to determine the correlation function from magnetic small‐angle neutron scattering data of a powder sample of iron oxide nanoparticles; it is shown that with all three methods, in principle, the same correlation function can be derived. Each method has certain advantages and disadvantages, and thus the recommendation is to combine these three approaches to obtain robust results.
    Description: Three different approaches are compared for determination of the correlation function from the small‐angle neutron scattering data of a powder sample of iron oxide nanoparticles.
    Keywords: ddc:548
    Language: English
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    On gravity wave parameterisation in vicinity of low‐level blocking (2022)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2022-09-22
    Description: This note is framed as an open question to the community regarding parameterisation schemes using the blocking layer depth to reduce the orographic gravity wave drag. It is the purpose of this note to argue that the current orographic gravity wave drag parameterisation in the vicinity of blocking is inadequate. Reducing the gravity wave amplitude (and thereby reducing the gravity wave drag) by assuming an effective mountain height dependent on the blocking depth is not realistic. The arguments given here will hopefully spark a debate and new considerations, ultimately leading to improvements in current orographic gravity wave drag parameterisations. This note illustrates that low‐level blocking can induce more gravity waves or gravity waves with a higher momentum flux (compared to the current parameterisation schemes). More realistic parameterisation schemes are likely to improve the models' performance. However, the fact is complex theories are needed to describe gravity wave excitation by orography so that it is difficult to represent gravity wave nature by a ‘too simple’ parameterisation scheme.
    Description: The purpose of this letter is to provide arguments that the current gravity wave drag parameterisation in the vicinity of blocking is inadequate. Reducing the gravity wave drag depending on the blocking depth is not a realistic representation. The letter lists five ways in which the blocking layer can result in a greater amount of gravity wave drag.
    Keywords: ddc:551.5
    Language: English
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    Structure determination from unindexed powder data from scratch by a global optimization approach using pattern comparison based on cross‐correlation functions (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2022-06-16
    Description: A method of ab initio crystal structure determination from powder diffraction data for organic and metal–organic compounds, which does not require prior indexing of the powder pattern, has been developed. Only a reasonable molecular geometry is required, needing knowledge of neither unit‐cell parameters nor space group. The structures are solved from scratch by a global fit to the powder data using the new program FIDEL‐GO (`FIt with DEviating Lattice parameters ‐ Global Optimization'). FIDEL‐GO uses a similarity measure based on cross‐correlation functions, which allows the comparison of simulated and experimental powder data even if the unit‐cell parameters deviate strongly. The optimization starts from large sets of random structures in various space groups. The unit‐cell parameters, molecular position and orientation, and selected internal degrees of freedom are fitted simultaneously to the powder pattern. The optimization proceeds in an elaborate multi‐step procedure with built‐in clustering of duplicate structures and iterative adaptation of parameter ranges. The best structures are selected for an automatic Rietveld refinement. Finally, a user‐controlled Rietveld refinement is performed. The procedure aims for the analysis of a wide range of `problematic' powder patterns, in particular powders of low crystallinity. The method can also be used for the clustering and screening of a large number of possible structure candidates and other application scenarios. Examples are presented for structure determination from unindexed powder data of the previously unknown structures of the nanocrystalline phases of 4,11‐difluoro‐, 2,9‐dichloro‐ and 2,9‐dichloro‐6,13‐dihydro‐quinacridone, which were solved from powder patterns with 14–20 peaks only, and of the coordination polymer dichloro‐bis(pyridine‐N)copper(II).
    Description: A new method for the structure determination of molecular crystals from unindexed powder data has been developed and successfully applied. The method performs a global optimization using pattern comparison based on cross‐correlation functions.
    Keywords: ddc:548
    Language: English
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    How close are we to 1.5 degC or 2 degC of global warming? (2022)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2022-08-09
    Keywords: ddc:551.6
    Language: English
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    Highly resolved modeling of extreme wind speed in North America and Europe (2022)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2022-08-09
    Description: High wind speed (U) is one of the most dangerous natural hazards in North America and Europe. As a result, spatially explicit, statistical estimation of extreme U is of particular relevance for many sectors. However, the most common sources of wind speed data such as reanalysis data and in situ measurements are limited for this purpose due to their coarse spatial resolution and low representativeness. Thus, the main goal was to develop a high spatial resolution (250 m × 250 m) model (GloWiSMo‐X) for monthly mapping of the maximum hourly U for a 10‐year return period (U10yr) in North America and Europe. The multistep development of GloWiSMo‐X is based on 2544 hourly U time series available from the integrated surface global hourly meteorological data set (UNCEI), U time series from ERA5 (UERA5), and mean wind speed from the Global Wind Speed Model (U¯GloWiSMo). Firstly, the block maxima method was applied to estimate monthly wind speed for a 10‐year return period for both UNCEI (U10yr,NCEI) and UERA5 (U10yr,ERA5). Secondly, the least squares boosting approach was used to predict the target variable U10yr,NCEI yielding the predictions Û10yr. The predictor variables U10yr,ERA5, U¯GloWiSMo, continent, and month were used as input. It was found that the highest monthly continental means of Û10yr (U¯10yr) in January are 16.4 m/s in North America and 16.3 m/s in Europe. U¯10yr dropped to 13.4 m/s and 12.5 m/s in August. The annual cycle of U¯10yr is more pronounced in Europe than in North America. The central parts of the USA and Western Europe were identified as intracontinental regions with the highest U¯10yr. GloWiSMo‐X proves to be very broadly applicable as it covers two different continents and all months. The model validation by the mean squared error (MSE) demonstrates its improved predictive power compared to ERA5.
    Description: A high spatial resolution (250 m × 250 m) model (GloWiSMo‐X) for monthly mapping of the maximum hourly wind speed for a 10‐year return period in North America and Europe was developed. The highest monthly continental means are 16.4 m/s in North America and 16.3 m/s in Europe. Due to the pronounced annual cycle, it drops to 13.4 m/s and 12.5 m/s in August. image
    Description: Bundesministerium für Umwelt, Naturschutz und nukleare Sicherheit
    Keywords: ddc:551.5
    Language: English
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    Responses of soil organic carbon, aggregate diameters, and hydraulic properties to long‐term organic and conventional farming on a Vertisol in India (2022)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2022-08-09
    Description: Organic matter management can improve soil structural properties. This is crucial for agricultural soils in tropical regions threatened by high rainfall intensities. Compared to conventional farming, organic farming is usually deemed to increase organic carbon and improve soil structural properties such as stability and permeability. However, how much, if any, buildup of organic carbon is possible or indeed occurring also depends on soil type and environmental factors. We compared the impact of seven years of organic farming (annually 13.6 t ha−1 of composted manure) with that of conventional practices (2 t ha−1 of farmyard manure with 150–170 kg N ha−1 of mineral fertilizers) on soil structural properties. The study was conducted on a Vertisol in India with a two‐year crop rotation of cotton soybean wheat. Despite large differences in organic amendment application, organic carbon was not significantly different at 9.6 mg C g−1 on average in the topsoil. However, the size distribution of water‐stable aggregates shifted toward more aggregates 〈137 μm in the organic systems. Cumulative water intake was lower compared to the conventional systems, leading to higher runoff and erosion. These changes might be related to the lower pH and higher exchangeable sodium in the organic systems. Our results indicate that higher application of organic amendments did not lead to higher soil organic carbon and associated improvement in soil structures properties compared to integrated fertilization in this study. Chemical properties may dominate soil aggregation retarding the uptake and integration of organic amendments for sustainable agricultural intensification in tropical, semiarid climates.
    Description: Biovision Foundation for Ecological Development http://dx.doi.org/10.13039/501100015593
    Description: Coop Sustainability Fund
    Description: Swiss Agency for Development and Cooperation (SDC)
    Description: Foundation fiat panis http://dx.doi.org/10.13039/501100011087
    Description: Liechtenstein Development Service http://dx.doi.org/10.13039/501100015698
    Description: https://doi.org/10.6084/m9.figshare.18665612
    Keywords: ddc:631.4
    Language: English
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    Site dependence of the magnetocaloric effect in Mn5−xFexSi3 (2022)
    Ait Haddouch, Mohammed ; Abboushi, Nour ; Sharma, Neetika ; [et al.]
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2022-12-06
    Description: The nuclear and magnetic structures of Mn3Fe2Si3 are investigated in the temperature range from 20 to 300 K. The magnetic properties of Mn3Fe2Si3 were measured on a single crystal. The compound undergoes a paramagnetic to antiferromagnetic transition at TN2 ≃ 120 K and an antiferromagnetic to antiferromagnetic transition at TN1 ≃ 69 K. A similar sequence of magnetic phase transitions is found for the parent compound Mn5Si3 upon temperature variation, but the field‐driven transition observed in Mn5Si3 is not found in Mn3Fe2Si3, resulting in a strongly reduced magnetocaloric effect. Structurally, the hexagonal symmetry found for both compounds under ambient conditions is preserved in Mn3Fe2Si3 through both magnetic transitions, indicating that the crystal structure is only weakly affected by the magnetic phase transition, in contrast to Mn5Si3 where both transitions distort the nuclear structure. Both compounds feature a collinear high‐temperature magnetic phase AF2 and transfer into a non‐collinear phase AF1 at low temperature. While one of the distinct crystallographic sites remains disordered in the AF2 phase in the parent compound, the magnetic structure in the AF2 phase involves all magnetic atoms in Mn3Fe2Si3. These observations imply that the distinct sites occupied by the magnetic atoms play an important role in the magnetocaloric behaviour of the family.
    Description: The nuclear and magnetic structures of Mn3Fe2Si3 are determined and the magnetic properties are compared with those of the parent compound Mn5Si3. The results imply that the distinct magnetic sites play an important role in the magnetocaloric behaviour of the family. image
    Keywords: ddc:548 ; magnetocaloric effect ; magnetic structure ; neutron diffraction ; synchrotron diffraction ; site dependence
    Language: English
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    Atmospheric circulation patterns that trigger heavy rainfall in West Africa (2022)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2022-12-05
    Description: Classification of atmospheric circulation patterns (CP) is a common tool for downscaling rainfall, but it is rarely used for West Africa. In this study, a two‐step classification procedure is proposed for this region, which is applied from 1989 to 2010 for the Sudan‐Sahel zone (Central Burkina Faso) with a focus on heavy rainfall. The approach is based on a classification of large‐scale atmospheric CPs (e.g., Saharan Heat Low) of the West African Monsoon using a fuzzy rule‐based method to describe the seasonal rainfall variability. The wettest CPs are further classified using meso‐scale monsoon patterns to better describe the daily rainfall variability during the monsoon period. A comprehensive predictor screening for the seasonal classification indicates that the best performing predictor variables (e.g., surface pressure, meridional moisture fluxes) are closely related to the main processes of the West African Monsoon. In the second classification step, the stream function at 700 hPa for identifying troughs and ridges of tropical waves shows the highest performance, providing an added value to the overall performance of the classification. Thus, the new approach can better distinguish between dry and wet CPs during the rainy season. Moreover, CPs are identified that are of high relevance for daily heavy rainfall in the study area. The two wettest CPs caused roughly half of the extremes on about 6.5% of days. Both wettest patterns are characterized by an intensified Saharan Heat Low and a cyclonic rotation near the study area, indicating a tropical wave trough. Since the classification can be used to condition other statistical approaches used in climate sciences and other disciplines, the presented classification approach opens many different applications for the West African Monsoon region.
    Description: A two‐step classification of daily atmospheric circulation patterns is used to describe seasonal and daily rainfall variability in West Africa. The approach clearly distinguishes between dry and wet patterns if sea level pressure and stream function at 700 hPa are used. The two wettest patterns trigger about half of heavy rainfall events in Central Burkina Faso. They are characterized by an intensified Saharan Heat Low and a cyclonic rotation indicating a tropical wave trough near the study area.
    Description: Bundesministerium für Bildung und Forschung http://dx.doi.org/10.13039/501100002347
    Keywords: ddc:551.5 ; circulation pattern ; classification ; downscaling ; heavy rainfall ; West Africa
    Language: English
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    Digitization of imaging plates from Guinier powder X‐ray diffraction cameras (2022)
    Nasir, Jamal ; Steinbrück, Nils ; Xu, Ke ; [et al.]
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-01-15
    Description: A Guinier camera equipped with an imaging plate is used to investigate and eliminate the sources of instrumental errors affecting the quality of the obtained scanned Guinier data. A program with a graphical user interface is presented which converts the data of the scanned images into different standard file formats for powder X‐ray patterns containing intensities, their standard deviations and the diffraction angles. The program also allows for manual and automatic correction of the 2gθ scale against a known reference material. It is shown using LaB6 that the exported X‐ray diffraction patterns provide a 2gθ scale reproducible enough to allow for averaging diffractograms obtained from different exposures of the imaging plate for the same sample. As shown on a mixture of NaCl and sodalite, the quality of the produced data is sufficient for Rietveld refinement. The software including source code is made available under a free software license.
    Description: A program for the digitization of Guinier powder diffraction images is described, which works with images from both optical and laser scanners. Thus, processing of data from storage‐phosphor‐based imaging plates and Ag‐based photographic films is possible.
    Keywords: ddc:548 ; IPreader software ; Guinier cameras ; imaging plates (IPs) ; diffraction pattern conversion into data columns ; powder X‐ray diffraction ; data processing ; Guinier method
    Language: English
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    Bias correction of daily precipitation for ungauged locations using geostatistical approaches: A case study for the CORDEX‐Africa ensemble (2022)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2023-01-14
    Description: Climate model simulations typically exhibit a bias, which can be corrected using statistical approaches. In this study, a geostatistical approach for bias correction of daily precipitation at ungauged locations is presented. The method utilizes a double quantile mapping with dry day correction for future periods. The transfer function of the bias correction for the ungauged locations is established using distribution functions estimated by ordinary kriging with anisotropic variograms. The methodology was applied to the daily precipitation simulations of the entire CORDEX‐Africa ensemble for a study region located in the West African Sudanian Savanna. This ensemble consists of 23 regional climate models (RCM) that were run for three different future scenarios (RCP 2.6, RCP 4.5, and RCP 8.5). The evaluation of the approach for a historical 50‐year period (1950–2005) showed that the method can reduce the inherent strong precipitation bias of RCM simulations, thereby reproducing the main climatological features of the observed data. Moreover, the bias correction technique preserves the climate change signal of the uncorrected RCM simulations. However, the ensemble spread is increased due to an overestimation of the rainfall probability of uncorrected RCM simulations. The application of the bias correction method to the future period (2006–2100) revealed that annual precipitation increases for most models in the near (2020–2049) and far future (2070–2099) with a mean increase of up to 165mm⋅a−1 (18%). An analysis of the monthly and daily time series showed a slightly delayed onset and intensification of the rainy season.
