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  • Blackwell Publishing Ltd  (20,618)
  • International Union of Crystallography  (8,559)
  • American Meteorological Society
  • Seismological Society of America (SSA)
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  • 1
    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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  • 2
    Publication Date: 2023-01-20
    Description: Stable hydrogen isotope ratios (δ2H values) in structural hydroxyl groups of pedogenic clay minerals are inherited from the surrounding water at the time of their formation. Only non‐exchangeable H preserves the environmental forensic and paleoclimate information (δ2Hn value). To measure δ2Hn values in structural H of clay minerals and soil clay fractions, we adapted a steam equilibration method by accounting for high hygroscopicity. Our δ2Hn values for USGS57 biotite (−95.3 ± SD 0.9‰) and USGS58 muscovite (30.7 ± 1.4‰) differed slightly but significantly from the reported δ2H values (−91.5 ± 2.4‰ and −28.4 ± 1.6‰), because the minerals contained 1.1%–4.4% of exchangeable H. The low SD of replicate measurements (n = 3) confirmed a high precision. The clay separation method including destruction of Fe oxides, carbonates and soil organic matter, and dispersion did not significantly change the δ2Hn values of five different clay minerals. However, we were unable to remove all organic matter from the soil clay fractions resulting in an estimated bias of 1‰ in two samples and 15‰ in the carbon‐richest sample. Our results demonstrate that δ2Hn values of structural H of clay minerals and soil clay fractions can be reliably measured without interference from atmospheric water and the method used to separate the soil clay fraction. Highlights We tested steam equilibration to determine stable isotope ratios of structural H in clay. Gas‐tight capsule sealing in Ar atmosphere was necessary to avoid remoistening. Our steam equilibration method showed a high accuracy and precision. The clay separation method did not change stable isotope ratios of structural H in clay.
    Description: Deutsche Forschungsgemeinschaft http://dx.doi.org/10.13039/501100001659
    Keywords: ddc:549 ; controlled isotope exchange technique ; deuterium ; montmorillonite ; soil clay separation ; soil organic matter removal ; steam equilibration ; structural H ; USGS57 biotite ; vermiculite ; δ2H
    Language: English
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  • 3
    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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  • 4
    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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  • 5
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    American Meteorological Society
    In:  EPIC3Journal of Climate, American Meteorological Society, 35(23), pp. 7811-7831, ISSN: 0894-8755
    Publication Date: 2023-06-23
    Description: Numerical simulations allow us to gain a comprehensive understanding of the underlying mechanisms of past, present, and future climate changes. The mid-Holocene (MH) and the last interglacial (LIG) were the two most recent warm episodes of Earth’s climate history and are the focus of paleoclimate research. Here, we present results of MH and LIG simulations with two versions of the state-of-the-art Earth system model AWI-ESM. Most of the climate changes in MH and LIG compared to the preindustrial era are agreed upon by the two model versions, including 1) enhanced seasonality in surface temperature that is driven by the redistribution of seasonal insolation; 2) a northward shift of the intertropical convergence zone (ITCZ) and tropical rain belt; 3) a reduction in annual mean Arctic sea ice concentration; 4) weakening and northward displacement of the Northern Hemisphere Hadley circulation, which is related to the decrease and poleward shift of the temperature gradient from the subtropical to the equator in the Northern Hemisphere; 5) a westward shift of the Indo-Pacific Walker circulation due to anomalous warming over the Eurasia and North Africa during boreal summer; and 6) an expansion and intensification of Northern Hemisphere summer monsoon rainfall, with the latter being dominated by the dynamic component of moisture budget (i.e., the strengthening of wind circulation). However, the simulated responses of the Atlantic meridional overturning circulation (AMOC) in the two models yield different results for both the LIG and the MH. AMOC anomalies between the warm interglacial and preindustrial periods are associated with changes in North Atlantic westerly winds and stratification of the water column at the North Atlantic due to changes in ocean temperature, salinity, and density.
    Repository Name: EPIC Alfred Wegener Institut
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  • 6
    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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  • 7
    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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  • 8
    Publication Date: 2023-02-25
    Description: Author Posting. © American Meteorological Society, 2022. This article is posted here by permission of American Meteorological Society for personal use, not for redistribution. The definitive version was published in Journal of Physical Oceanography 52(11), (2022): 2841–2852, https://doi.org/10.1175/jpo-d-22-0025.1.
    Description: Prediction of rapid intensification in tropical cyclones prior to landfall is a major societal issue. While air–sea interactions are clearly linked to storm intensity, the connections between the underlying thermal conditions over continental shelves and rapid intensification are limited. Here, an exceptional set of in situ and satellite data are used to identify spatial heterogeneity in sea surface temperatures across the inner core of Hurricane Sally (2020), a storm that rapidly intensified over the shelf. A leftward shift in the region of maximum cooling was observed as the hurricane transited from the open gulf to the shelf. This shift was generated, in part, by the surface heat flux in conjunction with the along- and across-shelf transport of heat from storm-generated coastal circulation. The spatial differences in the sea surface temperatures were large enough to potentially influence rapid intensification processes suggesting that coastal thermal features need to be accounted for to improve storm forecasting as well as to better understand how climate change will modify interactions between tropical cyclones and the coastal ocean.
    Description: This research was made possible by the NOAA RESTORE Science Program (NA17NOS4510101 and NA19NOS4510194) and the NASA Physical Oceanography program (80NSSC21K0553 and WBS 281945.02.25.04.67) and NOAA IOOS program via GCOOS (NA16NOS0120018). The authors declare that they have no competing interests.
    Keywords: Seas/gulfs/bays ; Atmosphere–ocean interaction ; Currents ; Tropical cyclones ; Buoy observations ; In situ oceanic observations
    Repository Name: Woods Hole Open Access Server
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  • 9
    Publication Date: 2023-02-25
    Description: Author Posting. © American Meteorological Society, 2022. This article is posted here by permission of American Meteorological Society for personal use, not for redistribution. The definitive version was published in Journal of Physical Oceanography 52(8), (2022): 1797–1815, https://doi.org/10.1175/JPO-D-21-0288.1.
    Description: Intruding slope water is a major source of nutrients to sustain the high biological productivity in the Gulf of Maine (GoM). Slope water intrusion into the GoM is affected by Gulf Stream warm-core rings (WCRs) impinging onto the nearby shelf edge. This study combines long-term mooring measurements, satellite remote sensing data, an idealized numerical ocean model, and a linear coastal-trapped wave (CTW) model to examine the impact of WCRs on slope water intrusion into the GoM through the Northeast Channel. Analysis of satellite sea surface height and temperature data shows that the slope sea region off the GoM is a hotspot of ring activities. A significant linear relationship is found between interannual variations of ring activities in the slope sea region off the GoM and bottom salinity at the Northeast Channel, suggesting the importance of WCRs in modulating variability of intruding slope water. Analysis of the mooring data reveals enhanced slope water intrusion through bottom-intensified along-channel flow following impingements of WCRs on the nearby shelf edge. Numerical simulations qualitatively reproduce the observed WCR impingement processes and associated episodic enhancement of slope water intrusion in the Northeast Channel. Diagnosis of the model result indicates that baroclinic CTWs excited by the ring–topography interaction are responsible for the episodically intensified subsurface along-channel inflow, which carries more slope water into the GoM. A WCR that impinges onto the shelf edge to the northeast of the Northeast Channel tends to generate stronger CTWs and cause stronger enhancement of the slope water intrusion into the GoM.
    Description: This study is supported by the National Science Foundation through Grant OCE-1634965.
    Keywords: Continental shelf/slope ; Channel flows ; Mesoscale processes ; In situ oceanic observations ; Satellite observations ; Numerical analysis/modeling
    Repository Name: Woods Hole Open Access Server
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  • 10
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    American Meteorological Society
    In:  EPIC3Journal of Climate, American Meteorological Society, pp. 1-40, ISSN: 0894-8755
    Publication Date: 2023-09-04
    Description: 〈jats:title〉Abstract〈/jats:title〉 〈jats:p〉Tipping points in the Earth system describe critical thresholds beyond which a single component, part of the system, or the system as a whole changes from one stable state to another. In the present-day Southern Ocean, the Weddell Sea constitutes an important dense-water formation site, associated with efficient deep-ocean carbon and oxygen transfer and low ice-shelf basal melt rates. Here, a regime shift will occur when continental shelves are continuously flushed with warm, oxygen-poor offshore waters from intermediate depth, leading to less efficient deep-ocean carbon and oxygen transfer and higher ice-shelf basal melt rates. We use a global ocean–biogeochemistry model including ice-shelf cavities and an eddy-permitting grid in the southern Weddell Sea to address the susceptibility of this region to such a system change for four 21〈jats:sup〉st〈/jats:sup〉-century emission scenarios. Assessing the projected changes in shelf–open ocean density gradients, bottom-water properties, and on-shelf heat transport, our results indicate that the Weddell Sea undergoes a regime shift by 2100 in the highest-emission scenario SSP5-8.5, but not yet in the lower-emission scenarios. The regime shift is imminent by 2100 in the scenarios SSP3-7.0 and SSP2-4.5, but avoidable under the lowest-emission scenario SSP1-2.6. While shelf-bottom waters freshen and acidify everywhere, bottom waters in the Filchner Trough undergo accelerated warming and deoxygenation following the system change, with implications for local ecosystems and ice-shelf basal melt. Additionally, deep-ocean carbon and oxygen transfer decline, implying that the local changes ultimately affect ocean circulation, climate, and ecosystems globally.〈/jats:p〉
    Repository Name: EPIC Alfred Wegener Institut
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  • 11
    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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  • 12
    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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  • 13
    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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  • 14
    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
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  • 15
    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
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  • 16
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    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    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
    Language: English
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  • 17
    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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  • 18
    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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  • 19
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    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    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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  • 20
    Publication Date: 2023-04-26
    Description: Mechanisms behind the phenomenon of Arctic amplification are widely discussed. To contribute to this debate, the (AC)3 project was established in 2016 (www.ac3-tr.de/). It comprises modeling and data analysis efforts as well as observational elements. The project has assembled a wealth of ground-based, airborne, shipborne, and satellite data of physical, chemical, and meteorological properties of the Arctic atmosphere, cryosphere, and upper ocean that are available for the Arctic climate research community. Short-term changes and indications of long-term trends in Arctic climate parameters have been detected using existing and new data. For example, a distinct atmospheric moistening, an increase of regional storm activities, an amplified winter warming in the Svalbard and North Pole regions, and a decrease of sea ice thickness in the Fram Strait and of snow depth on sea ice have been identified. A positive trend of tropospheric bromine monoxide (BrO) column densities during polar spring was verified. Local marine/biogenic sources for cloud condensation nuclei and ice nucleating particles were found. Atmospheric–ocean and radiative transfer models were advanced by applying new parameterizations of surface albedo, cloud droplet activation, convective plumes and related processes over leads, and turbulent transfer coefficients for stable surface layers. Four modes of the surface radiative energy budget were explored and reproduced by simulations. To advance the future synthesis of the results, cross-cutting activities are being developed aiming to answer key questions in four focus areas: lapse rate feedback, surface processes, Arctic mixed-phase clouds, and airmass transport and transformation.