    Description: Adapting water management strategies to future precipitation projected by climate models is associated with high uncertainty in sparsely gauged catchments. Kriging was utilized to estimate distribution parameters for ungauged locations in a West African region to perform a bias correction of the CORDEX‐Africa ensemble. The application of the bias correction method revealed higher annual precipitation amounts and an intensifaction of the rainy season but only little change to the onset of the rainy season.
    Description: German Federal Ministry of Education and Research, Bonn (BMBF), West African Science Service Centre on Climate Change and Adapted Land Use (WASCAL)
    Keywords: ddc:551.6 ; bias correction ; climate change ; CORDEX‐Africa ; geostatistical approaches ; precipitation ; quantile mapping ; West Africa
    Language: English
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    Distribution, drivers and population structure of the invasive alien snail Tarebia granifera in the Luvuvhu system, South Africa (2022)
    Makherana, Fhatuwani ; Cuthbert, Ross N. ; Dondofema, Farai ; [et al.]
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2023-01-14
    Description: Invasive alien species continue to spread and proliferate in waterways worldwide, but environmental drivers of invasion dynamics lack assessment. Knowledge gaps are pervasive in the Global South, where the frequent heavy human‐modification of rivers provides high opportunity for invasion. In southern Africa, the spatio‐temporal ecology of a widespread and high‐impact invasive alien snail, Tarebia granifera, and its management status is understudied. Here, an ecological assessment was conducted at seven sites around Nandoni Reservoir on the Luvuvhu River in South Africa. The distribution and densities of T. granifera were mapped and the potential drivers of population structure were explored. T. granifera was widespread at sites impacted to varying extents due to anthropogenic activity, with densities exceeding 500 individuals per square meter at the most impacted areas. T. granifera predominantly preferred shallow and sandy environments, being significantly associated with sediment (i.e., chlorophyll‐a, Mn, SOC, SOM) and water (i.e., pH, conductivity, TDS) variables. T. granifera seemed to exhibit two recruitment peaks in November and March, identified via size‐based stock assessment. Sediment parameters (i.e., sediment organic matter, sediment organic carbon, manganese) and water chemistry (i.e., pH, total dissolved solids, conductivity) were found to be important in structuring T. granifera populations, with overall snail densities highest during the summer season. We provide important autecological information and insights on the distribution and extent of the spread of T. granifera. This may help in the development of invasive alien snail management action plans within the region, as well as modelling efforts to predict invasion patterns elsewhere based on environmental characteristics.
    Description: Alexander von Humboldt‐Stiftung http://dx.doi.org/10.13039/100005156
    Description: National Research Foundation http://dx.doi.org/10.13039/501100001321
    Description: University of Venda http://dx.doi.org/10.13039/501100008976
    Keywords: ddc:577.6 ; aquatic non‐native invasions ; environmental gradients ; Global South ; human‐modified river ; quilted melania ; reservoir
    Language: English
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    Record summers in Europe: Variations in drought and heavy precipitation during 1901–2018 (2022)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2023-01-13
    Description: During the last 20 years some very hot and dry summers affected Europe, resulting in regionally record‐breaking high temperature or low precipitation values. Long‐term changes of such extremely hot and dry summers are of great relevance for our society, as they are connected with manifold negative impacts on human society, natural ecosystems, and diverse economic sectors. Long‐term variations in drought and five record drought summer half years are studied based on 63 stations across Europe with high‐quality precipitation and temperature time series spanning the period 1901–2018. Eight drought indices are deployed to analyse drought intensity, frequency, and duration; four of them purely precipitation‐based and four integrating potential evapotranspiration in the computation. Additionally, three heavy precipitation indices and simultaneous increases in drought and heavy precipitation are studied. The five driest summer half years over Europe are identified (1947, 2018, 2003, 1921, and 1911). They are analysed by aggregating eight drought indices into the aggregated drought evaluation index (ADE) for five subregions. The ADE shows increasing summer drought conditions over most of Europe, except for some stations in northern Europe. The increase in drought conditions during the warm part of the year is particularly pronounced for indices integrating evapotranspiration in their definition. At the same time, the intensity of heavy precipitation events shows a positive trend, as well as an increased contribution to total precipitation. Several stations in central Europe show simultaneously increasing drought conditions and increasing heavy precipitation events. This increases the risks connected with precipitation extremes.
    Description: Drought and heavy precipitation trends are studied for selected stations with long time series. Both extreme events are related to specific impacts on different economic sectors and thus society. Stations that simultaneously show increasing trends in drought and heavy precipitation mainly occur in central Europe. This indicates a probably higher exposure to these risks in central Europe as well as a demand for broader adaptation options in this region.
    Keywords: ddc:551.6 ; climate indices ; climate variability and change ; dry periods ; mRAI ; WBAI
    Language: English
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  • 43
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    Towards a more comprehensive assessment of the intensity of historical European heat waves (1979–2019) (2022)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2023-01-19
    Description: Europe has been affected by record‐breaking heat waves in recent decades. Using station data and a gridded reanalysis as input, four commonly used heat wave indices, the heat wave magnitude index daily (HWMId), excess heat factor (EHF), wet‐bulb globe temperature (WBGT) and universal thermal climate index (UTCI), are computed. The extremeness of historical European heat waves between 1979 and 2019 using the four indices and different metrics is ranked. A normalisation to enable the comparison between the four indices is introduced. Additionally, a method to quantify the influence of the input parameters on heat wave magnitude is introduced. The spatio‐temporal behaviour of heat waves is assessed by spatial–temporal tracking. The areal extent, large‐scale intensity and duration are visualized using bubble plots. As expected, temperature explains the largest variance in all indices, but humidity is nearly as important in WBGT and wind speed plays a substantial role in UTCI. While the 2010 Russian heat wave is by far the most extreme event in duration and intensity in all normalized indices, the 2018 heat wave was comparable in size for EHF, WBGT and UTCI. Interestingly, the well‐known 2003 central European heat wave was only the fifth and tenth strongest in cumulative intensity in WBGT and UTCI, respectively. The June and July 2019 heat waves were very intense, but short‐lived, thus not belonging to the top heat waves in Europe when duration and areal extent are taken into account. Overall, the proposed normalized indices and the multi‐metric assessment of large‐scale heat waves allow for a more robust description of their extremeness and will be helpful to assess heat waves worldwide and in climate projections.
    Description: Europe has been affected by record‐breaking heat waves in recent decades. Using station data and a gridded reanalysis, the extremeness of European heat waves between 1979 and 2019 is ranked using four indices: heat wave magnitude index daily (HWMId), excess heat factor (EHF), wet‐bulb globe temperature (WBGT) and universal thermal climate index (UTCI). In order to assess heatwaves worldwide and in climate projections, the spatial extent, large‐scale intensity and duration of heatwaves are visualized using bubble plots.
    Description: AXA Research Fund http://dx.doi.org/10.13039/501100001961
    Description: Bundesministerium für Bildung und Forschung http://dx.doi.org/10.13039/501100002347
    Description: Deutsche Forschungsgemeinschaft http://dx.doi.org/10.13039/501100001659
    Description: Karlsruher Institut für Technologie http://dx.doi.org/10.13039/100009133
    Keywords: ddc:551.5 ; duration ; heat wave ; indices ; intensity ; large‐scale ; spatial extent
    Language: English
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  • 44
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    Small‐angle neutron scattering of long‐wavelength magnetic modulations in reduced sample dimensions (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-07-04
    Description: Magnetic small‐angle neutron scattering (SANS) is ideally suited to providing direct reciprocal‐space information on long‐wavelength magnetic modulations, such as helicoids, solitons, merons or skyrmions. SANS of such structures in thin films or micro‐structured bulk materials is strongly limited by the tiny scattering volume vis a vis the prohibitively high background scattering by the substrate and support structures. Considering near‐surface scattering just above the critical angle of reflection, where unwanted signal contributions due to substrate or support structures become very small, it is established that the scattering patterns of the helical, conical, skyrmion lattice and fluctuation‐disordered phases in a polished bulk sample of MnSi are equivalent for conventional transmission and near‐surface SANS geometries. This motivates the prediction of a complete repository of scattering patterns expected for thin films in the near‐surface SANS geometry for each orientation of the magnetic order with respect to the scattering plane.
    Description: Near‐surface SANS is discussed for its potential as a probe of long‐wavelength magnetic modulations in specimens with reduced sample dimensions.
    Keywords: ddc:548 ; small‐angle neutron scattering ; near‐surface SANS ; magnetism ; non‐collinear magnetism ; thin films ; skyrmions ; MnSi
    Language: English
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  • 45
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    Using diffraction losses of X‐rays in a single crystal for determination of its lattice parameters as well as for monochromator calibration (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-12-04
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉A way has been developed to measure the unit‐cell parameters of a single crystal just from an energy scan with X‐rays, even when the exact energy of the X‐rays is not well defined due to an error in the pitch angle of the monochromator. The precision of this measurement reaches 〈italic〉da〈/italic〉/〈italic〉a〈/italic〉 ∼ 1 × 10〈sup〉−5〈/sup〉. The method is based on the analysis of diffraction losses of the beam, transmitted through a single crystal (the so‐called `glitch effect'). This method can be easily applied to any transmissive X‐ray optical element made of single crystals (for example, X‐ray lenses). The only requirements are the possibility to change the energy of the generated X‐ray beam and some intensity monitor to measure the transmitted intensity. The method is agnostic to the error in the monochromator tuning and it can even be used for determination of the absolute pitch (or 2gθ) angle of the monochromator. Applying the same method to a crystal with well known lattice parameters allows determination of the exact cell parameters of the monochromator at any energy.〈/p〉
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉Diffraction losses (glitches) at certain energies of the X‐ray beam, transmitted through a single crystal, can be used for lattice parameters determination as well as for calibrating the monochromator (absolute pitch angle and the unit‐cell parameter).〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005775:jsy2ay5590:jsy2ay5590-fig-0001"〉 〈alt-text〉image〈/alt-text〉 〈/graphic〉〈/boxed-text〉〈/p〉
    Keywords: ddc:548 ; X‐ray glitches ; diffraction losses ; unit‐cell parameter ; single‐crystal X‐ray optics ; monochromator calibration
    Language: English
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  • 46
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    Combining reverse Monte Carlo analysis of X‐ray scattering and extended X‐ray absorption fine structure spectra of very small nanoparticles (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-07-21
    Description: Finite size effects in partial pair distribution functions generate artefacts in the scattering structure factor and scattering intensity. It is shown how they can be overcome using a binned version of the Debye scattering equation. Accordingly, reverse Monte Carlo simulations are used for very small nanoparticles of LaFeO3 with diameters below 10 nm to simultaneously analyse X‐ray scattering data and extended X‐ray absorption fine structure spectra at the La K and Fe K edges. The structural information obtained is consistent regarding local structure and long‐range order.
    Description: Computing scattering intensity using the Debye scattering equation after binning interatomic distances avoids finite size artefacts and is efficient enough for simultaneous refinement of scattering data and extended X‐ray absorption spectra by reverse Monte Carlo simulations.
    Keywords: ddc:548 ; extended X‐ray absorption fine structure ; EXAFS ; wide‐angle X‐ray scattering ; WAXS ; reverse Monte Carlo ; RMC ; nanocrystals ; LaFeO3
    Language: English
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  • 47
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    Modeling cloud properties over the 79 N Glacier (Nioghalvfjerdsfjorden, NE Greenland) for an intense summer melt period in 2019 (2022)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2023-07-25
    Description: Long believed to be insignificant, melt activity on the Northeast Greenland Ice Stream (NEGIS) has increased in recent years. Summertime Arctic clouds have the potential to strongly affect surface melt processes by regulating the amount of radiation received at the surface. However, the cloud effect over Greenland is spatially and temporally variable and high‐resolution information on the northeast is absent. This study aims at exploring the potential of a high‐resolution configuration of the polar‐optimized Weather Research & Forecasting Model (PWRF) in simulating cloud properties in the area of the Nioghalvfjerdsfjorden Glacier (79 N Glacier). Subsequently, the model simulations are employed to investigate the impact of Arctic clouds on the surface energy budget and on surface melting during the extensive melt event at the end of July 2019. Compared to automatic weather station (AWS) measurements and remote‐sensing data (Sentinel‐2A and the Moderate Resolution Imaging Spectroradiometer, MODIS), PWRF simulates cloud properties with sufficient accuracy. It appears that peak melt was caused by an increase in solar radiation and sensible heat flux (SHF) in response to a blocking anticyclone and foehn winds in the absence of clouds. Cloud warming over high‐albedo surfaces helped to precondition the surface and prolonged the melting as the anticyclone abated. The results are sensitive to the surface albedo and suggest spatiotemporal differences in the cloud effect as snow and ice properties change over the course of the melting season. This demonstrates the importance of including high‐resolution information on clouds in analyses of ice sheet dynamics.
    Description: German Federal Ministry for Education and Research http://dx.doi.org/10.13039/501100002347
    Description: https://doi.org/10.5065/EM0T-1D34
    Description: https://cds.climate.copernicus.eu/cdsapp/#!/search?type=dataset
    Description: https://ladsweb.modaps.eosdis.nasa.gov/search/
    Keywords: ddc:551.5 ; cloud properties ; cloud radiative effect ; Northeast Greenland Ice Stream ; regional climate modeling ; surface energy balance ; surface melt ; surface energy balance ; surface melt
    Language: English
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  • 48
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    HTD2: a single‐crystal X‐ray diffractometer for combined high‐pressure/low‐temperature experiments at laboratory scale (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2022-12-15
    Description: High‐pressure (HP) X‐ray diffraction experiments at low temperature (LT) require dedicated instruments as well as non‐standard sample environments and measuring strategies. This is especially true when helium cryogenic temperatures below 80 K are targeted. Furthermore, only experiments on single‐crystalline samples provide the prerequisites to study subtle structural changes in the p–T phase diagram under extreme LT and HP conditions in greater detail. Due to special hardware requirements, such measurements are usually in the realm of synchrotron beamlines. This contribution describes the design of an LT/HP diffractometer (HTD2) to perform single‐crystal X‐ray diffraction experiments using a laboratory source in the temperature range 400 〉 T 〉 2 K while applying pressures of up to 20 GPa.
    Description: The design and operation of a newly commissioned single‐crystal X‐ray diffractometer (HTD2) are presented. The device enables experiments under simultaneous low‐temperature and high‐pressure conditions using a laboratory X‐ray source.
    Keywords: ddc:548 ; HTD2 ; low temperature ; high pressure ; single crystals ; instrumentation
    Language: English
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  • 49
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    X‐ray diffraction with micrometre spatial resolution for highly absorbing samples (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-01-21
    Description: X‐ray diffraction with high spatial resolution is commonly used to characterize (poly)crystalline samples with, for example, respect to local strain, residual stress, grain boundaries and texture. However, the investigation of highly absorbing samples or the simultaneous assessment of high‐Z materials by X‐ray fluorescence have been limited due to the utilization of low photon energies. Here, a goniometer‐based setup implemented at the P06 beamline of PETRA III that allows for micrometre spatial resolution with a photon energy of 35 keV and above is reported. A highly focused beam was achieved by using compound refractive lenses, and high‐precision sample manipulation was enabled by a goniometer that allows up to 5D scans (three rotations and two translations). As experimental examples, the determination of local strain variations in martensitic steel samples with micrometre spatial resolution, as well as the simultaneous elemental distribution for high‐Z materials in a thin‐film solar cell, are demonstrated. The proposed approach allows users from the materials‐science community to determine micro‐structural properties even in highly absorbing samples.
    Description: A demonstration of high‐resolution micro X‐ray diffraction at high photon energies for highly absorbing samples.
    Keywords: ddc:548 ; X‐ray diffraction ; high spatial resolution ; high photon energy ; X‐ray fluorescence ; goniometers
    Language: English
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  • 50
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    Domain Auto Finder (DAFi) program: the analysis of single‐crystal X‐ray diffraction data from polycrystalline samples (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-01-21
    Description: This paper presents the Domain Auto Finder (DAFi) program and its application to the analysis of single‐crystal X‐ray diffraction (SC‐XRD) data from multiphase mixtures of microcrystalline solids and powders. Superposition of numerous reflections originating from a large number of single‐crystal domains of the same and/or different (especially unknown) phases usually precludes the sorting of reflections coming from individual domains, making their automatic indexing impossible. The DAFi algorithm is designed to quickly find subsets of reflections from individual domains in a whole set of SC‐XRD data. Further indexing of all found subsets can be easily performed using widely accessible crystallographic packages. As the algorithm neither requires a priori crystallographic information nor is limited by the number of phases or individual domains, DAFi is powerful software to be used for studies of multiphase polycrystalline and microcrystalline (powder) materials. The algorithm is validated by testing on X‐ray diffraction data sets obtained from real samples: a multi‐mineral basalt rock at ambient conditions and products of the chemical reaction of yttrium and nitrogen in a laser‐heated diamond anvil cell at 50 GPa. The high performance of the DAFi algorithm means it can be used for processing SC‐XRD data online during experiments at synchrotron facilities.
    Description: This paper presents the Domain Auto Finder (DAFi) program and its application to the analysis of single‐crystal X‐ray diffraction (SC‐XRD) data from multiphase mixtures of microcrystalline solids and powders. The DAFi algorithm is designed to quickly find subsets of reflections from individual domains in a whole set of SC‐XRD data and neither requires a priori crystallographic information nor is limited by the number of phases or individual domains.
    Keywords: ddc:548 ; single‐crystal domain auto finder ; DAFi ; single‐crystal X‐ray diffraction ; polycrystalline samples ; multiphase mixtures
    Language: English
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  • 51
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    High‐resolution XEOL spectroscopy setup at the X‐ray absorption spectroscopy beamline P65 of PETRA III (2022)
    Levcenko, S. ; Biller, R. ; Pfeiffelmann, T. ; [et al.]
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-01-25
    Description: A newly designed setup to perform steady‐state X‐ray excited optical luminescence (XEOL) spectroscopy and simultaneous XEOL and X‐ray absorption spectroscopy characterization at beamline P65 of PETRA III is described. The XEOL setup is equipped with a He‐flow cryostat and state‐of‐the‐art optical detection system, which covers a wide wavelength range of 300–1700 nm with a high spectral resolution of 0.4 nm. To demonstrate the setup functioning, low‐temperature XEOL studies on polycrystalline CuInSe2 thin film, single‐crystalline GaN thin film and single‐crystalline ZnO bulk semiconductor samples are performed.
    Description: X‐ray excited optical luminescence (XEOL) spectroscopy is increasingly important to understand the interplay between the optical properties, structure and chemical composition, providing insights into the mechanism of radiative recombination for a wide range of materials. This study demonstrates a newly implemented setup to perform steady‐state XEOL and simultaneous XEOL and XAFS characterizations at beamline P65 of PETRA III.
    Keywords: ddc:550.2 ; XEOL ; XAS ; CuInSe2 ; ZnO ; GaN
    Language: English
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  • 52
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    Automatic bad‐pixel mask maker for X‐ray pixel detectors with application to serial crystallography (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2024-02-14
    Description: X‐ray crystallography has witnessed a massive development over the past decade, driven by large increases in the intensity and brightness of X‐ray sources and enabled by employing high‐frame‐rate X‐ray detectors. The analysis of large data sets is done via automatic algorithms that are vulnerable to imperfections in the detector and noise inherent with the detection process. By improving the model of the behaviour of the detector, data can be analysed more reliably and data storage costs can be significantly reduced. One major requirement is a software mask that identifies defective pixels in diffraction frames. This paper introduces a methodology and program based upon concepts of machine learning, called robust mask maker (RMM), for the generation of bad‐pixel masks for large‐area X‐ray pixel detectors based on modern robust statistics. It is proposed to discriminate normally behaving pixels from abnormal pixels by analysing routine measurements made with and without X‐ray illumination. Analysis software typically uses a Bragg peak finder to detect Bragg peaks and an indexing method to detect crystal lattices among those peaks. Without proper masking of the bad pixels, peak finding methods often confuse the abnormal values of bad pixels in a pattern with true Bragg peaks and flag such patterns as useful regardless, leading to storage of enormous uninformative data sets. Also, it is computationally very expensive for indexing methods to search for crystal lattices among false peaks and the solution may be biased. This paper shows how RMM vastly improves peak finders and prevents them from labelling bad pixels as Bragg peaks, by demonstrating its effectiveness on several serial crystallography data sets.
    Description: Attention is focused on perhaps the biggest bottleneck in data analysis for serial crystallography at X‐ray free‐electron lasers, which has not received serious enough examination to date. An effective and reliable way is presented to identify anomalies in detectors, using machine learning and recently developed mathematical methods in the field referred to as `robust statistics'. image
    Keywords: ddc:548 ; bad‐pixel masks ; robust mask maker ; machine learning ; robust statistics ; serial crystallography
    Language: English
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    Updates in SASfit for fitting analytical expressions and numerical models to small‐angle scattering patterns (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2024-02-22
    Description: Small‐angle scattering is an increasingly common method for characterizing particle ensembles in a wide variety of sample types and for diverse areas of application. SASfit has been one of the most comprehensive and flexible curve‐fitting programs for decades, with many specialized tools for various fields. Here, a selection of enhancements and additions to the SASfit program are presented that may be of great benefit to interested and advanced users alike: (a) further development of the technical basis of the program, such as new numerical algorithms currently in use, a continuous integration practice for automated building and packaging of the software, and upgrades on the plug‐in system for easier adoption by third‐party developers; (b) a selection of new form factors for anisotropic scattering patterns and updates to existing form factors to account for multiple scattering effects; (c) a new type of a very flexible distribution called metalog [Keelin (2016). Decis. Anal.13, 243–277], and regularization techniques such as the expectation‐maximization method [Dempster et al. (1977). J. R. Stat. Soc. Ser. B (Methodological), 39, 1–22; Richardson (1972) J. Opt. Soc. Am.62, 55; Lucy (1974). Astron. J.79, 745; Lucy (1994). Astron. Astrophys.289, 983–994], which is compared with fits of analytical size distributions via the non‐linear least‐squares method; and (d) new structure factors, especially for ordered nano‐ and meso‐scaled material systems, as well as the Ornstein–Zernike solver for numerical determination of particle interactions and the resulting structure factor when no analytical solution is available, with the aim of incorporating its effects into the small‐angle scattering intensity model used for fitting with SASfit.
    Description: Recent enhancements and additions to the SASfit program are discussed, including anisotropic scattering models, flexible distributions, regularization techniques such as the expectation‐maximization method, and new structure factors, especially for ordered nano‐ and meso‐scaled material. The Ornstein–Zernike solver for numerical structure factors is also introduced. image
    Keywords: ddc:548 ; small‐angle scattering ; SASfit ; numerical models ; structure factors ; form factors ; regularization techniques
    Language: English
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  • 54
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    How certain are El Niño–Southern Oscillation frequency changes in Coupled Model Intercomparison Project Phase 6 models? (2022)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2024-02-06
    Description: El Niño–Southern Oscillation (ENSO) is one of the most important modes of climate variability on interannual timescales. We aim to find out whether a change in ENSO frequency can be predicted for the nearer future. We analyse the unforced pre‐industrial control run and the forced 1%/year CO〈sub〉2〈/sub〉 increase run for an ensemble of 43 general circulation models that participated in the Coupled Model Intercomparison Project Phase 6 (CMIP6). We assume that the uncertainty of ENSO frequency trend estimates from an ensemble is caused by apparent trends as well as model differences. The part of the uncertainty caused by apparent trends is estimated from the pre‐industrial control simulations. As a measure for ENSO frequency, we use the number of El Niño‐ and La Niña‐like months in a moving 30‐year time window. Its linear decadal trend is calculated for every member. The multimember mean of the trend for both experiments is less than 0.7 events per decade. Given that the standard error is of the same order of magnitude, we consider this a negligible trend. The uncertainties are large in both experiments and we can attribute most of the intermember variability to apparent trends due to natural variability rather than different model reactions to CO〈sub〉2〈/sub〉 forcing. This means that the impact of intermodel differences might have been overstated in previous studies. Apparent trends make it very difficult to make reliable predictions of changes in ENSO frequency based on 120‐year time series.
    Description: The 1pctCO2 and piControl ensembles from CMIP6 are analysed for 43 models with a focus on changes in ENSO frequency. We find that most of the intermember variability can be attributed to natural variability instead of model differences. Therefore, the uncertainty can only marginally be reduced and it is very difficult to reliably predict changes in ENSO frequency on a timescale of 150 years.
    Description: Deutsche Forschungsgemeinschaft http://dx.doi.org/10.13039/501100001659
    Description: https://doi.org/10.5281/zenodo.6841964
    Keywords: ddc:551.6 ; climate change ; CMIP6 ; ENSO ; ENSO frequency
    Language: English
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  • 55
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    Extending MIEZE spectroscopy towards thermal wavelengths (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2024-02-05
    Description: A modulation of intensity with zero effort (MIEZE) setup is proposed for high‐resolution neutron spectroscopy at momentum transfers up to 3 Å〈sup〉−1〈/sup〉, energy transfers up to 20 meV and an energy resolution in the microelectronvolt range using both thermal and cold neutrons. MIEZE has two prominent advantages compared with classical neutron spin echo. The first is the possibility to investigate spin‐depolarizing samples or samples in strong magnetic fields without loss of signal amplitude and intensity. This allows for the study of spin fluctuations in ferromagnets, and facilitates the study of samples with strong spin‐incoherent scattering. The second advantage is that multi‐analyzer setups can be implemented with comparatively little effort. The use of thermal neutrons increases the range of validity of the spin‐echo approximation towards shorter spin‐echo times. In turn, the thermal MIEZE option for greater ranges (TIGER) closes the gap between classical neutron spin‐echo spectroscopy and conventional high‐resolution neutron spectroscopy techniques such as triple‐axis, time‐of‐flight and back‐scattering. To illustrate the feasibility of TIGER, this paper presents the details of its implementation at the RESEDA beamline at FRM II by means of an additional velocity selector, polarizer and analyzer.
    Description: A modulation of intensity with zero effort (MIEZE) setup is proposed for high‐resolution neutron spectroscopy at momentum transfers up to 3 Å〈sup〉−1〈/sup〉, energy transfers up to 20 meV and an energy resolution in the microelectronvolt range using both thermal and cold neutrons.