    Repository Name: EPIC Alfred Wegener Institut
    Type: Article , isiRev
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  • 21
    Publication Date: 2023-01-26
    Description: Erosion is a severe threat to the sustainable use of agricultural soils. However, the structural resistance of soil against the disruptive forces steppe soils experience under field conditions has not been investigated. Therefore, 132 topsoils under grass‐ and cropland covering a large range of physico‐chemical soil properties (sand: 2–76%, silt: 18–80%, clay: 6–30%, organic carbon: 7.3–64.2 g kg−1, inorganic carbon: 0.0–8.5 g kg−1, pH: 4.8–9.5, electrical conductivity: 32–946 μS cm−1) from northern Kazakhstan were assessed for their potential erodibility using several tests. An adjusted drop‐shatter method (low energy input of 60 Joule on a 250‐cm3 soil block) was used to estimate the stability of dry soil against weak mechanical forces, such as saltating particles striking the surface causing wind erosion. Three wetting treatments with various conditions and energies (fast wetting, slow wetting, and wet shaking) were applied to simulate different disruptive effects of water. Results indicate that aggregate stability was higher for grassland than cropland soils and declined with decreasing soil organic carbon content. The results of the drop‐shatter test suggested that 29% of the soils under cropland were at risk of wind erosion, but only 6% were at high risk (i.e. erodible fraction 〉60%). In contrast, the fast wetting treatment revealed that 54% of the samples were prone to become “very unstable” and 44% “unstable” during heavy rain or snowmelt events. Even under conditions comparable to light rain events or raindrop impact, 53–59% of the samples were “unstable.” Overall, cropland soils under semi‐arid conditions seem much more susceptible to water than wind erosion. Considering future projections of increasing precipitation in Kazakhstan, we conclude that the risk of water erosion is potentially underestimated and needs to be taken into account when developing sustainable land use strategies. Highlights Organic matter is the important binding agent enhancing aggregation in steppe topsoils. Tillage always declines aggregate stability even without soil organic carbon changes. All croplands soil are prone to wind or water erosion independent of their soil properties. Despite the semi‐arid conditions, erosion risk by water seems higher than by wind.
    Description: Bundesministerium für Bildung und Forschung http://dx.doi.org/10.13039/501100002347
    Keywords: ddc:631.4 ; climate change ; land use ; soil organic carbon ; soil texture ; water erosion ; wind erosion
    Language: English
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  • 22
    Publication Date: 2023-01-27
    Description: Author Posting. © American Meteorological Society, 2022. This article is posted here by permission of American Meteorological Society for personal use, not for redistribution. The definitive version was published in Journal of Physical Oceanography 52(8), (2022): 1705-1730, https://doi.org/10.1175/jpo-d-21-0243.1.
    Description: Formation and evolution of barrier layers (BLs) and associated temperature inversions (TIs) were investigated using a 1-yr time series of oceanic and air–sea surface observations from three moorings deployed in the eastern Pacific fresh pool. BL thickness and TI amplitude showed a seasonality with maxima in boreal summer and autumn when BLs were persistently present. Mixed layer salinity (MLS) and mixed layer temperature (MLT) budgets were constructed to investigate the formation mechanism of BLs and TIs. The MLS budget showed that BLs were initially formed in response to horizontal advection of freshwater in boreal summer and then primarily maintained by precipitation. The MLT budget revealed that penetration of shortwave radiation through the mixed layer base is the dominant contributor to TI formation through subsurface warming. Geostrophic advection is a secondary contributor to TI formation through surface cooling. When the BL exists, the cooling effect from entrainment and the warming effect from detrainment are both significantly reduced. In addition, when the BL is associated with the presence of a TI, entrainment works to warm the mixed layer. The presence of BLs makes the shallower mixed layer more sensitive to surface heat and freshwater fluxes, acting to enhance the formation of TIs that increase the subsurface warming via shortwave penetration.
    Description: SK is supported by JSPS Overseas Research Fellowships. JS and SK are supported by NASA Grant 80NSSC18K1500. JTF and the mooring deployment were funded by NASA Grants NNX15AG20G and 80NSSC18K1494. DZ is supported by NASA Grant 80NSSC18K1499. This publication is partially funded by the Cooperative Institute for Climate, Ocean, and Ecosystem Studies (CICOES) under NOAA Cooperative Agreement NA20OAR4320271, Contribution 2021-1152. This is PMEL Contribution 5268.
    Description: 2023-01-27
    Keywords: Ocean ; North Pacific Ocean ; Tropics ; Entrainment ; Oceanic mixed layer ; Salinity
    Repository Name: Woods Hole Open Access Server
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  • 23
    Publication Date: 2023-02-01
    Description: Author Posting. © American Meteorological Society, 2022. This article is posted here by permission of American Meteorological Society for personal use, not for redistribution. The definitive version was published in Journal of Physical Oceanography 52(8), (2022): 1927-1943, https://doi.org/10.1175/jpo-d-21-0124.1.
    Description: The Galápagos Archipelago lies on the equator in the path of the eastward flowing Pacific Equatorial Undercurrent (EUC). When the EUC reaches the archipelago, it upwells and bifurcates into a north and south branch around the archipelago at a latitude determined by topography. Since the Coriolis parameter (f) equals zero at the equator, strong velocity gradients associated with the EUC can result in Ertel potential vorticity (Q) having sign opposite that of planetary vorticity near the equator. Observations collected by underwater gliders deployed just west of the Galápagos Archipelago during 2013–16 are used to estimate Q and to diagnose associated instabilities that may impact the Galápagos Cold Pool. Estimates of Q are qualitatively conserved along streamlines, consistent with the 2.5-layer, inertial model of the EUC by Pedlosky. The Q with sign opposite of f is advected south of the Galápagos Archipelago when the EUC core is located south of the bifurcation latitude. The horizontal gradient of Q suggests that the region between 2°S and 2°N above 100 m is barotropically unstable, while limited regions are baroclinically unstable. Conditions conducive to symmetric instability are observed between the EUC core and the equator and within the southern branch of the undercurrent. Using 2-month and 3-yr averages, e-folding time scales are 2–11 days, suggesting that symmetric instability can persist on those time scales.
    Description: This work was supported by the National Science Foundation (Grants OCE-1232971 and OCE-1233282), the NASA Earth and Space Science Fellowship Program (Grant 80NSSC17K0443), and the Global Ocean Monitoring and Observing Program of the National Oceanographic and Atmospheric Administration (NA13OAR4830216). Color maps are from Thyng et al. (2016).
    Description: 2023-02-01
    Keywords: Currents ; In situ oceanic observations ; Instability ; Mixing ; Ocean dynamics ; Pacific Ocean ; Potential vorticity ; Tropics
    Repository Name: Woods Hole Open Access Server
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  • 24
    Publication Date: 2023-02-01
    Description: Author Posting. © American Meteorological Society, 2022. This article is posted here by permission of American Meteorological Society for personal use, not for redistribution. The definitive version was published in Journal of the Atmospheric and Oceanic Technology 39(8), (2022): 1183-1198, https://doi.org/10.1175/jtech-d-21-0068.1.
    Description: Horizontal kinematic properties, such as vorticity, divergence, and lateral strain rate, are estimated from drifter clusters using three approaches. At submesoscale horizontal length scales O(1–10)km, kinematic properties become as large as planetary vorticity f, but challenging to observe because they evolve on short time scales O(hourstodays). By simulating surface drifters in a model flow field, we quantify the sources of uncertainty in the kinematic property calculations due to the deformation of cluster shape. Uncertainties arise primarily due to (i) violation of the linear estimation methods and (ii) aliasing of unresolved scales. Systematic uncertainties (iii) due to GPS errors, are secondary but can become as large as (i) and (ii) when aspect ratios are small. Ideal cluster parameters (number of drifters, length scale, and aspect ratio) are determined and error functions estimated empirically and theoretically. The most robust method—a two-dimensional, linear least squares fit—is applied to the first few days of a drifter dataset from the Bay of Bengal. Application of the length scale and aspect-ratio criteria minimizes errors (i) and (ii), and reduces the total number of clusters and so computational cost. The drifter-estimated kinematic properties map out a cyclonic mesoscale eddy with a surface, submesoscale fronts at its perimeter. Our analyses suggest methodological guidance for computing the two-dimensional kinematic properties in submesoscale flows, given the recently increasing quantity and quality of drifter observations, while also highlighting challenges and limitations.
    Description: This research was supported by the Office of Naval Research (ONR) Departmental Research Initiative ASIRI under Grant N00014-13-1-0451 (SE and AM) and Grant N00014-13-1-0477 (VH and LC). The authors thank the captain and crew of the R/V Roger Revelle, and Andrew Lucas with the Multiscale Ocean Dynamics group at the Scripps Institution for Oceanography for providing the FastCTD data collected in 2015, which was supported by ONR Grant N00014-13-1-0489, as well as Eric D’Asaro for helpful discussions and Lance Braasch for assistance with the drifter dataset. AM and SE further thank NSF (Grant OCE-I434788) and ONR (Grant N00014-16-1-2470) for support. VH and LC were additionally supported by ONR Grants N00014-15-1-2286, N00014-14-1-0183, N00014-19-1-26-91 and NOAA Global Drifter Program (GDP) Grant NA15OAR4320071.
    Description: 2023-02-01
    Keywords: Indian Ocean ; Eddies ; Frontogenesis/frontolysis ; Fronts ; Lagrangian circulation/transport ; Ocean circulation ; Ocean dynamics
    Repository Name: Woods Hole Open Access Server
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  • 25
    Publication Date: 2023-02-01
    Description: Author Posting. © American Meteorological Society, 2022. This article is posted here by permission of American Meteorological Society for personal use, not for redistribution. The definitive version was published in Journal of Climate 35(17), (2022): 5465-5482, https://doi.org/10.1175/jcli-d-21-0671.1.
    Description: Understanding the contribution of ocean circulation to glacial–interglacial climate change is a major focus of paleoceanography. Specifically, many have tried to determine whether the volumes and depths of Antarctic- and North Atlantic–sourced waters in the deep ocean changed at the Last Glacial Maximum (LGM; ∼22–18 kyr BP) when atmospheric pCO2 concentrations were 100 ppm lower than the preindustrial. Measurements of sedimentary geochemical proxies are the primary way that these deep ocean structural changes have been reconstructed. However, the main proxies used to reconstruct LGM Atlantic water mass geometry provide conflicting results as to whether North Atlantic–sourced waters shoaled during the LGM. Despite this, a number of idealized modeling studies have been advanced to describe the physical processes resulting in shoaled North Atlantic waters. This paper aims to critically assess the approaches used to determine LGM Atlantic circulation geometry and lay out best practices for future work. We first compile existing proxy data and paleoclimate model output to deduce the processes responsible for setting the ocean distributions of geochemical proxies in the LGM Atlantic Ocean. We highlight how small-scale mixing processes in the ocean interior can decouple tracer distributions from the large-scale circulation, complicating the straightforward interpretation of geochemical tracers as proxies for water mass structure. Finally, we outline promising paths toward ascertaining the LGM circulation structure more clearly and deeply.
    Description: S.K.H. was supported by the Investment in Science Fund at WHOI and the John E. and Anne W. Sawyer Endowed Fund in Support of Scientific Staff. F.J.P. was supported by a Stanback Postdoctoral Fellowship at Caltech.
    Description: 2023-02-01
    Keywords: Diapycnal mixing ; Meridional overturning circulation ; Ocean circulation
    Repository Name: Woods Hole Open Access Server
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  • 26
    Publication Date: 2023-02-17
    Description: Author Posting. © American Meteorological Society, 2022. This article is posted here by permission of American Meteorological Society for personal use, not for redistribution. The definitive version was published in Journal of the Atmospheric and Oceanic Technology 39(10), (2022): 1525–1539, https://doi.org/10.1175/jtech-d-21-0186.1.
    Description: The static and dynamic performances of the RBRargo3 are investigated using a combination of laboratory-based and in situ datasets from floats deployed as part of an Argo pilot program. Temperature and pressure measurements compare well to co-located reference data acquired from shipboard CTDs. Static accuracy of salinity measurements is significantly improved using 1) a time lag for temperature, 2) a quadratic pressure dependence, and 3) a unit-based calibration for each RBRargo3 over its full pressure range. Long-term deployments show no significant drift in the RBRargo3 accuracy. The dynamic response of the RBRargo3 demonstrates the presence of two different adjustment time scales: a long-term adjustment O(120) s, driven by the temperature difference between the interior of the conductivity cell and the water, and a short-term adjustment O(5–10) s, associated to the initial exchange of heat between the water and the inner ceramic. Corrections for these effects, including dependence on profiling speed, are developed.