    Keywords: ddc:548 ; neutron resonant spin echo ; MIEZE ; quasielastic scattering ; thermal neutrons
    Language: English
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  • 56
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    Extreme conditions research using the large‐volume press at the P61B endstation, PETRA III (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2024-02-05
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉Penetrating, high‐energy synchrotron X‐rays are in strong demand, particularly for high‐pressure research in physics, chemistry and geosciences, and for materials engineering research under less extreme conditions. A new high‐energy wiggler beamline P61 has been constructed to meet this need at PETRA III in Hamburg, Germany. The first part of the paper offers an overview of the beamline front‐end components and beam characteristics. The second part describes the performance of the instrumentation and the latest developments at the P61B endstation. Particular attention is given to the unprecedented high‐energy photon flux delivered by the ten wigglers of the PETRA III storage ring and the challenges faced in harnessing this amount of flux and heat load in the beam. Furthermore, the distinctiveness of the world's first six‐ram Hall‐type large‐volume press, Aster‐15, at a synchrotron facility is described for research with synchrotron X‐rays. Additionally, detection schemes, experimental strategies and preliminary data acquired using energy‐dispersive X‐ray diffraction and radiography techniques are presented.〈/p〉
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉The operation of the P61B endstation large‐volume press and optics of P61 are reviewed. The instrumentation at P61B, including the large‐volume press, detection systems and data acquisition for 〈italic〉in situ〈/italic〉 high‐pressure experiments are described.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005775:jsy2ju5040:jsy2ju5040-fig-0001"〉 〈/graphic〉〈/boxed-text〉〈/p〉
    Keywords: ddc:550.724 ; extreme conditions ; high‐pressure ; large‐volume press ; energy‐dispersive X‐ray diffraction ; radiography ; resistive heating ; ultrasonic interferometry ; acoustic emissions detection
    Language: English
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  • 57
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    Quantifying electron cascade size in various irradiated materials for free‐electron laser applications (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-12-12
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉Studying electron‐ and X‐ray‐induced electron cascades in solids is essential for various research areas at free‐electron laser facilities, such as X‐ray imaging, crystallography, pulse diagnostics or X‐ray‐induced damage. To better understand the fundamental factors that define the duration and spatial size of such cascades, this work investigates the electron propagation in ten solids relevant for the applications of X‐ray lasers: Au, B〈sub〉4〈/sub〉C, diamond, Ni, polystyrene, Ru, Si, SiC, Si〈sub〉3〈/sub〉N〈sub〉4〈/sub〉 and W. Using classical Monte Carlo simulation in the atomic approximation, we study the dependence of the cascade size on the incident electron or photon energy and on the target parameters. The results show that an electron‐induced cascade is systematically larger than a photon‐induced cascade. Moreover, in contrast with the common assumption, the maximal cascade size does not necessarily coincide with the electron range. It was found that the cascade size can be controlled by careful selection of the photon energy for a particular material. Photon energy, just above an ionization potential, can essentially split the absorbed energy between two electrons (photo‐ and Auger), reducing their initial energy and thus shrinking the cascade size. This analysis suggests a way of tailoring the electron cascades for applications requiring either small cascades with a high density of excited electrons or large‐spread cascades with lower electron densities.〈/p〉
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉Studying electron‐ and X‐ray‐induced electron cascades in solids is essential for various research areas at free‐electron laser facilities, such as X‐ray imaging, crystallography, pulse diagnostics or X‐ray‐induced damage. To better understand the fundamental factors that define the duration and spatial size of such cascades, this work investigates the electron propagation in ten solids relevant for the applications of X‐ray lasers. Using classical Monte Carlo simulation in the atomic approximation, the dependence of the cascade size on the incident electron or photon energy and on the target parameters is studied.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005775:jsy2gb5123:jsy2gb5123-fig-0001"〉 〈/graphic〉〈/boxed-text〉〈/p〉
    Keywords: ddc:548 ; electron cascades ; X‐ray free‐electron lasers ; Monte Carlo ; photon‐induced cascade ; electron transport
    Language: English
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    On the representation of atmospheric circulation modes in regional climate models over Western Europe (2022)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2023-12-16
    Description: Atmospheric circulation is a key driver of climate variability, and the representation of atmospheric circulation modes in regional climate models (RCMs) can enhance the credibility of regional climate projections. This study examines the representation of large‐scale atmospheric circulation modes in Coupled Model Inter‐comparison Project phase 5 RCMs once driven by ERA‐Interim, and by two general circulation models (GCMs). The study region is Western Europe and the circulation modes are classified using the Promax rotated T‐mode principal component analysis. The results indicate that the RCMs can replicate the classified atmospheric modes as obtained from ERA5 reanalysis, though with biases dependent on the data providing the lateral boundary condition and the choice of RCM. When the boundary condition is provided by ERA‐Interim that is more consistent with observations, the simulated map types and the associating time series match well with their counterparts from ERA5. Further, on average, the multi‐model ensemble mean of the analysed RCMs, driven by ERA‐Interim, indicated a slight improvement in the representation of the modes obtained from ERA5. Conversely, when the RCMs are driven by the GCMs that are models without assimilation of observational data, the representation of the atmospheric modes, as obtained from ERA5, is relatively less accurate compared to when the RCMs are driven by ERA‐Interim. This suggests that the biases stem from the GCMs. On average, the representation of the modes was not improved in the multi‐model ensemble mean of the five analysed RCMs driven by either of the GCMs. However, when the best‐performed RCMs were selected on average the ensemble mean indicated a slight improvement. Moreover, the presence of the North Atlantic Oscillation (NAO) in the simulated modes depends also on the lateral boundary conditions. The relationship between the modes and the NAO was replicated only when the RCMs were driven by reanalysis. The results indicate that the forcing model is the main factor in reproducing the atmospheric circulation.
    Keywords: ddc:551.6 ; general circulation model ; large‐scale atmospheric circulation modes ; multi‐model ensemble ; regional climate model ; Western Europe
    Language: English
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    Understanding summer wind systems over the eastern Mediterranean in a high‐resolution climate simulation (2022)
    Latt, Melissa R. ; Hochman, Assaf ; Caldas‐Alvarez, Alberto ; [et al.]
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2024-01-12
    Description: Regional and local wind systems are often complex, particularly near coastal areas with a highly variable orography. Thus, the realistic representation of regional wind systems in weather and climate models is of strong relevance. Here, we evaluate the ability of a 13‐year convection‐permitting climate simulation in reproducing the interaction of several regional summer wind systems over the complex orography in the eastern Mediterranean region. The COSMO‐CLM simulations are driven by hourly ERA‐5 reanalysis and have a spatial resolution of 2.8 and 7.0 km. The simulated near‐surface wind fields are compared with unique very high‐resolution wind observations collected within the “Dead Sea Research Venue” project (DESERVE) and data from the Israel Meteorological Service synop network. The high‐resolution COSMO‐CLM simulations largely reproduce the main characteristics of the regional wind systems (Mediterranean and Dead Sea breeze, slope winds in the Judean Mountains and winds along the Jordan Rift valley), whereas ERA‐5 is only able to represent the Mediterranean Sea breeze. The high‐resolution simulations substantially improve the representation of regional winds, particularly over complex orography. Indeed, the 2.8 km simulation outperforms the 7.0 km run, on 88% of the days. Two mid‐July 2015 case studies show that only the 2.8 simulation can realistically simulate the penetration of the Mediterranean Sea Breeze into the Jordan Rift valley and complex interactions with other wind systems like the Dead Sea breeze. Our results may have profound implications for regional weather and climate prediction since very high‐resolution information seems to be necessary to reproduce the main summertime climatic features in this region. We envisage that such simulations may also be required at other regions with complex orography.
    Description: In this paper we show that COSMO‐CLM regional climate model simulations at 7.0 (CLM‐7.0) and 2.8km (CLM‐2.8) resolution can realistically reproduce near‐surface regional and local wind systems over the complex orography of the eastern Mediterranean as opposite to coarser resolutions (ERA‐5, 31 km). The Mediterranean and local Dead Sea breezes, slope winds over the Judean Mountains, and winds along the Jordan Rift valley are well represented both climatologically and on individual days. CLM‐2.8 captures the small‐scale variability of the wind field better than CLM‐7.0 particularly near the Dead Sea and on 88% of the days CLM‐2.8 represents wind speed even more realistically than CLM‐7.0. image
    Description: German Helmholtz Association (“Changing Earth” program)
    Description: AXA Research Fund http://dx.doi.org/10.13039/501100001961
    Description: Ministry of Science, Research and Arts
    Description: Helmholtz Association of German Research Centers
    Keywords: ddc:551.6 ; complex orography ; convection permitting ; COSMO‐CLM ; Dead Sea ; eastern Mediterranean ; grid spacing ; regional climate modelling ; sea breeze
    Language: English
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    Using hydro‐morphological assessment parameters to estimate the flood‐induced vulnerability of watercourses ‐ a methodological approach across three spatial scales in Germany and the Czech Republic (2022)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2024-01-22
    Description: 〈title xmlns:mml="http://www.w3.org/1998/Math/MathML"〉Abstract〈/title〉〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉In addition to their ecological importance, rivers and streams have always been used in diverse ways by humans, resulting in the development of settlements and their connected built environments along many of the world's watercourses. During heavy rainfall, buildings, traffic infrastructure and water‐related infrastructure are exposed to potential hazards in the form of (flash) floods. In contrast to near‐natural watercourses, anthropogenically modified channels in urban areas are particularly susceptible to damage by flooding. Previous damage assessments have highlighted the need to forecast such damage to watercourses in order to identify critical areas and justify the selection and expansion of adaptation measures. Within the scope of the current study, we have developed a method based on the hydro‐morphological properties of watercourses to make transferable estimates of the economic damage potential based on ecologically‐relevant parameters. Using a scale‐specific cause‐effect analysis, we have identified characteristics of the watercourse type and adjacent structures as well as construction‐related properties of reinforcements that can increase the damage potential during flooding. In this way, we are able to show that several influencing factors determine the vulnerability of watercourses: in addition to the specific longitudinal gradient and size (macroscale) of various watercourse types, damage‐relevant boundary conditions in watercourse sections (mesoscale) and the resistance of typical bed and bank constructions are also important, reflecting the specific structural conditions. Taking rivers in Germany and the Czech Republic as case studies, in the following, we review the local identification of critical areas and describe the necessary data management. The presented “Hydro‐morphological based Vulnerability Assessment‐Concept (HyVAC)” can contribute to the flood damage prevention at watercourses by utilizing existing basic data to the greatest possible extent and thus is suitable for preliminary investigations according to the EC Flood Risk Management Directive.〈/p〉
    Description: STRIMA II
    Description: EU‐funded research project
    Keywords: ddc:551.48 ; assessment parameters ; flood risk management ; hydro‐morphology ; vulnerability ; watercourses
    Language: English
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    The PERCIVAL detector: first user experiments (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2024-03-13
    Description: The PERCIVAL detector is a CMOS imager designed for the soft X‐ray regime at photon sources. Although still in its final development phase, it has recently seen its first user experiments: ptychography at a free‐electron laser, holographic imaging at a storage ring and preliminary tests on X‐ray photon correlation spectroscopy. The detector performed remarkably well in terms of spatial resolution achievable in the sample plane, owing to its small pixel size, large active area and very large dynamic range; but also in terms of its frame rate, which is significantly faster than traditional CCDs. In particular, it is the combination of these features which makes PERCIVAL an attractive option for soft X‐ray science.
    Keywords: ddc:548 ; X‐ray detectors ; soft X‐rays ; ptychography ; holographic imaging ; XPCS ; detectors
    Language: English
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    Modelling wind speed across Zambia: Implications for wind energy (2022)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2024-03-25
    Description: Wind energy is a key option in global dialogues about climate change mitigation. Here, we combined observations from surface wind stations, reanalysis datasets, and state‐of‐the‐art regional climate models from the Coordinated Regional Climate Downscaling Experiment (CORDEX Africa) to study the current and future wind energy potential in Zambia. We found that winds are dominated by southeasterlies and are rarely strong with an average speed of 2.8 m·s〈sup〉−1〈/sup〉. When we converted the observed surface wind speed to a turbine hub height of 100 m, we found a ~38% increase in mean wind speed for the period 1981–2000. Further, both simulated and observed wind speed data show statistically significant increments across much of the country. The only areas that divert from this upward trend of wind speeds are the low land terrains of the Eastern Province bordering Malawi. Examining projections of wind power density (WPD), we found that although wind speed is increasing, it is still generally too weak to support large‐scale wind power generation. We found a meagre projected annual average WPD of 46.6 W·m〈sup〉−2〈/sup〉. The highest WPDs of ~80 W·m−2 are projected in the northern and central parts of the country while the lowest are to be expected along the Luangwa valley in agreement with wind speed simulations. On average, Zambia is expected to experience minor WPD increments of 0.004 W·m〈sup〉−2〈/sup〉 per year from 2031 to 2050. We conclude that small‐scale wind turbines that accommodate cut‐in wind speeds of 3.8 m·s〈sup〉−1〈/sup〉 are the most suitable for power generation in Zambia. Further, given the limitations of small wind turbines, they are best suited for rural and suburban areas of the country where obstructions are few, thus making them ideal for complementing the government of the Republic of Zambia's rural electrification efforts.
    Description: Wind speed is very slow in Zambia. It is increasing but remains unlikely to support large commercial wind farms especially not at the 100‐m hub height. Any efforts for wind power generation in Zambia should be towards ultra‐tall wind turbines fitted with larger rotors.
    Description: Alexander von Humboldt‐Stiftung
    Keywords: ddc:333.9 ; CORDEX Africa ; renewable energy ; wind speed ; Zambia
    Language: English
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    Crystal structure of a calcium(II)–pyrroloquinoline quinone (PQQ) complex outside a protein environment (2021)
    5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2021-04-14
    Description: Pyrroloquinoline quinone (PQQ) is an important cofactor of calcium‐ and lanthanide‐dependent alcohol dehydrogenases, and has been known for over 30 years. Crystal structures of Ca–MDH enzymes (MDH is methanol dehydrogenase) have been known for some time; however, crystal structures of PQQ with biorelevant metal ions have been lacking in the literature for decades. We report here the first crystal structure analysis of a Ca–PQQ complex outside the protein environment, namely, poly[[undecaaquabis(μ‐4,5‐dioxo‐4,5‐dihydro‐1H‐pyrrolo[2,3‐f]quinoline‐2,7,9‐tricarboxylato)tricalcium(II)] dihydrate], {[Ca3(C14H3N2O8)2(H2O)11]·2H2O}n. The complex crystallized as Ca3PQQ2·13H2O with Ca2+ in three different positions and PQQ3−, including an extensive hydrogen‐bond network. Similarities and differences to the recently reported structure with biorelevant europium (Eu2PQQ2) are discussed.
    Description: Pyrroloquinoline quinone (PQQ) is an important cofactor of calcium‐ and lanthanide‐dependent alcohol dehydrogenases. The crystal structure of a Ca–PQQ complex (Ca3PQQ2·13H2O) is reported for the first time outside a protein environment. image
    Description: research
    Keywords: 548 ; pyrroloquinoline quinone ; calcium ; PQQ ; methanol dehydrogenase ; crystal structure ; FID-GEO-DE-7
    Language: English
    Type: article , publishedVersion
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    On incoherent diffractive imaging (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2022-04-07
    Description: Incoherent diffractive imaging (IDI) promises structural analysis with atomic resolution based on intensity interferometry of pulsed X‐ray fluorescence emission. However, its experimental realization is still pending and a comprehensive theory of contrast formation has not been established to date. Explicit expressions are derived for the equal‐pulse two‐point intensity correlations, as the principal measured quantity of IDI, with full control of the prefactors, based on a simple model of stochastic fluorescence emission. The model considers the photon detection statistics, the finite temporal coherence of the individual emissions, as well as the geometry of the scattering volume. The implications are interpreted in view of the most relevant quantities, including the fluorescence lifetime, the excitation pulse, as well as the extent of the scattering volume and pixel size. Importantly, the spatiotemporal overlap between any two emissions in the sample can be identified as a crucial factor limiting the contrast and its dependency on the sample size can be derived. The paper gives rigorous estimates for the optimum sample size, the maximum photon yield and the expected signal‐to‐noise ratio under optimal conditions. Based on these estimates, the feasibility of IDI experiments for plausible experimental parameters is discussed. It is shown in particular that the mean number of photons per detector pixel which can be achieved with X‐ray fluorescence is severely limited and as a consequence imposes restrictive constraints on possible applications.
    Description: Starting from a simple model of stochastic fluorescence emission, a theory is derived of contrast formation and signal‐to‐noise ratio for incoherent diffractive imaging; its feasibility for plausible experimental parameters is discussed. image
    Keywords: ddc:548
    Language: English
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    Habitat availability determines food chain length and interaction strength in food webs of a large lowland river (2021)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2022-04-07
    Description: Many large rivers used for navigation have lost their hydromorphological heterogeneity, which has led to the widespread loss of native biodiversity and the concurrent establishment of non‐native communities. While the effects on biodiversity are well‐described, we know little about how the loss of natural habitats and the restructuring of communities cumulate into effects on riverine food webs. We constructed binary and ingestion webs for benthic macroinvertebrates and their resources in the Elbe River (Germany) and compared if food chain length, food web complexity, robustness, ingestion rates, and consumer‐resource interaction strength differ among three shoreline engineering practices. Food webs at profoundly altered shorelines were significantly less complex and had significantly shorter food chains than the food web at the semi‐natural shoreline. However, food web robustness to a simulated loss of species was comparable at all shorelines. Total ingestion rates were up to eight times lower at highly altered shorelines due to significantly lower ingestion rates by native species. Predator–prey interaction strength was comparable among shorelines due to higher shares of non‐native predators, indicating that non‐native predators can be functionally equivalent to native predators. We attributed the observed food web differences to the absence of complex habitats at profoundly altered shorelines and the accompanied absence of specialized consumers. Our study provides empirical evidence that hydromorphological modifications reduce the efficiency of food webs to control organic matter dynamics and may ultimately affect the provisioning of riverine ecosystem services.
    Keywords: ddc:339.95 ; ddc:551.483
    Language: English
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    Adoption of multiple sustainable land management practices among irrigator rural farm households of Ethiopia (2021)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2022-04-01
    Description: Using a household and plot‐level survey conducted in Ethiopia, this study analyses the difference in farmers' adoption of sustainable land management (SLM) practices between their rainfed and irrigated plots. The paper also investigates the varying influence of different types of irrigation water management systems and associated irrigation technologies on the adoption of SLM practices in irrigated plots. After controlling for heterogeneity among different irrigation water management systems and technologies, we found that access to irrigation play major role in enhancing farmers' motivation to adopt more SLM practices. Furthermore, the combined effect of irrigation water management system and irrigation technology on type and number of SLM practices adopted is quite varied and very significant. The evidence highlights that farmers adopt more SLM practices in their plots with pump irrigation compared with those plots where gravity irrigation is applied because pump irrigation systems enhance complementarities with SLM practices. Finally, the findings underscore that the type of irrigation water management and the irrigation technology applied play an important role in restoring degraded lands and maintaining soil fertility, even when farmers' adoption of irrigation was not explicitly triggered by concerns for soil health.
    Description: Center for Development Research (ZEF), University of Bonn
    Description: CGIAR Research Program on Water, Land, and Ecosystems
    Description: Deutscher Akademischer Austauschdienst (DAAD) http://dx.doi.org/10.13039/501100001655
    Description: Dr. Hermann Eiselen Doctoral Program of the Foundation Fiat
    Description: Federal Ministry for Economic Cooperation and Development (BMZ) of Germany, The Water‐Energy‐Food Nexus: Global, Basin and Local Case Studies of Resource Use Efficiency Under Growing Natural Resource Scarcity
    Keywords: ddc:631
    Language: English
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    The HydroEcoSedimentary tool: An integrated approach to characterise interstitial hydro‐sedimentary and associated ecological processes (2021)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2022-04-01
    Description: Increased deposition of fine sediments in rivers and streams affects a range of key ecosystem processes across the sediment–water interface, and it is a critical aspect of river habitat degradation and restoration. Understanding the mechanisms leading to fine sediment accumulation along and across streambeds and their effect on ecological processes is essential for comprehending human impacts on river ecosystems and informing river restoration. Here, we introduce the HydroEcoSedimentary tool (HEST) as an integrated approach to assess hydro‐sedimentary and ecologically relevant processes together. The HEST integrates the estimation of sedimentary processes in the interstitial zone, as well as hydraulic, geochemical and ecological assessments, with a focus on brown trout early life stages. Compared to other methods, the HEST expands the possibilities to monitor and quantify fine sediment deposition in streambeds by differentiating between vertical, lateral and longitudinal infiltration pathways, and distinguishing between the depth (upper vs. lower layers) at which interstitial processes occur within the sediment column. By testing the method in two rivers with different degrees of morphological degradation, we detail the possible measurements and uses of the HEST, demonstrate its feasibility and discuss its reliability.
    Description: Alexander von Humboldt‐Stiftung http://dx.doi.org/10.13039/100005156
    Description: Bavarian State Ministry of Science and Arts (Bayerisches Staatsministerium für Wissenschaft und Kunst)
    Keywords: ddc:551.48 ; ddc:550.724
    Language: English
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    The effect of stream shading on the inflow characteristics in a downstream reservoir (2021)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2022-04-01
    Description: In thermally stratified reservoirs, inflows form density currents according to the interplay between inflow temperature and reservoir stratification. The temperature of inflowing water is affected by catchment properties, including shading by riparian vegetation. We hypothesize that the degree of shading in the catchment can affect the inflow dynamics in downstream reservoirs by changing inflow temperature and consequently the nature of the density current. We test it for a subtropical drinking water reservoir by combining catchment‐scale hydrological and stream temperature modeling with observations of reservoir stratification. We analyze the formation of density currents, defined as under, inter and overflow, for scenarios with contrasting shading conditions in the catchment. Inflow temperatures were simulated with the distributed water‐balance model LARSIM‐WT, which integrates heat‐balance and water temperature. River temperature measurements and simulations are in good agreement with a RMSE of 0.58°C. In simulations using the present state of shading, underflows are the most frequent flow path, 63% of the annual period. During the remaining time, river intrusion form interflows. In a scenario without stream shading, average inflow temperature increased by 2.2°C. Thus, interflows were the most frequent flow path (51%), followed by underflows (34%) and overflows (15%). With this change, we would expect a degradation of reservoir water quality, as overflows promote longer periods of anoxia and nutrient loads would be delivered to the photic zone, a potential trigger for algae blooms. This study revealed a potentially important, yet unexplored aspect of catchment management for controlling reservoir water quality.
    Description: Bundesministerium für Bildung und Forschung http://dx.doi.org/10.13039/501100002347
    Description: https://doi.org/10.5281/zenodo.4746288
    Keywords: ddc:628.1 ; ddc:551.48
    Language: English
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    Impact of a large artificial lake on regional climate: A typical meteorological year Meso‐NH simulation results (2021)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2022-04-01
    Description: Large artificial lakes and reservoirs affect the meteorological regime of the shore area and the local climate takes on a number of new features that were previously absent. This work focuses on the weather impact of the Alqueva reservoir, the largest artificial lake in Western Europe. An extensive set of numerical simulations using Meso‐NH mesoscale atmospheric model coupled with FLake (Freshwater Lake) scheme was carried out. The simulations covered a 12‐month period that was chosen to compose a so‐called Typical Meteorological Year. This artificial time period is meant to represent the typical meteorological conditions in the region and the model results are used to assess the changes in the local climate. To evaluate the raw impact of the reservoir, two different scenarios of simulations were compared: (A) with the reservoir as it exists nowadays and (B) without the reservoir using the older surface dataset. The results show decrease of air temperature during daytime (10–9°C) and nighttime increase (up to 10°C). In nearest towns, daily maximum temperature decreased and daily minimum temperature increased, which refers to milder weather conditions. Alqueva mainly showed suppression in fog formation in the nearby area. Local breeze regime was studied and monthly lake/land breezes were described.
    Description: Large lakes and artificial reservoirs can affect the meteorological regime of their coastal areas and impact the local climate. This work focuses on the weather impact of the Alqueva reservoir, the largest artificial lake in Western Europe, studied on the basis of mesoscale atmospheric modelling data over the 12‐month period composed in a typical meteorological year for the region of interest.
    Description: ALOP project
    Description: COMPETE 2020 ICT project
    Description: Fundação para a Ciência e a Tecnologia http://dx.doi.org/10.13039/501100001871
    Description: TOMAQAPA
    Description: http://mesonh.aero.obs-mip.fr/mesonh54/Download
    Keywords: ddc:551.6
    Language: English
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    Targeted covariance inflation for 3D‐volume radar reflectivity assimilation with the LETKF (2021)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2022-03-31
    Description: The local ensemble transform Kalman filter (LETKF) suggested by Hunt et al., 2007 is a very popular method for ensemble data assimilation. It is the operational method for convective‐scale data assimilation at Deutscher Wetterdienst (DWD). At DWD, based on the LETKF, three‐dimensional volume radar observations are assimilated operationally for the operational ICON‐D2. However, one major challenge for the LETKF is the situation where observations show precipitation (reflectivity) whereas all ensemble members do not show such reflectivity at a given point in space. In this case, there is no sensitivity of the LETKF with respect to the observations, and the analysis increment based on the observed reflectivity is zero. The goal of this work is to develop a targeted covariance inflation (TCI) for the assimilation of 3D‐volume radar data based on the LETKF, adding artificial sensitivity and making the LETKF react properly to the radar observations. The basic idea of the TCI is to employ an additive covariance inflation as entrance point for the LETKF. Here, we construct perturbations to the simulated observation which are used by the core LETKF assimilation step. The perturbations are constructed such that they exhibit a correlation between humidity and reflectivity. This leads to a change in humidity in such a way that precipitation is more likely to occur. We describe and demonstrate the theoretical basis of the method. We then present a case study where targeted covariance inflation leads to a clear improvement of the LETKF and precipitation forecast. All examples are based on the German radar network and the ICON‐D2 model over Central Europe.
    Description: The goal of this work is to develop a targeted covariance inflation (TCI) for the assimilation of 3D‐volume radar data based on the local ensemble transform Kalman filter (LETKF), adding artificial sensitivity and making the LETKF react properly to the radar observations. Perturbations to the simulated observations are constructed such that they exhibit an empirically derived correlation between humidity and reflectivity. This leads to a change in humidity in such a way that precipitation is more likely to occur.
    Description: Deutsche Forschungsgemeinschaft http://dx.doi.org/10.13039/501100001659
    Keywords: ddc:551.5
    Language: English
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    Multi‐objective downscaling of precipitation time series by genetic programming (2021)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2022-03-28
    Description: We use symbolic regression to estimate daily precipitation amounts at six stations in the Alpine region from a global reanalysis. Symbolic regression only prescribes the set of mathematical expressions allowed in the regression model, but not its structure. The regression models are generated by genetic programming (GP) in analogy to biological evolution. The two conflicting objectives of a low root‐mean‐square error (RMSE) and consistency in the distribution between model and observations are treated as a multi‐objective optimization problem. This allows us to derive a set of downscaling models that represents different achievable trade‐offs between the two conflicting objectives, a so‐called Pareto set. Our GP setup limits the size of the regression models and uses an analytical quotient instead of a standard or protected division operator. With this setup we obtain models that have a generalization performance comparable with generalized linear regression models (GLMs), which are used as a benchmark. We generate deterministic and stochastic downscaling models with GP. The deterministic downscaling models with low RMSE outperform the respective stochastic models. The stochastic models with low IQD, however, perform slightly better than the respective deterministic models for the majority of cases. No approach is uniquely superior. The stochastic models with optimal IQD provide useful distribution estimates that capture the stochastic uncertainty similar to or slightly better than the GLM‐based downscaling.
    Description: We have fitted deterministic and stochastic empirical‐statistical downscaling models that represent different possible compromises between two conflicting objectives: (a) a low RMSE and (b) consistency in the distribution between downscaled series and reference observations. The graphic shows the skill of our downscaling models w.r.t. the two objectives (larger is better) for the station Sonnblick.
    Description: CRC/TR32: Patterns in Soil‐Vegetation‐Atmosphere Systems: Monitoring, Modelling and Data Assimilation; funded by the German Research Foundation (Deutsche Forschungsgemeinschaft DFG) http://dx.doi.org/10.13039/501100001659
    Keywords: ddc:551.577 ; ddc:550.2
    Language: English
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    Sensitivity to changes in the surface‐layer turbulence parameterization for stable conditions in winter: A case study with a regional climate model over the Arctic (2021)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2022-03-23
    Description: The modeling of the atmospheric boundary layer over sea ice is still challenging because of the complex interaction between clouds, radiation and turbulence over the often inhomogeneous sea ice cover. There is still much uncertainty concerning sea ice roughness, near‐surface thermal stability and related processes, and their accurate parameterization. Here, a regional Arctic climate model forced by ERA‐Interim data was used to test the sensitivity of climate simulations to a modified surface flux parameterization for wintertime conditions over the Arctic. The reference parameterization as well as the modified one is based on Monin–Obukhov similarity theory, but different roughness lengths were prescribed and the stability dependence of the transfer coefficients for momentum, heat and moisture differed from each other. The modified parameterization accounts for the most comprehensive observations that are presently available over sea ice in the inner Arctic. Independent of the parameterization used, the model was able to reproduce the two observed dominant winter states with respect to cloud cover and longwave radiation. A stepwise use of the different parameterization assumptions showed that modifications of both surface roughness and stability dependence had a considerable impact on quantities such as air pressure, wind and near‐surface turbulent fluxes. However, the reduction of surface roughness to values agreeing with those observed during the Surface Heat Budget of the Arctic Ocean campaign led to an improvement in the western Arctic, while the modified stability parameterization had only a minor impact. The latter could be traced back to the model's underestimation of the strength of stability over sea ice. Future work should concentrate on possible reasons for this underestimation and on the question of generality of the results for other climate models.