    Keywords: Data processing/distribution ; In situ oceanic observations ; Profilers ; Oceanic
    Repository Name: Woods Hole Open Access Server
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  • 27
    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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  • 28
    Publication Date: 2023-01-21
    Description: Charcoal‐rich Technosols on century‐old relict charcoal hearths (RCHs) are the subject of ongoing research regarding potential legacy effects that result from historic charcoal production and subsequent charcoal amendments on forest soil properties and forest ecosystems today. RCHs consist mostly of Auh horizons that are substantially enriched in soil organic carbon (SOC), of which the largest part seems to be of pyrogenic origin (PyC). However, the reported range of SOC and PyC contents in RCH soil also suggests that they are enriched in nonpyrogenic SOC. RCH soils are discussed as potential benchmarks for the long‐term influence of biochar amendment and the post‐wildfire influences on soil properties. In this study, we utilised a large soil sample dataset (n = 1245) from 52 RCH sites in north‐western Connecticut, USA, to quantify SOC contents by total element analysis. The contents of condensed highly aromatic carbon as a proxy for black carbon (BC) were predicted by using a modified benzene polycarboxylated acid (BPCA) marker method in combination with diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy‐based partial least square regression (r2 = 0.89). A high vertical spatial sampling resolution allowed the identification of soil organic matter (SOM) enrichment and translocation processes. The results show an average 75% and 1862% increase in TOC and BPCA‐derived carbon, respectively, for technogenic Auh horizons compared to reference soils. In addition to an increase in aromatic properties, increased carboxylic properties of the RCH SOC suggest self‐humification effects of degrading charcoal and thereby the continuing formation of leachable aromatic carbon compounds, which could have effects on pedogenic processes in buried soils. Indeed, we show BPCA‐derived carbon concentrations in intermediate technogenic Cu horizons and buried top/subsoils that suggest vertical translocation of highly aromatic carbon originating in RCH Auh horizons. Topmost Auh horizons showed a gradual decrease in total organic carbon (TOC) contents with increasing depth, suggesting accumulation of recent, non‐pyrogenic SOM. Lower aliphatic absorptions in RCH soil spectra suggest different SOM turnover dynamics compared to reference soils. Furthermore, studied RCH soils featured additional TOC enrichment, which cannot be fully explained now. Highlights BC to TOC ratio and high resolution vertical SOC distribution in 52 RCH sites were studied. RCH soils non‐BC pool was potentially different to reference soils. RCH soils feature TOC accumulation in the topmost horizon. There is BC translocation into buried soils on RCH sites.
    Description: Deutsche Forschungsgemeinschaft http://dx.doi.org/10.13039/501100001659
    Keywords: ddc:631.4 ; benzene polycarboxylated acid marker (BPCA) ; black carbon ; charcoal degradation ; charcoal kiln ; pyrogenic carbon ; relict charcoal hearth ; biochar
    Language: English
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  • 29
    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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  • 30
    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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  • 31
    Publication Date: 2023-02-28
    Description: Author Posting. © American Meteorological Society, 2022. This article is posted here by permission of American Meteorological Society for personal use, not for redistribution. The definitive version was published in Journal of Physical Oceanography 52(12),(2022): 3199-3219, https://doi.org/10.1175/jpo-d-22-0009.1.
    Description: The abyssal overturning circulation is thought to be primarily driven by small-scale turbulent mixing. Diagnosed water-mass transformations are dominated by rough topography “hotspots,” where the bottom enhancement of mixing causes the diffusive buoyancy flux to diverge, driving widespread downwelling in the interior—only to be overwhelmed by an even stronger upwelling in a thin bottom boundary layer (BBL). These water-mass transformations are significantly underestimated by one-dimensional (1D) sloping boundary layer solutions, suggesting the importance of three-dimensional physics. Here, we use a hierarchy of models to generalize this 1D boundary layer approach to three-dimensional eddying flows over realistically rough topography. When applied to the Mid-Atlantic Ridge in the Brazil Basin, the idealized simulation results are roughly consistent with available observations. Integral buoyancy budgets isolate the physical processes that contribute to realistically strong BBL upwelling. The downward diffusion of buoyancy is primarily balanced by upwelling along the sloping canyon sidewalls and the surrounding abyssal hills. These flows are strengthened by the restratifying effects of submesoscale baroclinic eddies and by the blocking of along-ridge thermal wind within the canyon. Major topographic sills block along-thalweg flows from restratifying the canyon trough, resulting in the continual erosion of the trough’s stratification. We propose simple modifications to the 1D boundary layer model that approximate each of these three-dimensional effects. These results provide local dynamical insights into mixing-driven abyssal overturning, but a complete theory will also require the nonlocal coupling to the basin-scale circulation.
    Description: We acknowledge funding support from National Science Foundation Awards 1536515, 1736109, and 2149080. This material is based upon work supported by the National Science Foundation Graduate Research Fellowship Program under Grant 174530.
    Description: 2023-05-18
    Keywords: Abyssal circulation ; Diapycnal mixing ; Meridional overturning circulation ; Topographic effects ; Upwelling/downwelling ; Bottom currents/bottom water
    Repository Name: Woods Hole Open Access Server
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  • 32
    Publication Date: 2023-02-28
    Description: Author Posting. © American Meteorological Society, 2022. This article is posted here by permission of American Meteorological Society for personal use, not for redistribution. The definitive version was published in Journal of Physical Oceanography 52(6), (2022): 1091–1110, https://doi.org/10.1175/JPO-D-21-0068.1.
    Description: Hundreds of full-depth temperature and salinity profiles collected by Deepglider autonomous underwater vehicles (AUVs) in the North Atlantic reveal robust signals in eddy isopycnal vertical displacement and horizontal current throughout the entire water column. In separate glider missions southeast of Bermuda, subsurface-intensified cold, fresh coherent vortices were observed with velocities exceeding 20 cm s−1 at depths greater than 1000 m. With vertical resolution on the order of 20 m or less, these full-depth glider slant profiles newly permit estimation of scaled vertical wavenumber spectra from the barotropic through the 40th baroclinic mode. Geostrophic turbulence theory predictions of spectral slopes associated with the forward enstrophy cascade and proportional to inverse wavenumber cubed generally agree with glider-derived quasi-universal spectra of potential and kinetic energy found at a variety of locations distinguished by a wide range of mean surface eddy kinetic energy. Water-column average spectral estimates merge at high vertical mode number to established descriptions of internal wave spectra. Among glider mission sites, geographic and seasonal variability implicate bottom drag as a mechanism for dissipation, but also the need for more persistent sampling of the deep ocean.
    Description: This work was funded by NSF Grant 1736217 and would not have been possible without the help of Kirk O’Donnell, James Bennett, Noel Pelland, and all contributors to Deepglider development. We additionally thank the captain crew of the R/V Atlantic Explorer and the BATS team at the Bermuda Institute of Ocean Sciences, particularly Rod Johnson, as well as Seakeepers International for their professionalism, capability, and generous assistance in deploying and recovering gliders.
    Keywords: North Atlantic Ocean ; Eddies ; Mesoscale processes ; Turbulence ; Energy transport ; In situ oceanic observations ; Oceanic variability
    Repository Name: Woods Hole Open Access Server
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  • 33
    Publication Date: 2023-03-02
    Description: Author Posting. © American Meteorological Society, 2022. This article is posted here by permission of American Meteorological Society for personal use, not for redistribution. The definitive version was published in Journal of Physical Oceanography 52(12), (2022): 3221–3240, https://doi.org/10.1175/jpo-d-22-0010.1.
    Description: Small-scale mixing drives the diabatic upwelling that closes the abyssal ocean overturning circulation. Indirect microstructure measurements of in situ turbulence suggest that mixing is bottom enhanced over rough topography, implying downwelling in the interior and stronger upwelling in a sloping bottom boundary layer. Tracer release experiments (TREs), in which inert tracers are purposefully released and their dispersion is surveyed over time, have been used to independently infer turbulent diffusivities—but typically provide estimates in excess of microstructure ones. In an attempt to reconcile these differences, Ruan and Ferrari derived exact tracer-weighted buoyancy moment diagnostics, which we here apply to quasi-realistic simulations. A tracer’s diapycnal displacement rate is exactly twice the tracer-averaged buoyancy velocity, itself a convolution of an asymmetric upwelling/downwelling dipole. The tracer’s diapycnal spreading rate, however, involves both the expected positive contribution from the tracer-averaged in situ diffusion as well as an additional nonlinear diapycnal distortion term, which is caused by correlations between buoyancy and the buoyancy velocity, and can be of either sign. Distortion is generally positive (stretching) due to bottom-enhanced mixing in the stratified interior but negative (contraction) near the bottom. Our simulations suggest that these two effects coincidentally cancel for the Brazil Basin Tracer Release Experiment, resulting in negligible net distortion. By contrast, near-bottom tracers experience leading-order distortion that varies in time. Errors in tracer moments due to realistically sparse sampling are generally small (〈20%), especially compared to the O(1) structural errors due to the omission of distortion effects in inverse models. These results suggest that TREs, although indispensable, should not be treated as “unambiguous” constraints on diapycnal mixing.
    Description: We acknowledge funding support from National Science Foundation Awards 1536515 and 1736109. This material is based upon work supported by the National Science Foundation Graduate Research Fellowship Program under Grant 174530. This research is also supported by the NOAA Climate and Global Change Postdoctoral Fellowship Program, administered by UCAR’s Cooperative Programs for the Advancement of Earth System Science (CPAESS) under Award NA18NWS4620043B.
    Description: 2023-05-18
    Keywords: Diapycnal mixing ; Diffusion ; Upwelling/downwelling ; Bottom currents/bottom water ; Tracers
    Repository Name: Woods Hole Open Access Server
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  • 34
    Publication Date: 2024-02-28
    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"〉Hydrogeological information about an aquifer is difficult and costly to obtain, yet essential for the efficient management of groundwater resources. Transferring information from sampled sites to a specific site of interest can provide information when site‐specific data is lacking. Central to this approach is the notion of site similarity, which is necessary for determining relevant sites to include in the data transfer process. In this paper, we present a data‐driven method for defining site similarity. We apply this method to selecting groups of similar sites from which to derive prior distributions for the Bayesian estimation of hydraulic conductivity measurements at sites of interest. We conclude that there is now a unique opportunity to combine hydrogeological expertise with data‐driven methods to improve the predictive ability of stochastic hydrogeological models.〈/p〉
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉〈italic〉Article impact statement〈/italic〉: This article introduces hierarchical clustering as a method for defining a notion of site similarity; the aim of this method is to improve the derivation of prior distributions in Bayesian methods in hydrogeology.〈/p〉
    Description: Deutsche Forschungsgemeinschaft http://dx.doi.org/10.13039/501100001659
    Description: https://github.com/GeoStat-Bayesian/geostatDB
    Description: https://github.com/GeoStat-Bayesian/exPrior
    Description: https://github.com/GeoStat-Bayesian/siteSimilarity
    Keywords: ddc:551.49 ; hydrogeological sites ; hydrogeological modeling
    Language: English
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  • 35
    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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  • 36
    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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  • 37
    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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  • 38
    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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  • 39
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    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    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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  • 40
    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"〉Flood risk assessments require different disciplines to understand and model the underlying components hazard, exposure, and vulnerability. Many methods and data sets have been refined considerably to cover more details of spatial, temporal, or process information. We compile case studies indicating that refined methods and data have a considerable effect on the overall assessment of flood risk. But are these improvements worth the effort? The adequate level of detail is typically unknown and prioritization of improvements in a specific component is hampered by the lack of an overarching view on flood risk. Consequently, creating the dilemma of potentially being too greedy or too wasteful with the resources available for a risk assessment. A “sweet spot” between those two would use methods and data sets that cover all relevant known processes without using resources inefficiently. We provide three key questions as a qualitative guidance toward this “sweet spot.” For quantitative decision support, more overarching case studies in various contexts are needed to reveal the sensitivity of the overall flood risk to individual components. This could also support the anticipation of unforeseen events like the flood event in Germany and Belgium in 2021 and increase the reliability of flood risk assessments.〈/p〉
    Description: Deutsche Forschungsgemeinschaft http://dx.doi.org/10.13039/501100001659
    Description: BMBF http://dx.doi.org/10.13039/501100002347
    Description: Federal Environment Agency http://dx.doi.org/10.13039/501100010809
    Description: http://howas21.gfz-potsdam.de/howas21/
    Description: https://www.umwelt.niedersachsen.de/startseite/themen/wasser/hochwasser_amp_kustenschutz/hochwasserrisikomanagement_richtlinie/hochwassergefahren_und_hochwasserrisikokarten/hochwasserkarten-121920.html
    Description: https://download.geofabrik.de/europe/germany.html
    Description: https://emergency.copernicus.eu/mapping/list-of-components/EMSN024
    Description: https://data.jrc.ec.europa.eu/collection/id-0054
    Description: https://oasishub.co/dataset/surface-water-flooding-footprinthurricane-harvey-august-2017-jba
    Description: https://www.wasser.sachsen.de/hochwassergefahrenkarte-11915.html
    Keywords: ddc:551.48 ; decision support ; extreme events ; integrated flood risk management ; risk assessment
    Language: English
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  • 41
    Publication Date: 2024-02-09
    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"〉Gas transport in soils is usually assumed to be purely diffusive, although several studies have shown that non‐diffusive processes can significantly enhance soil gas transport. These processes include barometric air pressure changes, wind‐induced pressure pumping and static air pressure fields generated by wind interacting with obstacles. The associated pressure gradients in the soil can cause advective gas fluxes that are much larger than diffusive fluxes. However, the contributions of the respective transport processes are difficult to separate. We developed a large chamber system to simulate pressure fields and investigate their influence on soil gas transport. The chamber consists of four subspaces in which pressure is regulated by fans that blow air in or out of the chamber. With this setup, we conducted experiments with oscillating and static pressure fields. CO〈sub〉2〈/sub〉 concentrations were measured along two soil profiles beneath the chamber. We found a significant relationship between static lateral pressure gradients and the change in the CO〈sub〉2〈/sub〉 profiles (R〈sup〉2〈/sup〉 = 0.53; 〈italic toggle="no"〉p〈/italic〉‐value 〈2e‐16). Even small pressure gradients between −1 and 1 Pa relative to ambient pressure resulted in an increase or decrease in CO〈sub〉2〈/sub〉 concentrations of 8% on average in the upper soil, indicating advective flow of air in the pore space. Positive pressure gradients resulted in decreasing, negative pressure gradients in increasing CO〈sub〉2〈/sub〉 concentrations. The concentration changes were probably caused by an advective flow field in the soil beneath the chamber generated by the pressure gradients. No effect of oscillating pressure fields was observed in this study. The results indicate that static lateral pressure gradients have a substantial impact on soil gas transport and therefore are an important driver of gas exchange between soil and atmosphere. Lateral pressure gradients in a comparable range can be induced under windy conditions when wind interacts with terrain features. They can also be caused by chambers used for flux measurements at high wind speed or by fans used for head‐space mixing within the chambers, which yields biased flux estimates.〈/p〉
    Description: Deutsche Forschungsgemeinschaft http://dx.doi.org/10.13039/501100001659
    Keywords: ddc:631.4 ; advective flux ; chamber flux measurements ; static air pressure fields ; wind‐induced pressure pumping
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  • 42
    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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  • 43
    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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  • 44
    Publication Date: 2023-11-18
    Description: Spatiotemporal characterisation of the soil redox status within the capillary fringe (CF) is a challenging task. Air‐filled porosities (ε), oxygen concentration (O〈sub〉2〈/sub〉) and soil redox potential (EH) are interrelated soil variables within active biogeochemical domains such as the CF. We investigated the impact of water table (WT) rise and drainage in an undisturbed topsoil and subsoil sample taken from a Calcaric Gleysol for a period of 46 days. We merged 1D (EH and matric potential) and 2D (O〈sub〉2〈/sub〉) systems to monitor at high spatiotemporal resolution redox dynamics within self‐constructed redoxtron housings and complemented the data set by a 3D pore network characterization using X‐ray microtomography (X‐ray μCT). Depletion of O〈sub〉2〈/sub〉 was faster in the organic matter‐ and clay‐rich aggregated topsoil and the CF extended 〉10 cm above the artificial WT. The homogeneous and less‐aggregated subsoil extended only 4 cm above the WT as indicated by ε–O〈sub〉2〈/sub〉–EH data during saturation. After drainage, 2D O〈sub〉2〈/sub〉 imaging revealed a fast aeration towards the lower depths of the topsoil, which agrees with the connected ε derived by X‐ray μCT (ε〈sub〉CT_conn〈/sub〉) of 14.9% of the total porosity. However, small‐scaled anoxic domains with O〈sub〉2〈/sub〉 saturation 〈5% were apparent even after lowering the WT (down to 0.25 cm〈sup〉2〈/sup〉 in size) for 23 days. These domains remained a nucleus for reducing soil conditions (E〈sub〉H〈/sub〉 〈 −100 mV), which made it challenging to characterise the soil redox status in the CF. In contrast, the subsoil aeration reached O〈sub〉2〈/sub〉 saturation after 8 days for the complete soil volume. Values of ε〈sub〉CT_conn〈/sub〉 around zero in the subsoil highlighted that soil aeration was independent of this parameter suggesting that other variables such as microbial activity must be considered when predicting the soil redox status from ε alone. The use of redoxtrons in combination with localised redox‐measurements and image based pore space analysis resulted in a better 2D/3D characterisation of the pore system and related O〈sub〉2〈/sub〉 transport properties. This allowed us to analyse the distribution and activity of microbiological niches highly associated with the spatiotemporal variable redox dynamics in soil environments. Highlights: The time needed to turn from reducing to oxidising (period where all platinum electrodes feature E〈sub〉H〈/sub〉 〉 300 mV) condition differ for two samples with contrasting soil structure. The subsoil with presumably low O〈sub〉2〈/sub〉 consumption rates aerated considerably faster than the topsoil and exclusively by O〈sub〉2〈/sub〉 diffusion through medium‐ and fine‐sized pores. To derive the soil redox status based upon the triplet ε–O〈sub〉2〈/sub〉–E〈sub〉H〈/sub〉 is challenging at present in heterogeneous soil domains and larger soil volumes than 250 cm〈sup〉3〈/sup〉. Undisturbed soil sampling along with 2D/3D redox measurement systems (e.g., redoxtrons) improve our understanding of redox dynamics within the capillary fringe.
    Keywords: ddc:631.4 ; environmental monitoring ; incubation experiments ; redox processes ; soil reducing conditions ; undisturbed soil ; X‐ray microtomography
    Language: English
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  • 45
    Publication Date: 2023-11-17
    Description: 〈title xmlns:mml="http://www.w3.org/1998/Math/MathML"〉Abstract〈/title〉〈sec xmlns:mml="http://www.w3.org/1998/Math/MathML" id="ejss13362-sec-1003" xml:lang="en"〉 〈p xml:lang="en"〉Long‐term experiments (LTEs) have provided data to modellers and agronomists to investigate changes and dynamics of soil organic carbon (SOC) under different cropping systems. As treatment changes have occurred due to agricultural advancements, so too have analytical soil methods. This may lead to method bias over time, which could affect the robust interpretation of data and conclusions drawn. This study aims to quantify differences in SOC due to changes in dry combustion methods over time, using soil samples of a LTE established in 1963 that focuses on mineral and organic fertilizer management in the temperate zone of Northeast Germany. For this purpose, 1059 soil samples, collected between 1976 and 2008, have been analysed twice, once with their historical laboratory method right after sampling, and a second time in 2016 when all samples were analysed using the same elementary analyser. In 9 of 11 soil sampling campaigns, a paired 〈italic toggle="no"〉t〈/italic〉‐test provided evidence for significant differences in the historical SOC values when compared with the re‐analysed concentrations of the same LTE sample. In the sampling years 1988 and 2004, the historical analysis obtained about 0.9 g kg〈sup〉−1〈/sup〉 lower SOC compared with the re‐analysed one. For 1990 and 1998, this difference was about 0.4 g kg〈sup〉−1〈/sup〉. Correction factors, an approach often used to correct for different analytical techniques, could only be applied for 5 of 11 sampling campaigns to account for constant and proportional systematic method error. For this particular LTE, the interpretation of SOC changes due to agronomic management (here fertilization) deviates depending on the analytical method used, which may weaken the explanatory power of the historical data. We demonstrate that analytical method changes over time present one of many challenges in the interpretation of time series data of SOC dynamics. Therefore, LTE site managers need to ensure providing all necessary protocols and data in order to retrace method changes and if necessary recalculate SOC.〈/p〉 〈/sec〉〈sec xmlns:mml="http://www.w3.org/1998/Math/MathML" id="ejss13362-sec-0003" xml:lang="en"〉 〈title〉Highlights〈/title〉 〈p xml:lang="en"〉〈list list-type="bullet" id="ejss13362-list-0001"〉 〈list-item id="ejss13362-li-0001"〉〈p〉A total of 1059 LTE soil samples taken between 1976 and 2008 were re‐analysed for SOC in 2016〈/p〉〈/list-item〉 〈list-item id="ejss13362-li-0002"〉〈p〉Several methodological changes for SOC determination led to significant different SOC concentration in the same sample〈/p〉〈/list-item〉 〈list-item id="ejss13362-li-0003"〉〈p〉Interpretation and time series of LTE soil data suffer from consideration of analytical method changes and poor documentation of the same〈/p〉〈/list-item〉 〈list-item id="ejss13362-li-0004"〉〈p〉Soil archive establishment, thorough method protocols and diligent proficiency testing after soil method changes ameliorate the dilemma〈/p〉〈/list-item〉 〈/list〉〈/p〉 〈/sec〉
    Description: Brandenburger Staatsministerium für Wissenschaft, Forschung und Kultur http://dx.doi.org/10.13039/501100004581
    Description: Bundesministerium für Bildung und Forschung http://dx.doi.org/10.13039/501100004937
    Description: https://doi.org/10.4228/zalf-acge-b683
    Keywords: ddc:631.4 ; Bland–Altman ; carbon stocks ; data trueness ; Deming regression ; method bias ; soil archive ; soil survey
    Language: English
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  • 46
    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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  • 47
    Publication Date: 2023-12-12
    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"〉Infrared spectroscopy in the visible to near‐infrared (vis–NIR) and mid‐infrared (MIR) regions is a well‐established approach for the prediction of soil properties. Different data fusion and training approaches exist, and the optimal procedures are yet undefined and may depend on the heterogeneity present in the set and on the considered scale. The objectives were to test the usefulness of partial least squares regressions (PLSRs) for soil organic carbon (SOC), total carbon (C〈sub〉t〈/sub〉), total nitrogen (N〈sub〉t〈/sub〉) and pH using vis–NIR and MIR spectroscopy for an independent validation after standard calibration (use of a general PLSR model) or using memory‐based learning (MBL) with and without spiking for a national spectral database. Data fusion approaches were simple concatenation of spectra, outer product analysis (OPA) and model averaging. In total, 481 soils from an Austrian forest soil archive were measured in the vis–NIR and MIR regions, and regressions were calculated. Fivefold calibration‐validation approaches were carried out with a region‐related split of spectra to implement independent validations with n ranging from 47 to 99 soils in different folds. MIR predictions were generally superior over vis–NIR predictions. For all properties, optimal predictions were obtained with data fusion, with OPA and spectra concatenation outperforming model averaging. The greatest robustness of performance was found for OPA and MBL with spiking with 〈italic toggle="no"〉R〈/italic〉〈sup〉2〈/sup〉 ≥ 0.77 (N), 0.85 (SOC), 0.86 (pH) and 0.88 (C〈sub〉t〈/sub〉) in the validations of all folds. Overall, the results indicate that the combination of OPA for vis–NIR and MIR spectra with MBL and spiking has a high potential to accurately estimate properties when using large‐scale soil spectral libraries as reference data. However, the reduction of cost‐effectiveness using two spectrometers needs to be weighed against the potential increase in accuracy compared to a single MIR spectroscopy approach.〈/p〉
    Description: Deutsche Forschungsgemeinschaft http://dx.doi.org/10.13039/501100001659
    Keywords: ddc:631.4 ; data fusion ; independent validation ; infrared spectroscopy ; MBL ; nitrogen ; outer product analysis ; pH ; soil organic carbon ; spiking ; total carbon
    Language: English
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  • 48
    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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  • 49
    Publication Date: 2024-01-19
    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"〉In recent years, many two‐dimensional (2D) hydrodynamic models have been extended to include the direct rainfall method (DRM). This allows their application as a hydrological‐hydrodynamic model for the determination of floodplains in one model system. In previous studies on DRM, the role of catchment hydrological processes (CaHyPro) and its interaction with the calibration process was not investigated in detail. In the present, case‐oriented study, the influence of the spatiotemporal distribution of the processes precipitation and runoff formation in combination with the 2D model HEC‐RAS is investigated. In a further step, a conceptual approach for event‐based interflow is integrated. The study is performed on the basis of a single storm event in a small rural catchment (low mountain range, 38 km〈sup〉2〈/sup〉) in Hesse (Germany). The model results are evaluated against six quality criteria and compared to a simplified baseline model. Finally, the calibrated improved model is contrasted with a calibrated baseline model. The results show the enhancement of the model results due to the integration of the CaHyPro and highlight its interplay with the calibrated model parameters.〈/p〉
    Keywords: ddc:551.48 ; 2D hydrodynamic modeling ; calibration ; direct rainfall modeling ; hydrological processes ; radar data ; runoff formation
    Language: English
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  • 50
    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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  • 51
    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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  • 52
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    Unknown
    American Meteorological Society
    In:  EPIC3Journal of Physical Oceanography, American Meteorological Society, 54(4), pp. 1003-1018, ISSN: 0022-3670
    Publication Date: 2024-04-25
    Description: Coastal upwelling, driven by alongshore winds and characterized by cold sea surface temperatures and high upper-ocean nutrient content, is an important physical process sustaining some of the oceans’ most productive ecosystems. To fully understand the ocean properties in eastern boundary upwelling systems, it is important to consider the depth of the source waters being upwelled, as it affects both the SST and the transport of nutrients toward the surface. Here, we construct an upwelling source depth distribution for parcels at the surface in the upwelling zone. We do so using passive tracers forced at the domain boundary for every model depth level to quantify their contributions to the upwelled waters. We test the dependence of this distribution on the strength of the wind stress and stratification using high-resolution regional ocean simulations of an idealized coastal upwelling system. We also present an efficient method for estimating the mean upwelling source depth. Furthermore, we show that the standard deviation of the upwelling source depth distribution increases with increasing wind stress and decreases with increasing stratification. These results can be applied to better understand and predict how coastal upwelling sites and their surface properties have and will change in past and future climates.