    Description: The modeling of the atmospheric boundary layer over sea ice is challenging. This is, among others, due to the distinct sea ice surface roughness and pressure ridges as shown in the image, and the often stably stratified atmosphere. We quantified the impact of used parameterizations and show that both surface roughness and stability dependence have a considerable impact on near‐surface turbulent fluxes and atmospheric circulation in Arctic climate simulations.
    Description: German Research Foundation (DFG)
    Description: Helmholtz Association (HGF), POLEX http://dx.doi.org/10.13039/100003872
    Description: Russian Science Foundation (RSF) http://dx.doi.org/10.13039/501100006769
    Keywords: ddc:551.5
    Language: English
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    Variability of the precipitation over the Tianshan Mountains, Central Asia. Part I: Linear and nonlinear trends of the annual and seasonal precipitation (2021)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2022-03-29
    Description: The Tianshan Mountains, with their status as ‘water tower’, receive quantities of precipitation that are among the highest in Central Asia. There are considerable knowledge gaps regarding the understanding of spatial and temporal patterns of precipitation over this water‐scarce region. Based on the Global Precipitation Climatology Centre (GPCC) data set, this study evaluated the precipitation variations over Tianshan Mountains on different time scales by using Mann‐Kendall (M‐K) test approaches and the ensemble empirical mode decomposition (EEMD) method. The results show that (a) most parts of Tianshan experienced increasing annual precipitation during 1950–2016 while Western Tianshan, which is the wettest region, faced a downtrend of precipitation during the same 67 years; (b) the annual precipitation in the Tianshan Mountains has exhibited high‐frequency variations with 3‐ and 6‐year quasi‐periods and low‐frequency variations with 12‐, 27‐year quasi‐periods. On the decadal scale, Tianshan had two dry periods (1950–1962 and 1973–1984) and two wet periods (1962–1972 and 1985–2016) and has experienced a tendency of continuous humidification since 2004; (c) the precipitation over the Tianshan Mountains shows a strong seasonality. In total, 63.6% of all precipitation falls in spring and summer. Distinctive differences are found in seasonal precipitation variations among the sub‐Tianshan regions. Obvious upward trends of precipitation over Eastern Tianshan were found in all seasons, with Eastern Tianshan entering a humid period as early as 1986. Northern and Central Tianshan experienced a decreasing trend in summer and spring. However, in the other seasons, those two sub‐Tianshan regions have been in humid periods since the 1990s. The precipitation over Western Tianshan showed an upward trend in summer and autumn. The obvious downward trends in spring and winter have led to dry periods in these two seasons from 1997–2014 to 2008–2016, respectively.
    Description: Most parts of Tianshan experienced increasing annual precipitation during 1950–2016 while Western Tianshan, which is the wettest region, faced a downtrend of precipitation during the same 67 years. Distinctive differences are found in seasonal precipitation variations among the sub‐Tianshan regions.
    Description: Humboldt‐Universität zu Berlin National Natural Science Foundation of China
    Description: China Scholarship Council (CSC)
    Keywords: ddc:551.6
    Language: English
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    Synoptic circulation changes over Central Europe from 1900 to 2100: Reanalyses and Coupled Model Intercomparison Project phase 6 (2021)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2022-09-27
    Description: While the evidence for anthropogenic climate change continues to strengthen, and concerns about severe weather events are increasing, global projections of regional climate change are still uncertain due to model‐dependent changes in large‐scale atmospheric circulation, including over North Atlantic and Europe. Here, the Jenkinson–Collison classification of daily circulation patterns is used to evaluate past and future changes in their seasonal frequencies over Central Europe for the 1900–2100 period. Three reanalyses and eight global climate models from the Coupled Model Intercomparison Project phase 6, were used based on daily mean sea‐level pressure data. Best agreement in deriving relative frequencies of the synoptic types was found between the reanalyses. Global models can generally capture the interannual variability of circulation patterns and their climatological state, especially for the less frequent synoptic types. Based on historical data and the shared socioeconomic pathway 5 scenario, the evaluated trends show more robust signals during summer, given their lesser internal variability. Increasing frequencies were found for circulation types characterized by weak pressure gradients, mainly at the expense of decreasing frequencies of westerlies. Our findings indicate that given a high‐emission scenario, these signals will likely emerge from past climate variability towards the mid‐21st century for most altered circulation patterns.
    Description: Daily synoptic circulation patterns are derived using the Jenkinson–Collinson automated classification over Central Europe to evaluate past and future changes in their temporal frequencies. Reanalyses and eight global climate models from the CMIP6 were used based on the historical experiment and a high‐emission scenario. More robust signals were found during the summer season leading to emerging changes towards the mid‐21st century.
    Description: H2020 Marie Skłodowska‐Curie Actions http://dx.doi.org/10.13039/100010665
    Description: EU International Training Network (ITN) Climate Advanced Forecasting of sub‐seasonal Extremes (CAFE)
    Keywords: ddc:551.6
    Language: English
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    Recent evidence for warmer and drier growing seasons in climate sensitive regions of Central America from multiple global datasets (2021)
    John Wiley & Sons, Ltd. | Chichester, UK
    Details
    Publication Date: 2022-07-26
    Description: Smallholder livelihoods throughout Central America are built on rain‐fed agriculture and depend on seasonal variations in temperature and precipitation. Recent climatic shifts in this highly diverse region are not well understood due to sparse observations, and as the skill of global climate products have not been thoroughly evaluated. We examine the performance for several reanalysis and satellite‐based global climate data products (CHIRPS/CHIRTS, ERA5, MERRA‐2, PERSIANN‐CDR) as compared to the observation‐based GPCC precipitation dataset. These datasets are then used to evaluate the magnitude and spatial extent of hydroclimatic shifts and changes in aridity and drought over the last four decades. We focus on water‐limited regions that are important for rain‐fed agriculture and particularly vulnerable to further drying, and newly delineate those regions for Central America and Mexico by adapting prior definitions of the Central American Dry Corridor. Our results indicate that the CHIRPS dataset exhibits the greatest skill for the study area. A general warming of 0.2–0.8°C·decade−1 was found across the region, particularly for spring and winter, while widespread drying was indicated by several measures for the summer growing season. Changes in annual precipitation have been inconsistent, but show declines of 20–25% in eastern Honduras/Nicaragua and in several parts of Mexico. Some regions most vulnerable to drying have been subject to statistically significant trends towards summer drying, increases in drought and aridity driven by precipitation declines, and/or a lengthening of the winter dry season, highlighting areas where climate adaptation measures may be most urgent.
    Description: Over the past four decades, precipitation trends are the main driver of drought trends, with temperature trends playing a small role. The most widespread drying and increases in aridity have occurred during the summer growing season. Based on delimitations of water‐limited and climate‐sensitive regions (brown shading) that are important for rain‐fed agriculture, some of these highly vulnerable regions overlap with areas of significant drying (red), highlighting potential prioritization areas for climate adaptation measures. image
    Description: Deutsche Forschungsgemeinschaft http://dx.doi.org/10.13039/501100001659
    Description: Frias Institute of Advanced Studies (FRIAS) http://dx.doi.org/10.13039/501100003190
    Description: National Science Foundation http://dx.doi.org/10.13039/100000001
    Keywords: ddc:551.6
    Language: English
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    Recent developments in the Inorganic Crystal Structure Database: theoretical crystal structure data and related features (2019)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2022-03-24
    Description: The Inorganic Crystal Structure Database (ICSD) is the world's largest database of fully evaluated and published crystal structure data, mostly obtained from experimental results. However, the purely experimental approach is no longer the only route to discover new compounds and structures. In the past few decades, numerous computational methods for simulating and predicting structures of inorganic solids have emerged, creating large numbers of theoretical crystal data. In order to take account of these new developments the scope of the ICSD was extended in 2017 to include theoretical structures which are published in peer‐reviewed journals. Each theoretical structure has been carefully evaluated, and the resulting CIF has been extended and standardized. Furthermore, a first classification of theoretical data in the ICSD is presented, including additional categories used for comparison of experimental and theoretical information.
    Description: The article discusses how theoretical crystal data are supplementing experimental data for simulation and prediction of structures of inorganic solids in the Inorganic Crystal Structure Database.
    Keywords: ddc:548
    Language: English
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    The LUCIFER control software (2010)
    Univ. Bochum
    Details
    Publication Date: 2020-10-07
    Description: Die Dissertation behandelt die Konzepte sowie die Implementierung der operativen Aspekte der Kontrollsoftware des LUCIFER Instruments. Diese ist in vier Schichten aufgeteilt. Die Schnittstelle zwischen Software und Hardware bildet die Control-Schicht. In der Instrument-Schicht sind alle Komponenten des Instruments als Software-Dienste abgebildet und erfüllen die jeweils für diese Komponente notwendigen Aufgaben. In der obersten Schicht sind die wesentlichen Manager-Dienste beheimatet. Durch Beobachtungsskripte ist eine automatische Steuerung von Instrument und Teleskop möglich. Weiterhin wurden die stellaren Populationen im Zentrum von vier Galaxien untersucht. Ein Vergleich mit publizierten Werten für ähnliche Galaxien zeigt keinen signifikanten Trend zu jüngeren Populationen in den Galaxien, die einen Pseudo-Bulge zeigen. Eine Galaxie zeigt deutliche Hinweise auf eine sehr alte stellare Population im Buge, deutlich älter als die Populationen von elliptischen Galaxien.
    Description: thesis
    Keywords: 520 ; TCM 000 ; TIE 400 ; Mathematische und EDV-Verfahren {Astronomie} ; Spektren und Leuchtkraft von Sternsystemen {Astronomie}
    Language: English
    Type: monograph , publishedVersion
    Format: 142 S.
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    The formation of massive stars (2010)
    Univ. Bochum
    Details
    Publication Date: 2021-03-29
    Description: thesis
    Keywords: 523 ; TEG 000 ; THT 800 ; Kosmogonie {Astronomie} ; Massenreiche Sterne {Astronomie}
    Language: English
    Type: monograph , publishedVersion
    Format: 131 S.
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    Nonlinear electron synchrotron cooling and synchrotron self Compton flaring of TeV blazars (2010)
    Univ. Bochum
    Details
    Publication Date: 2021-03-29
    Description: We investigate the double-peak profile of the emission of powerful cosmic non-thermal radiation sources with dominant magnetic field self-generation like TeV blazars. Therefore, we assume a flare to occur in the emission knot due to the uniform instantaneous injection of monoenergetic ultra-relativistic electrons via a relativistic pick-up process. The electrons are subjected to a linear or nonlinear synchrotron radiation cooling and the synchrotron photons are multiple Thomson scattered off their generating electrons (SSC process). We work out the differences between single and multiple instantaneous injections of monoenergetic relativistic electrons. This is of great interest, because it is very likely that injections into the plasmoids occur repeatedly, so that this would explain the short-time energy variability of blazars. We also compute for the first time the nonlinear SSC radiation quantities using a Thomson limit approximation and the full Klein-Nishina cross section.
    Description: thesis
    Keywords: 523 ; TIE 900 ; Sonstige Sternensysteme {Astronomie}
    Language: English
    Type: monograph , publishedVersion
    Format: 84 S.
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    Search for tidal streams in disk and halo (2010)
    Univ. Bochum
    Details
    Publication Date: 2021-03-29
    Description: This work deals with the search for substructures in four nearby galaxies (NGC 300, NGC 7793, M 33, M 83) in which it is possible to resolve single stars in their outer parts.The search is based on the photometry of wide field imaging data. This photometry is further analysed by the use of classical methods (colour-magnitude-diagrams, star counts) and by the use of data-mining tools (fuzzy c-means clustering). Finally, it could be shown that three out of four galaxies show signs of substructure. In NGC 300 the analysis of the red-giant-branch stars revealed a truncation in the outer parts, while in NGC 7793 hints for a tidal stream or spiral arm were found. In case of M 83 it was possible to recover an already known surface brightness arc first seen on old photographic plates.
    Description: thesis
    Keywords: 523 ; TIE 400 ; TIE 500 ; Spektren und Leuchtkraft von Sternsystemen {Astronomie} ; Aufbau und Struktur von Sternsystemen {Astronomie}
    Language: English
    Type: monograph , publishedVersion
    Format: 151 S.
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    Gas kinematics in the haloes of nearby irregular Dwarf galaxies (2010)
    Univ. Bochum
    Details
    Publication Date: 2021-03-29
    Description: Die vorliegende Dissertation untersucht, ob heiße und expandierende Gasstrukturen gravitativ an ihre Galaxie gebunden sind (Ausfluss) oder ob sie das Gravitationspotential der Galaxie verlassen können (galaktischer Wind). Galaktische Winde, d.h. Massenverlust für die Galaxie und Anreicherung des intergalaktischen Mediums haben direkte Auswirkungen auf die Entwicklung von Galaxien und Galaxienhaufen. Spektroskopische Untersuchungen des neutralen und ionisierten Wasserstoffs wurden in einer Auswahl von vier nahen irregulären Zwerggalaxien durchgeführt. In allen vier Galaxien wurden expandierende Gasstrukturen gefunden und ihre Expansionsgeschwindigkeiten vermessen. Aus Dunkle Materie Halo Modellen wurde das Gravitationspotential der Galaxien abgeschätzt. Dadurch konnte gezeigt werden, dass das Gas in allen Fällen gravitativ gebunden bleibt. Dieses Ergebnis ist in Übereinstimmung mit hydrodynamischen Simulationen und legt nahe, dass galaktische Winde in masseärmeren Galaxien zu finden sind.