    Repository Name: EPIC Alfred Wegener Institut
    Type: Article , isiRev
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  • 53
    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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  • 54
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    Unknown
    Seismological Society of America (SSA)
    In:  EPIC3The Seismic Record, Seismological Society of America (SSA), 3(2), pp. 125-133, ISSN: 2694-4006
    Publication Date: 2024-03-14
    Description: We present distributed fiber-optic sensing data from an airplane landing near the EastGRIP ice core drilling site on the Northeast Greenland Ice Stream. The recordings of exceptional clarity contain at least 15 easily visible wave propagation modes corresponding to various Rayleigh, pseudoacoustic, and leaky waves. In the frequency range from 8 to 55 Hz, seven of the modes can be identified unambiguously. Based on an a priori firn and ice model that matches P-wave dispersion and the fundamental Rayleigh mode, a Backus–Gilbert inversion yields an S-wavespeed model with resolution lengths as low as a few meters and uncertainties in the range of only 10 m/s. An empirical scaling from S wavespeed to density leads to a depth estimate of the firn–ice transition between 65 and 71 m, in agreement with direct firn core measurements. This work underlines the potential of distributed fiber-optic sensing combined with strong unconventional seismic sources in studies of firn and ice properties, which are critical ingredients of ice core cli-matology, as well as ice sheet dynamics and mass balance calculations.
    Repository Name: EPIC Alfred Wegener Institut
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  • 55
    facet.materialart.
    Unknown
    American Meteorological Society
    In:  EPIC3Journal of Climate, American Meteorological Society, 37(6), pp. 2059-2080, ISSN: 0894-8755
    Publication Date: 2024-04-22
    Description: Heat stress is projected to intensify with global warming, causing significant socioeconomic impacts and threatening human health. Wet-bulb temperature (WBT), which combines temperature and humidity effects, is a useful indicator for assessing regional and global heat stress variability and trends. However, the variations of European WBT and their underlying mechanisms remain unclear. Using observations and reanalysis datasets, we demonstrate a remarkable warming of summer WBT during the period 1958–2021 over Europe. Specifically, the European summer WBT has increased by over 1.08C in the past 64 years. We find that the increase in European summer WBT is driven by both near-surface warming temperatures and increasing atmospheric moisture content. We identify four dominant modes of European summer WBT variability and investigate their linkage with the large-scale atmospheric circulation and sea surface temperature anomalies. The first two leading modes of the European WBT variability exhibit prominent interdecadal to long-term variations, mainly driven by a circumglobal wave train and concurrent sea surface temperature variations. The last two leading modes of European WBT variability mainly show interannual variations, indicating a direct and rapid response to large-scale atmospheric dynamics and nearby sea surface temperature variations. Further analysis shows the role of global warming and changes in midlatitude circulations in the variations of summer WBT. Our findings can enhance the understanding of plausible drivers of heat stress in Europe and provide valuable insights for regional decision-makers and climate adaptation planning.
    Repository Name: EPIC Alfred Wegener Institut
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  • 56
    Publication Date: 2024-04-30
    Description: This study presents data and preliminary analysis from a temporary seismic network (SPQR), which was deployed in the urban area of Rome (Italy) for three months in early 2021. The network was designed to investigate the city’s subsurface while evaluating the feasibility of a permanent urban seismic network, and consisted of 24 seismic stations. Despite significant anthropogenic noise, the SPQR network well recorded earthquake signals, revealing clear spatial variability referable to site effects. In addition, the network’s continuous recordings allowed the use of seismic noise and earthquake signals to derive spectral ratios at sites located in different geological and lithological settings. During the experiment, there were periods of activity restrictions imposed on citizens to limit the spread of COVID‐19. Although the observed power spectral density levels at stations may not show visible noise reductions, they do cause variations in calculated spectral ratios across measurement sites. Finally, a statistical noise analysis was conducted on continuous seismic station data to evaluate their performance in terms of detection threshold for earthquakes. The results indicate that all network stations can effectively record earthquakes with a good signal‐to‐noise ratio (≥5 for P and S phases) in the magnitude range of 1.9–3.3 at distances of 10 km and 80 km, respectively. In addition, the network has the potential to record earthquakes of magnitude 4 up to 200 km, covering areas in Central Italy that are far from the city. This analysis shows that it is possible to establish urban observatories in noisy cities such as Rome, where hazard studies are of particular importance due to the high vulnerability (inherent fragility of its monumental heritage) and exposure.
    Description: The experiment was financed with funds of the Istituto Nazionale di Geofisica e Vulcanologia (INGV) dedicated to the institution’s open research projects (RicercaLibera) to promote free research within the INGV (Research Project: Three-dimensional shear-wave velocity imaging by ambient seismic noise tomography in the urban area of Rome city - Central Italy)
    Description: In press
    Description: OST5 Verso un nuovo Monitoraggio
    Description: JCR Journal
    Keywords: Urban seismology ; Seismic Site Effect ; Detection threshold of seismic network ; Seismic noise ; 04.06. Seismology ; 04.04. Geology
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 57
    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"〉The increasing demand for biomass for food, animal feed, fibre and bioenergy requires optimization of soil productivity, while at the same time, protecting other soil functions such as nutrient cycling and buffering, carbon storage, habitat for biological activity and water filter and storage. Therefore, one of the main challenges for sustainable agriculture is to produce high yields while maintaining all the other soil functions. Mechanistic simulation models are an essential tool to fully understand and predict the complex interactions between physical, biological and chemical processes of soils that generate those functions. We developed a soil model to simulate the impact of various agricultural management options and climate change on soil functions by integrating the relevant processes mechanistically and in a systemic way. As a special feature, we include the dynamics of soil structure induced by tillage and biological activity, which is especially relevant in arable soils. The model operates on a 1D soil profile consisting of a number of discrete layers with dynamic thickness. We demonstrate the model performance by simulating crop growth, root growth, nutrient and water uptake, nitrogen cycling, soil organic matter turnover, microbial activity, water distribution and soil structure dynamics in a long‐term field experiment including different crops and different types and levels of fertilization. The model is able to capture essential features that are measured regularly including crop yield, soil organic carbon, and soil nitrogen. In this way, the plausibility of the implemented processes and their interactions is confirmed. Furthermore, we present the results of explorative simulations comparing scenarios with and without tillage events to analyse the effect of soil structure on soil functions. Since the model is process‐based, we are confident that the model can also be used to predict quantities that have not been measured or to estimate the effect of management measures and climate states not yet been observed. The model thus has the potential to predict the site‐specific impact of management decisions on soil functions, which is of great importance for the development of a sustainable agriculture that is currently also on the agenda of the ‘Green Deal’ at the European level.〈/p〉
    Description: Bundesministerium für Bildung und Forschung http://dx.doi.org/10.13039/501100002347
    Description: https://git.ufz.de/bodium/bodium_v1.0
    Keywords: ddc:631.4 ; agriculture ; computational model ; simulation ; soil microbiology ; soil structure ; sustainable soil
    Language: English
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  • 58
    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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  • 59
    Publication Date: 2024-03-18
    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"〉Temperature and soil moisture are known to control pesticide mineralization. Half‐life times (DT〈sub〉50〈/sub〉) derived from pesticide mineralization curves generally indicate longer residence times at low soil temperature and moisture but do not consider potential changes in the microbial allocation of pesticide‐derived carbon (C). We aimed to determine carbon use efficiency (CUE, formation of new biomass relative to total C uptake) to better understand microbial utilization of pesticide‐derived C under different environmental conditions and to support the conventional description of degradation dynamics based on mineralization. We performed a microcosm experiment at two MCPA (2‐methyl‐4‐chlorophenoxyacetic acid) concentrations (1 and 20 mg kg〈sup〉−1〈/sup〉) and defined 20°C/pF 1.8 as optimal and 10°C/pF 3.5 as limiting environmental conditions. After 4 weeks, 70% of the initially applied MCPA was mineralized under optimal conditions but MCPA mineralization reached less than 25% under limiting conditions. However, under limiting conditions, an increase in CUE was observed, indicating a shift towards anabolic utilization of MCPA‐derived C. In this case, increased C assimilation implied C storage or the formation of precursor compounds to support resistance mechanisms, rather than actual growth since we did not find an increase in the 〈italic toggle="no"〉tfdA〈/italic〉 gene relevant to MCPA degradation. We were able to confirm the assumption that under limiting conditions, C assimilation increases relative to mineralization and that C redistribution, may serve as an explanation for the difference between mineralization and MCPA dissipation‐derived degradation dynamics. In addition, by introducing CUE to the temperature‐ and moisture‐dependent degradation of pesticides, we can capture the underlying microbial constraints and adaptive mechanisms to changing environmental conditions.〈/p〉