    Description: thesis
    Keywords: 523 ; TII 500 ; Emissionsnebel {Astronomie: Interstellare Materie}
    Language: English
    Type: monograph , publishedVersion
    Format: 136 S.
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    Cosmic rays and the magnetic field in the nearby starburst galaxy NGC 253 (2010)
    Univ. Bochum
    Details
    Publication Date: 2021-03-29
    Description: Beim Ras-RasGAP-Komplex ist die Hydrolyse des Guanosintriphosphats stark beschleunigt im Vergleich zu Ras allein. Dies wird hauptsächlich durch den Argininfinger R789 verursacht, der direkt zur Triphosphatgruppe zeigt. QM/MM-Simulationen wurden durchgeführt, bei denen das Triphosphat quantenmechanisch mithilfe der DFT behandelt wurde, während der Proteinkomplex und die Wasserumgebung klassisch beschrieben wurden. Im Vergleich zu Ras sind beim Ras-RasGAP-Komplex die entscheidende Elektronenverschiebung, die Bindungsverlängerung und die Verdrillung hin zu einer ekliptischen gamma-beta-Orientierung wesentlich stärker ausgeprägt. Der Argininfinger interagiert durch Verdrängung von Wassermolekülen aus der Bindenische. Das resultierende verstärkte elektrische Feld katalysiert den Bindungsbruch. Eine hypothetische Protonierung des beta-Phosphats führt zum Bindungsbruch. Nach Abschluss der Hydrolyse sind die Schwingungen des Mono- und Diphosphats über Dipol-Dipol-Wechselwirkung gekoppelt.
    Description: thesis
    Keywords: 523 ; TIE 400 ; Spektren und Leuchtkraft von Sternsystemen {Astronomie}
    Language: English
    Type: monograph , publishedVersion
    Format: 149 S.
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    Non-circular motions in dark matter halos (2010)
    Univ. Bochum
    Details
    Publication Date: 2021-03-29
    Description: Diese Dissertation untersucht, ob die Dynamik von Galaxien in Einklang mit den Ergebnissen aus CDM (cold dark matter) Simulationen ist. Im Wesentlichen wurden 19 Galaxien hinsichtlich Abweichungen von kreisförmigen Bewegungen analysiert. Diese nicht-kreisförmigen Bewegungen werden von den Simulationen vorhergesagt, um das lang bestehende cusp/core Problem zu erklären. Es konnte jedoch gezeigt werden, dass die Abweichungen von den kreisförmigen Bewegungen zu klein sind, um die Ergebnisse von CDM Simulationen mit den Beobachtungen in Einklang zu bringen. Große nicht-kreisförmige Bewegungen finden sich vor allem in den Zentren von massereichen Galaxien und Balkengalaxien. Dies lässt jedoch vermuten, dass diese Bewegungen durch baryonische Materie hervorgerufen werden und nicht durch den DM Halo. Die vorliegende Dissertation unterstreicht die Notwendigkeit, die CDM Simulationen zu verändern, bzw. alternative Lösungen zu CDM Modellen zu suchen.
    Description: thesis
    Keywords: 523 ; TII 100 ; Dunkle Materie {Astronomie: Interstellare Materie}
    Language: English
    Type: monograph , publishedVersion
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    Confinement and anisotropy of ultrahigh-energy cosmic rays in isotropic plasma wave turbulence (2010)
    Univ. Bochum
    Details
    Publication Date: 2021-03-29
    Description: We have investigated the implications of isotropically distributed interstellar magnetohydrodynamic plasma waves on the scattering mean free path and the spatial anisotropy of high-energy cosmic rays. We demonstrate a drastic modification of the energy dependence of both cosmic ray transport parameters compared to previous calculations that have assumed that the plasma waves propagate only parallel or antiparallel to the ordered magnetic field (slab turbulence).
    Description: thesis
    Keywords: 539.7223 ; 523 ; 550 ; TFE 000 ; TFG 000 ; Kosmische Elektrodynamik {Astrophysik} ; Magnetohydrodynamik und Plasma-Astrophysik
    Language: English
    Type: monograph , publishedVersion
    Format: 91 S.
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    Numerical investigation of the turbulent ISM (2010)
    Univ. Bochum
    Details
    Publication Date: 2021-03-29
    Description: In this work we introduced basic turbulence theory into the framework of the interstellar medium. In many cases turbulence simulations are applied to the interstellar medium (ISM) merely because it is a medium, where extremely high Reynolds numbers are actually realised, and the parameters of the ISM are only taken into account as far as they are needed for the turbulence research. Here, however, we investigated the basic turbulence properties, while at the same time we modelled the properties of the ISM as thoroughly as possible. The important point is that there are many physical processes going on in the ISM, which should be incorporated in the corresponding simulations. These processes reachfrom external influences of the radiation field originating from hot stars to the internal interaction of the particles culminating in the intricate chemistry of the molecular cloud medium. Each of the different phases of the ISM has its own dominant processes to be taken into account for a realistic modelling...
    Description: thesis
    Keywords: 523 ; TII 000 ; Interstellare Materie {Astronomie}
    Language: English
    Type: monograph , publishedVersion
    Format: 141 S.
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    The narrow line region of active galaxies (2010)
    Univ. Bochum
    Details
    Publication Date: 2021-03-29
    Description: This thesis presents an imaging and spectroscopic study of the narrow-line region (NLR) in active galactic nuclei (AGNs). We find a correlation between size and luminosity of the NLR with different slopes for type-1 and type-2 AGNs which can be explained by the observers viewing angle and a receding torus. The radial properties of the NLR gas, such as reddening, electron density, ionization parameter, and velocity field are analyzed. We derive pure emission-line spectra and use the resulting absorption-line free ratios for spatially resolved spectral diagnostics. We find a transition between the AGN-excited NLR and the surrounding star-forming regions, allowing us to determine the NLR size independent of stellar contamination. The electron density and ionization parameter decrease with radius indicating that the NLR is photoionized by the central source only.The velocity fields suggest a disky NLR gas distribution with the torus axis lying in the galaxy disk.
    Description: thesis
    Keywords: 523 ; TIE 400 ; Spektren und Leuchtkraft von Sternsystemen {Astronomie}
    Language: English
    Type: monograph , publishedVersion
    Format: 222 S.
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    The vertical structure of thickened bars in disk galaxies (2010)
    Univ. Bochum
    Details
    Publication Date: 2021-03-29
    Description: In der vorliegenden Dissertation wird die vertikale Struktur von edge-on Scheibengalaxien mit einer 'box or peanut shaped' (B/PS) Struktur in der Bulgeregion unter Verwendung von nahinfrarot Beobachtungen untersucht. Durch Nutzung von Konturhervorhebungsverfahren und Flaechenhelligkeitsprofilen entlang der Hauptachse der Galaxie kann gezeigt werden, dass Material aus der Scheibe in vertikaler Richtung umverteilt wird, und zur Entstehung der B/PS Struktur fuehrt. Dies ist in Einklang mit dem auf der vertikalen Ausdehnung eines in der Galaxie vorhandenen stellaren Balkens sich stuetzenden sekulaeren Evolutionsmodell. Die Analyse der vertikalen Flaechenhelligkeitsverteilung zeigt eine Variation der Skalenhoehe entlang der radialen Ausdehnung der stellaren Scheibe. Diese Variation wird hier zum ersten Mal deutlich beobachtet, wobei an der Position der B/PS Struktur ein lokales Maximum der Skalenhoehe festzustellen ist, im Einklang mit dem sekulaeren Evolutionsmodell.
    Description: thesis
    Keywords: 523 ; TBG 000 ; TIE 400 ; TIE 500 ; Infrarot-Astronomie ; Spektren und Leuchtkraft von Sternsystemen {Astronomie} ; Aufbau und Struktur von Sternsystemen {Astronomie}
    Language: English
    Type: monograph , publishedVersion
    Format: 178 S.
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    Acceleration and spatial diffusion of galactic cosmic rays (2010)
    Univ. Bochum
    Details
    Publication Date: 2021-03-29
    Description: In the present work analytical solutions of the transport equation for hadronic cosmic rays are calculated. With these, it is possible for the first time to fit the energy spectra of the cosmic protons measured at the position of the earth. A focus lies on the investigation of the spatial diffusion of the galactic cosmic ray nuclei and their stochastic reacceleration by plasma waves superimposed on the interstellar medium. A realistic spatial distribution of supernova remnants as primary sources of the galactic cosmic rays and, as an additional process, the solar modulation are taken into account. Different fit parameters are obtained. Additionally, analytical approximations of the momentum solution for a power law injection spectrum for small and large momenta are calculated for the case without and for the case with spallation losses.
    Description: thesis
    Keywords: 523 ; TFE 000 ; Kosmische Elektrodynamik {Astrophysik}
    Language: English
    Type: monograph , publishedVersion
    Format: 192 S.
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    Mechanical behavior of synthetic omphacite aggregates at high temperature and high pressure (2010)
    Univ. Bochum
    Details
    Publication Date: 2021-03-29
    Description: Triaxial compression experiments were performed on the synthesized samples and Fe-bearing clinopyroxenite in a solid medium apparatus at a confining pressure of 0.75 to 2.5 GPa, temperatures 900 to 1175oC, and strain rates between 1.1x10-6 s-1 to 8.5x 10-5 s-1. Samples of calcic compositions deformed at high differential stresses reveal abundant mechanical (100)[001] twins, whereas jadeite aggregates deformed at low differential stress show well developed subgrain boundaries. Combining the mechanical data and observed microstructures for deformed synthetic samples reveal that the deformation of diopside aggregates is controlled by dislocation glide, while the kinetics of dislocation climb controls the deformation of jadeite aggregates. The variation in strength with composition obeys scaling by the dependence of melting temperature and shear modulus on composition. In contrast to climb-controlled deformation, glide-controlled deformation should be insensitive to impurity concentrations.
    Description: thesis
    Keywords: 549 ; TQL 000 ; VAE 140 ; VGF 300 ; Sonstige Verfahren {Geophysik} ; Gesteinsdeformation {Strukturgeologie} ; Experimentelle Mineralogie
    Language: English
    Type: monograph , publishedVersion
    Format: 99 S.
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  • 90
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    Unknown
    Mineral solubility measurements at high pressures (2010)
    Univ. Bochum
    Details
    Publication Date: 2021-03-29
    Description: Löslichkeitsdaten gesteinsbildender Minerale unter hohen Drücken sind für unser Verständnis von Fluideigenschaften und Massentransport von Mineralen in der Erdkruste und oberen Mantel von großer Wichtigkeit. In dieser Arbeit wurden neue in situ Masseverlust Methoden entwickelt um Löslichkeiten zu bestimmen, die dann in einer hydrothermalen Diamant Stempel Zelle getestet wurden. In der ersten Methode wird die Tendenz von Kristallen ausgenutzt während eines Experiments eine idiomorphe Form anzunehmen. Die zweite Methode basiert auf Messung und Analyse der Doppelbrechung eines Kristalls um dessen Dicke zu bestimmen. Masseverluste von wenigen æg können so bestimmt werden. Beide Methoden sind bis in den ppm Bereich anwendbar. Die Ergebnisse dieser Arbeit tragen sowohl zu unserem technischen Verständnis von Hockdruck/Hochtemperatur Equipment bei als auch zu unserem allgemeinen Verständnis der chemischen Eigenschaften von Fluiden in Hochdruck Umgebungen wie z.B. in Subduktionszonen.
    Description: thesis
    Keywords: 549 ; TQL 000 ; VGF 300 ; VAE 140 ; Sonstige Verfahren {Geophysik} ; Experimentelle Mineralogie ; Gesteinsdeformation {Strukturgeologie}
    Language: English
    Type: monograph , publishedVersion
    Format: 232 S.
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  • 91
    facet.materialart.
    Unknown
    Development of pull apart basins and associated structures by the Riedel shear mechanism (2010)
    Univ. Bochum
    Details
    Publication Date: 2021-03-29
    Description: Die physikalischen und mechanischen Eigenschaften von tonartigen Materialien, die für die Skalierung von Analogexperimenten relevant sind, werden mit Hilfe von Konzepten der modernen Bodenmechanik analysiert. Ein Verfahren zur Bestimmung dieser Eigenschaften wird vorgestellt. Skalierte Tonexperimente mit Riedelschem Mechanismus wurden durchgeführt. Sie erzeugen typische Pull-apart Strukturen entlang Riedel Frakturen sowie Push-up Strukturen in dazwischen liegenden Flachen. Die Scherfestigkeit und die Dicke des Tonkuchens beeinflussen sowohl die Geometrie der Scherzonen als die benötigte Hauptverschiebungsgröße für die Entstehung der Riedel Scherfrakturen an der Oberflache des Tonkuchens. Pull-apart Becken, die durch Riedelschen Mechanismus erzeugt wurden, lassen sich auf der Insel Gozo (Strait of Sicily rift zone) beobachten. Die gleichzeitige Entwicklung der Push-up Horste ist im komplexen Blattverschiebungsbecken des Meers von Marmara zu finden.
    Description: thesis
    Keywords: 551.8 ; VAE 130 ; VAE 400 ; Geomechanik ; Tektogenese {Geologie}
    Language: English
    Type: monograph , publishedVersion
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  • 92
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    Unknown
    Inversion of gravity data with application to density modeling of the Hellenic subduction zone (2010)
    Univ. Bochum
    Details
    Publication Date: 2021-03-29
    Description: Diese Arbeit beschäftigt sich mit der Verknüpfung von manuellen und automatischen Inversionmethoden für die Interpretation gravimetrischer Anomalien. Eine neue Software mit dem Namen 3GRAINS wird vorgestellt. Sie wurde für das manuelle Modellieren entwickelt und benutzt rechteckförmige Prismen zur Berechnung des gravimetrischen Effekts eines Modells. Die Software bietet eine graphische Benutzeroberfläche, um eine komfortable Arbeit mit einer modellierten Struktur zu ermöglichen. Ein automatischer Inversionsalgorithmus basiert auf der Idee der evolutionären Berechnung. Die dargestellten Methoden werden auf die Interpretation der gravimetrischen Anomalien der Hellenischen Subduktionszone angewendet. Die tektonische Situation dieser Region und seismische Beobachtungen werden vorgestellt. Der Prozess der Datengewinnung und der Datenbearbeitung wird beschrieben. Schließlich werden die Ergebnisse der Interpretation der gravimetrischen Anomalien präsentiert.