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉Changing environmental conditions alter the MCPA degradation dynamics and the allocation of pesticide‐derived carbon to anabolic or catabolic metabolism.〈boxed-text position="anchor" content-type="graphic" id="ejss13417-blkfxd-0001" xml:lang="en"〉 〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:13510754:media:ejss13417:ejss13417-toc-0001"〉 〈/graphic〉 〈/boxed-text〉〈/p〉
    Description: Collaborative Research Center 1253 CAMPOS (DFG)
    Description: Deutsche Forschungsgemeinschaft http://dx.doi.org/10.13039/501100001659
    Description: DFG Priority Program 2322 “Soil System”
    Description: Ellrichshausen Foundation
    Description: Research Training Group “Integrated Hydrosystem modeling”
    Description: https://doi.org/10.5281/zenodo.5081655
    Keywords: ddc:631.4 ; anabolism ; carbon use efficiency ; catabolism ; effect of soil moisture and temperature ; gene‐centric process model ; MCPA biodegradation
    Language: English
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  • 60
    Publication Date: 2024-03-22
    Description: Soil fauna drives crucial processes of energy and nutrient cycling in agricultural systems, and influences the quality of crops and pest incidence. Soil tillage is the most influential agricultural manipulation of soil structure, and has a profound influence on soil biology and its provision of ecosystem services. The objective of this study was to quantify through meta‐analyses the effects of reducing tillage intensity on density and diversity of soil micro‐ and mesofaunal communities, and how these effects vary among different pedoclimatic conditions and interact with concurrent management practices. We present the results of a global meta‐analysis of available literature data on the effects of different tillage intensities on taxonomic and functional groups of soil micro‐ and mesofauna. We collected paired observations (conventional vs. reduced forms of tillage/no‐tillage) from 133 studies across 33 countries. Our results show that reduced tillage intensity or no‐tillage increases the total density of springtails (+35%), mites (+23%), and enchytraeids (+37%) compared to more intense tillage methods. The meta‐analyses for different nematode feeding groups, life‐forms of springtails, and taxonomic mite groups showed higher densities under reduced forms of tillage compared to conventional tillage on omnivorous nematodes (+53%), epedaphic (+81%) and hemiedaphic (+84%) springtails, oribatid (+43%) and mesostigmatid (+57%) mites. Furthermore, the effects of reduced forms of tillage on soil micro‐ and mesofauna varied with depth, climate and soil texture, as well as with tillage method, tillage frequency, concurrent fertilisation, and herbicide application. Our findings suggest that reducing tillage intensity can have positive effects on the density of micro‐ and mesofaunal communities in areas subjected to long‐term intensive cultivation practices. Our results will be useful to support decision making on the management of soil faunal communities and will facilitate modelling efforts of soil biology in global agroecosystems. HIGHLIGHTS Global meta‐analysis to estimate the effect of reducing tillage intensity on micro‐ and mesofauna Reduced tillage or no‐tillage has positive effects on springtail, mite and enchytraeid density Effects vary among nematode feeding groups, springtail life forms and mite suborders Effects vary with texture, climate and depth and depend on the tillage method and frequency
    Description: Bundesministerium für Bildung und Forschung http://dx.doi.org/10.13039/501100002347
    Description: https://doi.org/10.20387/bonares-eh0f-hj28
    Keywords: ddc:631.4 ; agricultural land use ; conservation agriculture ; conventional agriculture ; soil biodiversity ; soil cultivation
    Language: English
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  • 61
    facet.materialart.
    Unknown
    American Meteorological Society
    In:  EPIC3Journal of Climate, American Meteorological Society, 37(8), pp. 2505-2518, ISSN: 0894-8755
    Publication Date: 2024-06-21
    Description: A fundamental statistic of climate variability is its spatiotemporal correlation function. Its complex structure can be concisely summarized by a frequency-dependent measure of the effective spatial degrees of freedom (ESDOF). Here we present, for the first time, frequency-dependent ESDOF estimates of global natural surface temperature variability from purely instrumental measurements, using the HadCRUT4 dataset (1850-2014). The approach is based on a newly developed method for estimating the frequency-dependent spatial correlation function from gappy data fields. Results reveal a multicomponent structure of the spatial correlation function, including a large-amplitude short-distance component (with weak time scale dependence) and a small-amplitude long-distance component (with increasing relative amplitude toward the longer time scales). Two frequency-dependent ESDOF measures are applied, each responding mainly to either of the two components. Both measures exhibit a significant ESDOF reduction from monthly to multidecadal time scales, implying an increase of the effective spatial scale of natural surface temperature fluctuations. Moreover, it is found that a good approximation to the global number of equally spaced samples needed to estimate the variance of global mean temperature is given, at any frequency, by the greater one of the two ESDOF measures, decreasing from ;130 at monthly to ;30 at multidecadal time scales. Finally, the multicomponent structure of the correlation function together with the detected ESDOF scaling properties indicate that the ESDOF reduction toward the longer time scales cannot be explained simply by diffusion acting on stochastically driven anomalies, as it might be suggested f rom simple stochastic-diffusive energy balance models.
    Repository Name: EPIC Alfred Wegener Institut
    Type: Article , isiRev
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  • 62
    facet.materialart.
    Unknown
    American Meteorological Society
    In:  EPIC3Journal of Climate, American Meteorological Society, 34(18), pp. 7373-7388, ISSN: 0894-8755
    Publication Date: 2024-06-21
    Description: Climate variability occurs over wide ranges of spatial and temporal scales. It exhibits a complex spatial covariance structure, which depends on geographic location (e.g., tropics vs extratropics) and also consists of a superposition of (i) components with gradually decaying positive correlation functions and (ii) teleconnections that often involve anticorrelations. In addition, there are indications that the spatial covariance structure depends on frequency. Thus, a comprehensive assessment of the spatiotemporal covariance structure of climate variability would require an extensive set of statistical diagnostics. Therefore, it is often desirable to characterize the covariance structure by a simple summarizing metric that is easy to compute from datasets. Such summarizing metrics are useful, for example, in the context of comparisons between climate models or between models and observations. Here we introduce a frequency-dependent version of a simple measure of the effective spatial degrees of freedom. The measure is based on the temporal variance of the global average of some climate variable, and its novel aspect consists in its frequency dependence. We also provide a clear geometric interpretation of the measure. Its easy applicability is demonstrated using near-surface temperature and precipitation fields obtained from a paleoclimate model simulation. This application reveals a distinct scaling behavior of the spatial degrees of freedom as a function of frequency, ranging from monthly to millennial scales.
    Repository Name: EPIC Alfred Wegener Institut
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  • 63
    Publication Date: 2024-05-30
    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"〉Deep‐ploughing far beyond the common depth of 30 cm was used more than 50 years ago in Northern Germany with the aim to break root‐restricting layers and thereby improve access to subsoil water and nutrient resources. We hypothesized that effects of this earlier intervention on soil properties and yields prevailed after 50 years. Hence, we sampled two sandy soils and one silty soil (Cambisols and a Luvisol) of which half of the field had been deep‐ploughed 50 years ago (soils then re‐classified as Treposols). The adjacent other half was not deep‐ploughed and thus served as the control. At all the three sites, both deep‐ploughed and control parts were then conventionally managed over the last 50 years. We assessed yields during the dry year 2019 and additionally in 2020, and rooting intensity at the year of sampling (2019), as well as changes in soil structure, carbon and nutrient stocks in that year. We found that deep‐ploughing improved yields in the dry spell of 2019 at the sandy sites, which was supported by a more general pattern of higher NDVI indices in deep‐ploughed parts for the period from 2016 to 2021 across varying weather conditions. Subsoil stocks of soil organic carbon and total plant‐available phosphorus were enhanced by 21%–199% in the different sites. Root biomass in the subsoil was reduced due to deep‐ploughing at the silty site and was increased or unaffected at the sandy sites. Overall, the effects of deep‐ploughing were site‐specific, with reduced bulk density in the buried topsoil stripes in the subsoil of the sandy sites, but with elevated subsoil density in the silty site. Hence, even 50 years after deep‐ploughing, changes in soil properties are still detectable, although effect size differed among sites.〈/p〉
    Description: BonaRes http://dx.doi.org/10.13039/501100022576
    Keywords: ddc:631.4 ; aggregates ; carbon sequestration ; deep‐ploughing ; macronutrients ; subsoil ; Treposol
    Language: English
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  • 64
    Publication Date: 2024-05-29
    Description: NORP-SORP Workshop on Polar Fresh Water: Sources, Pathways and Impacts of Freshwater in Northern and Southern Polar Oceans and Seas (SPICE-UP) What: Up to 60 participants at a time and more than twice as many registrants in total from 20 nations and across experience levels met to discuss the current status of research on freshwater in both polar regions, future directions, and synergies between the Arctic and Southern Ocean research communities When: 19–21 September 2022 Where: Online
    Repository Name: EPIC Alfred Wegener Institut
    Type: Article , notRev
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  • 65
    facet.materialart.
    Unknown
    American Meteorological Society
    In:  EPIC3Bulletin of the American Meteorological Society, American Meteorological Society, 104(9), pp. s1-s10, ISSN: 0003-0007
    Publication Date: 2024-05-29
    Description: 〈jats:title〉Abstract〈/jats:title〉 〈jats:p〉—J. BLUNDEN, T. BOYER, AND E. BARTOW-GILLIES〈/jats:p〉 〈jats:p〉Earth’s global climate system is vast, complex, and intricately interrelated. Many areas are influenced by global-scale phenomena, including the “triple dip” La Niña conditions that prevailed in the eastern Pacific Ocean nearly continuously from mid-2020 through all of 2022; by regional phenomena such as the positive winter and summer North Atlantic Oscillation that impacted weather in parts the Northern Hemisphere and the negative Indian Ocean dipole that impacted weather in parts of the Southern Hemisphere; and by more localized systems such as high-pressure heat domes that caused extreme heat in different areas of the world. Underlying all these natural short-term variabilities are long-term climate trends due to continuous increases since the beginning of the Industrial Revolution in the atmospheric concentrations of Earth’s major greenhouse gases.〈/jats:p〉 〈jats:p〉In 2022, the annual global average carbon dioxide concentration in the atmosphere rose to 417.1±0.1 ppm, which is 50% greater than the pre-industrial level. Global mean tropospheric methane abundance was 165% higher than its pre-industrial level, and nitrous oxide was 24% higher. All three gases set new record-high atmospheric concentration levels in 2022.〈/jats:p〉 〈jats:p〉Sea-surface temperature patterns in the tropical Pacific characteristic of La Niña and attendant atmospheric patterns tend to mitigate atmospheric heat gain at the global scale, but the annual global surface temperature across land and oceans was still among the six highest in records dating as far back as the mid-1800s. It was the warmest La Niña year on record. Many areas observed record or near-record heat. Europe as a whole observed its second-warmest year on record, with sixteen individual countries observing record warmth at the national scale. Records were shattered across the continent during the summer months as heatwaves plagued the region. On 18 July, 104 stations in France broke their all-time records. One day later, England recorded a temperature of 40°C for the first time ever. China experienced its second-warmest year and warmest summer on record. In the Southern Hemisphere, the average temperature across New Zealand reached a record high for the second year in a row. While Australia’s annual temperature was slightly below the 1991–2020 average, Onslow Airport in Western Australia reached 50.7°C on 13 January, equaling Australia's highest temperature on record.〈/jats:p〉 〈jats:p〉While fewer in number and locations than record-high temperatures, record cold was also observed during the year. Southern Africa had its coldest August on record, with minimum temperatures as much as 5°C below normal over Angola, western Zambia, and northern Namibia. Cold outbreaks in the first half of December led to many record-low daily minimum temperature records in eastern Australia.〈/jats:p〉 〈jats:p〉The effects of rising temperatures and extreme heat were apparent across the Northern Hemisphere, where snow-cover extent by June 2022 was the third smallest in the 56-year record, and the seasonal duration of lake ice cover was the fourth shortest since 1980. More frequent and intense heatwaves contributed to the second-greatest average mass balance loss for Alpine glaciers around the world since the start of the record in 1970. Glaciers in the Swiss Alps lost a record 6% of their volume. In South America, the combination of drought and heat left many central Andean glaciers snow free by mid-summer in early 2022; glacial ice has a much lower albedo than snow, leading to accelerated heating of the glacier. Across the global cryosphere, permafrost temperatures continued to reach record highs at many high-latitude and mountain locations.〈/jats:p〉 〈jats:p〉In the high northern latitudes, the annual surface-air temperature across the Arctic was the fifth highest in the 123-year record. The seasonal Arctic minimum sea-ice extent, typically reached in September, was the 11th-smallest in the 43-year record; however, the amount of multiyear ice—ice that survives at least one summer melt season—remaining in the Arctic continued to decline. Since 2012, the Arctic has been nearly devoid of ice more than four years old.〈/jats:p〉 〈jats:p〉In Antarctica, an unusually large amount of snow and ice fell over the continent in 2022 due to several landfalling atmospheric rivers, which contributed to the highest annual surface mass balance, 15% to 16% above the 1991–2020 normal, since the start of two reanalyses records dating to 1980. It was the second-warmest year on record for all five of the long-term staffed weather stations on the Antarctic Peninsula. In East Antarctica, a heatwave event led to a new all-time record-high temperature of −9.4°C—44°C above the March average—on 18 March at Dome C. This was followed by the collapse of the critically unstable Conger Ice Shelf. More than 100 daily low sea-ice extent and sea-ice area records were set in 2022, including two new all-time annual record lows in net sea-ice extent and area in February.〈/jats:p〉 〈jats:p〉Across the world’s oceans, global mean sea level was record high for the 11th consecutive year, reaching 101.2 mm above the 1993 average when satellite altimetry measurements began, an increase of 3.3±0.7 over 2021. Globally-averaged ocean heat content was also record high in 2022, while the global sea-surface temperature was the sixth highest on record, equal with 2018. Approximately 58% of the ocean surface experienced at least one marine heatwave in 2022. In the Bay of Plenty, New Zealand’s longest continuous marine heatwave was recorded.〈/jats:p〉 〈jats:p〉A total of 85 named tropical storms were observed during the Northern and Southern Hemisphere storm seasons, close to the 1991–2020 average of 87. There were three Category 5 tropical cyclones across the globe—two in the western North Pacific and one in the North Atlantic. This was the fewest Category 5 storms globally since 2017. Globally, the accumulated cyclone energy was the lowest since reliable records began in 1981. Regardless, some storms caused massive damage. In the North Atlantic, Hurricane Fiona became the most intense and most destructive tropical or post-tropical cyclone in Atlantic Canada’s history, while major Hurricane Ian killed more than 100 people and became the third costliest disaster in the United States, causing damage estimated at $113 billion U.S. dollars. In the South Indian Ocean, Tropical Cyclone Batsirai dropped 2044 mm of rain at Commerson Crater in Réunion. The storm also impacted Madagascar, where 121 fatalities were reported.〈/jats:p〉 〈jats:p〉As is typical, some areas around the world were notably dry in 2022 and some were notably wet. In August, record high areas of land across the globe (6.2%) were experiencing extreme drought. Overall, 29% of land experienced moderate or worse categories of drought during the year. The largest drought footprint in the contiguous United States since 2012 (63%) was observed in late October. The record-breaking megadrought of central Chile continued in its 13th consecutive year, and 80-year record-low river levels in northern Argentina and Paraguay disrupted fluvial transport. In China, the Yangtze River reached record-low values. Much of equatorial eastern Africa had five consecutive below-normal rainy seasons by the end of 2022, with some areas receiving record-low precipitation totals for the year. This ongoing 2.5-year drought is the most extensive and persistent drought event in decades, and led to crop failure, millions of livestock deaths, water scarcity, and inflated prices for staple food items.〈/jats:p〉 〈jats:p〉In South Asia, Pakistan received around three times its normal volume of monsoon precipitation in August, with some regions receiving up to eight times their expected monthly totals. Resulting floods affected over 30 million people, caused over 1700 fatalities, led to major crop and property losses, and was recorded as one of the world’s costliest natural disasters of all time. Near Rio de Janeiro, Brazil, Petrópolis received 530 mm in 24 hours on 15 February, about 2.5 times the monthly February average, leading to the worst disaster in the city since 1931 with over 230 fatalities.〈/jats:p〉 〈jats:p〉On 14–15 January, the Hunga Tonga-Hunga Ha'apai submarine volcano in the South Pacific erupted multiple times. The injection of water into the atmosphere was unprecedented in both magnitude—far exceeding any previous values in the 17-year satellite record—and altitude as it penetrated into the mesosphere. The amount of water injected into the stratosphere is estimated to be 146±5 Terragrams, or ∼10% of the total amount in the stratosphere. It may take several years for the water plume to dissipate, and it is currently unknown whether this eruption will have any long-term climate effect.〈/jats:p〉
    Repository Name: EPIC Alfred Wegener Institut
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  • 66
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    American Meteorological Society
    In:  EPIC3Bulletin of the American Meteorological Society, American Meteorological Society, 104(9), pp. s271-s321, ISSN: 0003-0007
    Publication Date: 2024-05-29
    Repository Name: EPIC Alfred Wegener Institut
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  • 67
    Publication Date: 2024-06-28
    Description: 〈jats:title〉Abstract〈/jats:title〉 〈jats:p〉This study quantifies the state-of-the-art in the rapidly growing field of seasonal Arctic sea ice prediction. A novel multi-model dataset of retrospective seasonal predictions of September Arctic sea ice is created and analyzed, consisting of community contributions from 17 statistical models and 17 dynamical models. Prediction skill is compared over the period 2001–2020 for predictions of Pan-Arctic sea ice extent (SIE), regional SIE, and local sea ice concentration (SIC) initialized on June 1, July 1, August 1, and September 1. This diverse set of statistical and dynamical models can individually predict linearly detrended Pan-Arctic SIE anomalies with skill, and a multi-model median prediction has correlation coefficients of 0.79, 0.86, 0.92, and 0.99 at these respective initialization times. Regional SIE predictions have similar skill to Pan-Arctic predictions in the Alaskan and Siberian regions, whereas regional skill is lower in the Canadian, Atlantic, and Central Arctic sectors. The skill of dynamical and statistical models is generally comparable for Pan-Arctic SIE, whereas dynamical models outperform their statistical counterparts for regional and local predictions. The prediction systems are found to provide the most value added relative to basic reference forecasts in the extreme SIE years of 1996, 2007, and 2012. SIE prediction errors do not show clear trends over time, suggesting that there has been minimal change in inherent sea ice predictability over the satellite era. Overall, this study demonstrates that there are bright prospects for skillful operational predictions of September sea ice at least three months in advance.〈/jats:p〉
    Repository Name: EPIC Alfred Wegener Institut
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  • 68
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 1 (1983), S. 0 
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: The equilibrium thermodynamics of the reaction:And the equilibrium constant is composed of activities formulated using ideal mixing on sites. Consideration is given to the evaluation of uncertainties in pressures calculated using the geobarometer. Preliminary testing suggests that the geobarometer has considerable potential. Much wider testing is now required.
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  • 69
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 1 (1983), S. 0 
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract. Pink piemontite-spessartine-bearing and grey-green spessartine-bearing manganiferous quartzose schists derived from siliceous pelagites, and green quartzofeldspathic schists, are described from the greenschist facies of the Haast Schist terrane, near Arrow Junction, western Otago. Electron microprobe data are reported for sphene, spessartine-rich garnet, manganoan epidote, piemontite, tourmaline, phengitic muscovite, chlorite, albite, haematite, rutile, manganoan calcite and chalcopyrite.Metamorphism occurred at about 6.4kbar, 400°C. Xco2 was above the quartz-rutile-calcite-sphene buffer (Xco2± 0.02) throughout the recorded metamorphic history of the piemontite schists. It dropped from above to below this critical buffering value in a spessartine-rich schist and it was close to or below the buffering value in the quartzofeldspathic schists. Production of piemontite required high fO2, believed to be inherited from MnOx in the parent pelagite. Substantial loss of O2 (e.g. minimum of 0.19% by weight in one rock) during diagenesis and/or metamorphism is inferred. In the grey-green schists this inhibited piemontite formation. Slight loss of O2 and Ca2+ accompanied minor late-stage replacement of piemontite by second generation spessartine. Observed zoning and mineral replacements indicate rise of temperature, drop in pressure, or invasion by solutions of lower fO2 and XCO2 equilibrated with surrounding schists.The detailed chemistry of the minerals studied correlates with available Mn and with bulk-rock (Fe3+ x 100)/(Fe2++ Fe3+). The oxidation ratio ranges from 24 in average green quartzofeldspathic schist, through 78 in average grey-green manganiferous quartzose schist, to almost 100 in some piemontite-bearing schists. As Fe2+ gives way to Fe3+, Mg/Fe ratios tend to rise in chlorite, phengite, tourmaline, spessartine, and calcite, Mn increases and Ti decreases in haematite, Mn increases in spessartine and calcite, and Fe increases in rutile. Available divalent cations are depleted relative to Al; chlorite is more aluminous, and phengite more paragonitic than in typical Haast schists.
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  • 70
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 1 (1983), S. 0 
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Field, petrographic and microprobe investigations of metaclastic rocks, calcareous schists, marbles, chloritic calcareous meta-volcanic units and schists/paragneisses which crop out along the eastern portion of the Central East-West Cross Island Highway in Taiwan demonstrate that metamorphic intensity gradually increases eastward. The lower greenschist facies Slate Formation on the W contains completely recrystallized, pure albitic plagioclase, but at least some of the white micas (± chlorites) probably represent relict detrital flakes. Neo-blastic biotite and epidote occur sporadically in the Pihou(?) Formation, and increase dramatically eastward; concomitantly the abundance of carbonaceous matter decreases to zero in the eastern Tailuko zone, and the amount of chlorite + white mica diminishes somewhat. Epidote becomes more aluminous at higher metamorphic grade. Eastward, phengites change progressively to more muscovitic compositions as the proportion of biotite increases.A close approach to chemical equilibrium for the pre-Cenozoic, complexly deformed metamorphic basement assemblages is suggested by regular, systematic, major and minor element partitioning between analysed coexisting phases. Fractionation is less pronounced on the E, reflecting higher temperatures. Estimated physical conditions of recrystallization with αH2O and αCO2 moderate, are: T 〉 325 ± 75°C, P 〉 3 kbar (W); T 〉 425 ± 75°C, P 〉 4kbar(E).The gradual eastward increase in metamorphic intensity from the Slate Formation through the Pihou(?) Formation and the three Tailuko zones, as well as the relict precursor textures in the pre-Cenozoic layered basement rocks indicate that the observed paragenetic sequence could represent a synchronous Neogene recrystallization event, probably accompanying the Plio-Pleistocene collision of the Asiatic continental margin and the Luzon (Coastal Range) andesitic arc.