    Description: thesis
    Keywords: 551 ; 622.15 ; 550 ; TOF 000 ; TQA 000 ; TSF 300 ; VAE 880 ; VEF 300 ; Schwerkraft {Geophysik} ; Gravimetrische Verfahren {Geophysik} ; Griechenland und griechische Inseln {Geophysik} ; Passive und aktive Kontinentalränder {Geologie} ; Griechenland und griechische Inseln {Geologie}
    Language: English
    Type: monograph , publishedVersion
    Format: 139 S.
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  • 93
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    Unknown
    Indentation methods in experimental rock deformation (2010)
    Univ. Bochum
    Details
    Publication Date: 2021-03-29
    Description: In dieser Studie wird das Potential von Indentationsexperimenten bei erhöhten Temperaturen in der Gesteinsmechanik erkundet. Mikrohärtemessungen mit einem pyramidenförmigen Indenter werden an Olivin- und Klinopyroxen-Körnern innerhalb eines Gesteinsaggregates durchgeführt. Die Abhängigkeit der Härte der Olivin-Kristalle von der Kristallorientierung wird untersucht und die Orientierung von Gleitstufen auf der Probenoberfläche verwendet, um die während der Indentationsexperimente aktivierten Gleitsysteme zu ermitteln. Mikrohärtemessungen an Jadeit und Diopsid dienen dazu, die relative Festigkeit dieser Mitglieder einer Mischkristallreihe zu analysieren. Indentationskriechexperimente mit einem zylindrischen Indenter werden verwendet, um das rheologische Verhalten einer Legierung zu untersuchen, die als Modelmaterial für ein silikatisches Gesteinsaggregat dient. Die Ergebnisse dieser Tests an der TiAl-Legierung werden mit denen einachsiger Kriechversuche am gleichen Material verglichen.
    Description: thesis
    Keywords: 551.1 ; 550 ; VAE 140 ; VAE 120 ; VBB 000 ; VAE 140 ; VAE 120 ; VBB 000 ; Gesteinsdeformation {Strukturgeologie} ; Methodik {Strukturgeologie} ; Experimentelle Geologie
    Language: English
    Type: monograph , publishedVersion
    Format: 78 S.
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  • 94
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    Unknown
    Multi-component evolution, age and plate tectonic setting of high MG lamprophyric dikes and small gabbroic intrusions on Isla Margarita (Venezuela) (2010)
    Univ. Bochum
    Details
    Publication Date: 2021-03-29
    Description: Die Isla Margarita (Venezuela) am Südrand der Karibischen Platte besteht aus einem heterogenen Krustenkomplex aus Peridotiten, Metamorphiten, diversen Magmatiten und sedimentärem Deckgebirge. Die jüngsten Magmatite sind Lamprophyrgänge und Gabbros basaltisch-andesitischer Zusammensetzung, deren hoher Anteil an kompatiblen Elementen und intermediärer Zusammensetzung auf starke Fraktionierung bei relativ hohen partiellen Aufschmelzgraden deutet. Variable Anreicherung an leichten Seltenen Erden und LILE sowie erhöhte Strontium- und Blei-Isotopenverhältnisse lassen auf eine zusätzliche Subduktionskomponente schließen. Die Entstehung der Magmen und die zeitliche Einordnung der Platznahme sind wichtige Anhaltspunkte für die Aufschlüsselung der tektonischen Entwicklung des Südrandes der Karibischen Platte und erlauben eine Korrelation mit plattentektonischen Modellen.
    Description: thesis
    Keywords: 552.1 ; 551.701 ; 550 ; VBN 500 ; VKB 130 ; VEW 200 ; Geochronologie einzelner Regionen im allgemeinen ; Petrologie der Ganggesteine ; Karibischer Raum {Geologie}
    Language: English
    Type: monograph , publishedVersion
    Format: 233 S.
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  • 95
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    Unknown
    Three-dimensional finite element modeling of slip rate variations on faults caused by glacial interglacial changes in ice and water volumes (2010)
    Univ. Bochum
    Details
    Publication Date: 2021-03-29
    Description: Paläoseismologische Daten lassen vermuten, dass viele aktive Störungen in unterschiedlichen tektonischen Settings eine Veränderung in der Bewegungsrate auf der Störung kurz nach dem Ende des letzten glazialen Maximums erfahren haben. Als Beispiel seien die postglazial entstandenen oder reaktivierten Pärve Überschiebung oder die Stuoragurra Überschiebung in Nord Skandinavien (Lappland Fault Province), aber auch die über Millionen Jahre aktive Wasatch Abschiebung in der Basin and Range Province oder die Tote Mehr Transform Störung genannt. In dieser Arbeit werden dreidimensionale Finite Elemente Modelle benutzt um den Einfluss von Lastwechseln auf der Erdoberfläche auf das Verhalten einzelner Störungen zu untersuchen. Die Resultate dieser Arbeit zeigen, dass klimabedingte Volumenänderungen von Gletschern und Seen auf der Erdoberfläche das Spannungsfeld der Kruste beeinflussen. Generell gilt: Lastzunahme führt zu verringerten, Entlastung zu erhöhten Bewegungsraten auf der Störung.
    Description: thesis
    Keywords: 551 ; 550 ; VAE 130 ; VAE 140 ; TOH 800 ; Paläoerdbeben {Geophysik} ; Geomechanik ; Gesteinsdeformation {Strukturgeologie}
    Language: English
    Type: monograph , publishedVersion
    Format: 94 S.
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  • 96
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    Microstructural criteria for synseismic loading and postseismic creep in the uppermost plastosphere (2010)
    Univ. Bochum
    Details
    Publication Date: 2021-03-29
    Description: Anhand des Modellfalls der Sesia Zone in den West-Alpen werden mikrostrukturelle Kriterien für syn- und postseismische Deformation in der oberen Plastosphäre in Folge eines großen Erdbebens in der überlagernden Schizosphäre ausgearbeitet. Die Orientierungsverteilung von mechanisch verzwillingten Jadeiten liefert Hinweise auf Spitzten-Spannungen 〉0,5 GPa. Die Vielfalt unterschiedlicher Quarz-Mikrostrukturen spiegelt progressive Deformation bei relaxierenden Spannungen in einem Temperaturbereich von 300-350 ʿC wider. Ein dazu konsistentes Bild liefert die kataklastische Deformation von Granat. Verheilte Mikrorisse in Quarz, verfüllte Risse in Granat sowie mesoskopische, diskordante Quarz-Gänge mit rekristallisierter Füllung geben Hinweise auf einen fluktuierenden Porenfluiddruck. Dieses Beispiel aus der Sesia Zone veranschaulicht die Bedeutung nicht-stationärer Deformation in der oberen Plastosphäre, entgegen konventionellen Vorstellungen von dominierend stationärem Fließen.
    Description: thesis
    Keywords: 551.8 ; 551.1 ; 552.4 ; 551 ; 550 ; VAE 400 ; VAE 811 ; VAE 140 ; VEB 169 ; VAE 400 ; VAE 811 ; VAE 140 ; VEB 169 ; Tektogenese {Geologie} ; Alpidische Orogene {Geologie} ; Gesteinsdeformation {Strukturgeologie} ; Französisch-italienische Westalpen {Geologie}
    Language: English
    Type: monograph , publishedVersion
    Format: 97 S.
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  • 97
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    Experimental deformation of jadeite (2010)
    Univ. Bochum
    Details
    Publication Date: 2021-03-29
    Description: Zur Untersuchung der Rheologie der Mischkristallreihe Jadeit-Diopsid wurden experimentelle Untersuchungen am Endglied Jadeit durchgeführt. Polykristalline Jadeit Proben wurden aus einem Glas in einer Stempel-Zylinder-Apparatur synthetisiert. Diese Proben wurden in einer modifizierten Griggs-Apparatur bei einem Umschließungsdruck von 2.5 GPa bei verschiedenen Temperaturen und Verformungsraten in axialer Richtung deformiert. Parameter für ein Fließgesetz für Versetzungskriechen wurden abgeleitet. Deformation im Regime des Versetzungskriechens konnte aus einer Analyse der Mikrogefüge abgeleitet werden. Die erzeugten Mikrostrukturen wurden mit denen von natürlichen, deformierten Omphaziten verglichen. Anwendung des Fließgesetzes erlaubt eine Abschätzung von Spannungsmagnituden in der Eklogitschicht in Subduktionszonen. Aus Experimenten an natürlichen Proben wurde die kritische Scherspannung für mechanische Zwillingsbildung in Jadeit abgeleitet.
    Description: thesis
    Keywords: 549 ; VAE 140 ; VGF 300 ; VAE 130 ; Gesteinsdeformation {Strukturgeologie} ; Experimentelle Mineralogie ; Geomechanik
    Language: English
    Type: monograph , publishedVersion
    Format: 162 S.
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  • 98
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    Pedogenic carbonates as a proxy for palaeo-CO2 in the Palaeozoic atmosphere (2010)
    Elsevier
    Details
    Publication Date: 2021-03-29
    Description: According to a model by Cerling (1991, 1999), the carbon isotope composition of calcretes should depend on the soil type and the CO2-concentration in the atmosphere. We have tested Cerling’s model by investigating 14 Palaeozoic sections with soil profiles. A large number of carbonate types of different genetic origin exist in the localities examined. Comparing the Palaeozoic samples with recent and subrecent calcretes, it can be demonstrated that anhedral, cryptocrystalline (〈10 μm) and subhedral microcrystalline (10 - 40 μm) carbonates are clearly of pedogenic origin. Crystals of larger size with a poikilotopic texture are of groundwater or burial diagenetic origin. Macro- and micromorphological features, typical of recent calcretes, occur in several soil profiles, but thin section microscopy reveals a strong diagenetic overprint of most pedogenic carbonates. Time equivalent sections with comparable soil types (protosols, calcisols and vertisols) show large variations in carbon isotope composition. On the other hand, different carbonate generations at one site do not differ much. Therefore Palaeozoic calcretes appear to be unsuitable for a deduction of the Palaeozoic CO2-concentration.
    Description: German Research Foundation (DFG)
    Description: research
    Keywords: 551.9 ; 552.5 ; VKB 350 ; VJJ 110 ; VCA 300 ; VKB 332 ; VKA 300 ; VKB 371 ; VEA 000 ; VKB 372 ; Lithogenese {Sedimentologie} ; Geochemie der Stabilen Isotopen ; Paläozoische Geologie ; Sedimentationsbedingungen ; Petrogenese ; Klastische Sedimentgesteine ; Europa insgesamt {Geologie} ; Karbonatische Sedimentgesteine ; Kohlenstoffkreislauf ; C-isotope ; Jungpaläozoikum ; Paläopedologie ; Kalkkruste ; CO2 ; calcrete ; carbon cycle ; upper Paleozoic ; paleosol ; C-13/C-12 ; Europa ; paläoklima ; Europe ; 38.41 ; 38.61 ; 38.32
    Language: English
    Type: article
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  • 99
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    The structure and interaction history of moderate luminosity mergers (2010)
    Univ. Bochum
    Details
    Publication Date: 2021-03-29
    Description: Wechselwirkungen und insbesondere Kollisionen von Galaxien sind zwei der wichtigsten Elemente der Galaxienentwicklung. Bisher lag das Hauptaugenmerk auf der Untersuchung von Kollisionen von Spiralgalaxien (S+S). In der vorliegenden Arbeit wurden zum ersten Mal Kandidaten fuer eine Kollisionen zwischen einer Spirale und einer Elliptischen (S+E) eingehend beobachtet. Die stellare Komponente wurde mithilfe von optischen und nahinfraroten CCD Bildern sowie optischen Spektren auf ihre Verteilung und Sternenstehungsrate untersucht. Durch Interferometerbeobachtungen konnte die Verteilung und Kinematik des atomaren Gases analysiert werden, mit Fokus auf die Kollisionsgeschichte. Ausserdem wurden CO Beobachtungen durchgefuehrt, um die Masse des molekularen Gases als Rohmaterial fuer Sternentstehung zu bestimmen. Es konnte gezeigt werden, dass sich S+E Kollisionen in ihren Eigenschaften von S+S Kollisionen unterscheiden und ebenfalls einen bedeutsamen Einfluss auf die Galaxienentwicklung haben...
    Description: thesis
    Keywords: 523 ; TEG 200 ; Kosmogonie von Sternsystemen {Astronomie}
    Language: English
    Type: monograph , publishedVersion
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  • 100
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    Unknown
    Low surface brightness galaxies and their environments (2010)
    Univ. Bochum
    Details
    Publication Date: 2021-03-29
    Description: In der vorliegenden Dissertation wurde die Lage von Low Surface Brightness (LSB) Galaxien innerhalb der großskaligen Struktur untersucht. Dazu wurde der Sloan Digital Sky Survey herangezogen. Mit diesem Datensatz wurde die mittlere umgebende Galaxiendichte von LSBs innerhalb von Sphären mit einem Radius, der zwischen 0.8 und 8 Mpc variiert wurde, bestimmt. Zum Vergleich wurde die mittlere umgebende Galaxiendichte von High Surface Brightness (HSB) Galaxien ermittelt. Ferner wurde erstmalig das LSB-HSB Galaxy Bias berechnet. Aus diesen Studien resultiert, dass LSBs im Vergleich zu HSBs eher in Gebieten mit geringer umgebender Galaxiendichte zu finden sind. LSBs favorisieren die äußeren Bereiche der Wände und Filamente, die die großskalige Struktur des Universums bilden. Darüber hinaus wurden die Daten auf das Vorkommen von Aktiven Galaktischen Kernen (engl.: AGN) in LSBs analysiert ...
    Description: thesis
    Keywords: 523 ; TIE 300 ; TIE 900 ; TIF 000 ; Räumliche Verteilung der Sternsysteme {Astronomie} ; Sonstige Sternensysteme {Astronomie} ; Galaxienhaufen {Astronomie}
    Language: English
    Type: monograph , publishedVersion
    Format: 157 S.
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