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  • 71
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 1 (1983), S. 0 
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: The structure, microstructure and petrology of a small area close to the village of Bard in Val d'Aosta (Italy) has been studied in detail. The area lies across the contact between the Gneiss Minuti (GM) and the Eclogitic Micaschist (EMS) Complexes of the Lower element of the Sesia portion of the Sesia-Lanzo Zone (Western Alps). Both complexes have undergone high-pressure metamorphism, but the metamorphic assemblages indicate a sudden increase in pressure in going across the contact from the GM to the EMS. Therefore, we interpret the contact as a thrust dividing the lower element of the Sesia into two sub-elements. This interpretation is supported by structural evidence.The early Alpine (90-70 Ma) metamorphic history is best preserved in the EMS and is one of increasing pressure associated with thrusting. The maximum P/T recorded in the EMS is 〉1500 MPa (〉15kbar) and 550°C and in the GM is 〈 1500-1300 MPa (〈 15-13 kbar) and 500-550°C. We suggest that the rocks were probably in an active Benioff zone during this time.From then on the histories of the GM and EMS are the same. Deformation continued and the thrust and thrust slices were folded during decreasing pressure. We interpret the first postthrusting deformation in terms of uplift associated with continued shortening of the crust and underplating after the Benioff zone had become inactive and a new Benioff zone had developed further to the north-west.A still later deformation and the Lepontine metamorphism (38 Ma) are related to continued uplift. Much of this deformation is characterized by structures indicative of vertical shortening and lateral spreading as the mountains rose above the general level of the surface.
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  • 72
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 1 (1983), S. 0 
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
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  • 73
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 1 (1983), S. 0 
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: In the Boi Massif of Western Timor the Mutis Complex, which is equivalent to the Lolotoi Complex of East Timor, is composed of two lithostratigraphical components: various basement schists and gneisses; and the dismembered remnants of an ophiolite. Cordierite-bearing pelitic schists and gneisses carry an early mineral assemblage of biotite + garnet + plagioclase + Al-silicate, but contain no prograde muscovite; sillimanite occurs in a textural mode which suggests that it replaced and pseudomorphed kyanite at an early stage and some specimens of pelitic schist contain tiny kyanite relics in plagioclase. Textural relations between, and mineral chemistries of, ferro-magnesian phases in these pelitic chists and gneisses suggest that two discontinuous reactions and additional continuous compositional changes have been overstepped, possibly with concomitant anatexis, as a result of decrease in Pload during high temperature metamorphism. The simplified reactions are: garnet and/or biotite + sillimanite + quartz + cordierite + hercynite + ilmenite + excess components. P-T conditions during the development of the early mineral assemblage in the pelitic gneisses are estimated to have been P + 10 kbar and T 〉 750°C, based upon the plagioclase-garnet-Al-silicate-quartz geobarometer and the garnet-biotite geothermometer. P-T conditions during the subsequent development of cordierite-bearing mineral assemblages in the pelitic gneisses are estimated to have been P + 5 kbar and T + 700°C with XH2O 〈 0.5, based upon the Fe content of cordierite occurring in the assemblage quartz + plagioclase + sillimanite + biotite + garnet + cordierite coexisting with melt.Final equilibration between some of the phases suggests that conditions dropped to P 〉 2.3 kbar and T 〉 600°C. A similar exhumation P-T path is suggested for the pelitic schists with early metamorphic conditions of P 〉 6.2 kbar and T 〉 745°C and subsequent development of cordierite under conditions in the range P = 3-4 kbar and T = 600-700°C. The tectonic implications of these P-T estimates are discussed and it is concluded that the P-T path followed by these rocks was caused by decompression during rifting and synmetamorphic ophiolite emplacement resulting from processes during the initiation and development of a convergent plate junction located in Southeast Asia during late Jurassic to Cretaceous time.
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  • 74
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 1 (1983), S. 0 
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Plagioclase compositions vary from An0.1–2.5 to An32 with increasing grade in chlorite zone to oligoclase zone quartzofeldspathic schists, Franz Josef-Fox Glacier area, Southern Alps, New Zealand. This change is interrupted by the peristerite composition gap in rocks transitional between greenschist and amphibolite facies grade. Oligoclase (An20-24) and albite (An0.1–0.5) are found in biotite zone schists below the garnet isograd. With increasing grade, the plagioclase compositions outline the peristerite gap, which is asymmetric and narrows to compositions of An12 and An6 near the top of the garnet zone. In any one sample, oligoclase is the stable mineral in mica-rich layers above the garnet isograd, whereas albite and oligoclase exist in apparent textural equilibrium in adjacent quartz-plagioclase layers. The initial appearance of oligoclase in both layers results from the breakdown of epidote and possibly sphene. Carbonate is restricted to the quartz-plagioclase rich layers and probably accounts for the more sodic composition of oligoclase in these layers. The formation of more Ca-rich albite and more Na-rich oligoclase near the upper limit of the garnet zone coincides with the disappearance of carbonate and closure of the peristerite gap. Garnet appears to have only a localized effect on Ca-enrichment of plagioclase in mica-rich layers within the garnet zone. The Na-content of white mica increases sympathetically with increasing Ca-content of oligoclase and metamorphic grade.Comparison of the peristerite gap in the Franz Josef-Fox Glacier schists and schists of the same bulk composition in the Haast River area, 80 km to the S, indicates that oligoclase appears and epidote disappears at lower temperatures, and that the composition gap between coexisting albite and oligoclase is narrower in the Franz Josef-Fox Glacier area. It is suggested that a higher thermal gradient (38-40°C/km) and variations in Si/Al ordering during growth of the plagioclases between the two areas may account for these differences. In the Alpine schists the peristerite gap exists over a temperature and pressure interval of about 370-515°C and 5.5-7 kbar (550-700 MPa) PH2O.
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  • 75
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    Journal of metamorphic geology 2 (1984), S. 0 
    ISSN: 1525-1314
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    Topics: Geosciences
    Notes: In north-central Wopmay Orogen, syntectonic low-P(Buchan-type) suites of mineral isograds outline regional metamorphic temperature culminations that are associated, at the higher structural levels, with emplacement of early Proterozoic plutons in the west part of a deformed and eastward transported continental margin prism. The mapped isograds mark the first occurrence of biotite, staurolite, andalusite, sillimanite, sillimanite-K feldspar and K feldspar-plagioclase-quartz ± muscovite (granitic) pods in metapelites, with increasing proximity to the plutons.Microprobe analyses and field observations have resulted in the formulation of reactions for the ‘ideal’pelitic system K2O-Na2O-FeO-MgO-Al2O3-SiO2-H2O-Al2O3-SiO2-H2O, to account for the various mineral assemblages of each metamorphic zone. A P-T petrogenetic grid showing erosion surface P-T curves for the northern Wopmay Orogen pelites, compiled on the basis of the mapped isograds and the inferred reaction(s) for each metamorphic zone, documents a variation in exposed metamorphic pressure ranging between 2 and 4 kbar.The configuration of a new bathograd, based on the invariant model reaction sillimanite + K feldspar + plagioclase + biotite + quartz + vapor ± muscovite + liquid and interpolated across three metamorphic suites, is consistent with a major regional structure culmination and with independently determined pressures obtained from anorthite-grossular-quartz-Al2SiO5 geobarometry. The positive correlation between the configuration of the bathograd and the structural and pressure culmination points to the pressure-dependence of anatectic-granitic-pod mineral associations.
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  • 76
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    Topics: Geosciences
    Notes: Variations in assemblage and composition of the constituent minerals in basic and intermediate metavolcanics encountered in the Zarouchla Group of the Phyllite-Quartzite Series are consistent with a progressive sequence, corresponding to temperature conditions estimated at 290-380°C (minimum values) under a total pressure greater than 3°5kbar and possibly as high as 5 kbar. In the absence of more critical evidence, the parageneses recorded in the metavolcanic rocks are interpreted as belonging to a prograde facies series from the lawsonite-albitechlorite facies through the pumpellyite-actinolite facies to the greenschist facies. The present distribution of mineral assemblages does not show a simple increase of metamorphic grade in a given direction but is apparently related to the tectonic evolution of the metamorphic sequence.
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  • 77
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    Journal of metamorphic geology 2 (1984), S. 0 
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  • 78
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    Journal of metamorphic geology 2 (1984), S. 0 
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    Topics: Geosciences
    Notes: Abstract Mylonites from shear zones cutting Hercynian gneisses in the central Pyrenees have been studied in thin section and using the electron microprobe. The shear zones contain retrogressive greenschist facies assemblages implying introduction of an aqueous fluid during deformation in the zones. Textural evidence suggests that fluid-rock interaction occurred throughout the active life of the shear zones.Whole-rock chemical changes during deformation are documented in a variety of mylonitic lithologies and retrogressed country rocks. The overall effect was to reduce chemical differences between lithologies. Activity diagrams show that this would be expected if a hydrous fluid was circulating between different lithologies during deformation. In most cases fluid/rock ratios were relatively small resulting in gradual chemical changes and repeated recrystallization. ‘Open-system’behaviour with reduction in the number of phases is seen in some granite mylonites, suggesting focusing of fluid movement in parts of the shear zones. Continual fluid-rock interaction may have led to reaction-enhanced ductility in the shear zones over a long period of time. The source of fluid is uncertain, but may be related to underthrusting of material beneath the area investigated.
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  • 79
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    Journal of metamorphic geology 2 (1984), S. 0 
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    Topics: Geosciences
    Notes: Abstract The hornblende-bearing basic gneisses in the Uvete area, central Kenya, were metamorphosed under a narrow range of P and T (6.5 ± 0.5kbar and 530 ± 40°C) of the staurolitekyanite zone in the Mozambique metamorphic belt. They show a wide variety of divariant and trivariant mineral assemblages consisting of hornblende, cumminatonite, gedrite, anthophyllite, chlorite, garnet, epidote, clinopyroxene, plagio-clase and quartz. The bulk and mineral chemistries and the graphical representation of phase relations show that each mineral assemblage approaches chemical equilibrium and defines a unique composition volume in the A′(Al + Fe3+− (13/7)Na)-F(Fe2+)-M′(Mg)-C′(Ca-(3/7)Na) tetrahedron. The composition volumes are distributed quite regularly and do not overlap each other.The phase relations in the Uvete area are in contrast with those in the staurolite-kyanite zone amphibolites in the Mt. Cube quadrangle, Vermont. The amphibolites there contain low-variance mineral assemblages formed under different values of μH2O and μCO2. These assemblages define overlapping composition volumes in the A′-F′-M′-C’tetrahedron.The mineral assemblages in the Uvete area are interpreted as having formed in equilibrium with fluid at a high and nearly constant μH2O value. Such a fluid composition was externally controlled by the supply of H2O-rich fluid expelled from the surrounding pelitic and psammitic rocks. The body size of the basic gneisses in the Uvete area (less than 400m in thickness) was small enough for the fluid to migrate completely.
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  • 80
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    Journal of metamorphic geology 2 (1984), S. 0 
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    Topics: Geosciences
    Notes: Abstract Blueschist-facies rocks on the Seward Peninsula constitute a structurally coherent terrane measuring at least 100 × 150 km. Radiometric age data indicate that high-pressure metamorphism probably occurred in Jurassic rather than in Palaeozoic or Precambrian time, as previously suggested. Protolith sediments (Nome Group) are of intracontinental basin or continental margin type, and of lower Palaeozoic and possibly late Precambrian age, thus predating the high pressure metamorphism by more than 200 m.y.Blueschist-facies mineral assemblages were developed in almost all lithologies of the Nome Group, and are best preserved in FeTi-rich metabasites (glaucophane + almandine + epidote) and pelites (glaucophane + chloritoid + phengite). A lawsonite–crossite subfacies was developed in possible Nome Group rocks on the east flank of the Darby Mountains. Albite–epidote–amphibolite facies assemblages characterize Nome Group rocks in the southwestern part of the Peninsula. Metamorphism in the central zone of the terrane passed from early lawsonitic to subsequent epidote–almandine–glaucophane schist subfacies with the local development (east of the Nome River) of eclogitic assemblages.The high pressure metamorphic minerals were synkinematic with the development of mesoscopic-scale intrafolial isoclinal folds and a flattening foliation of consistent orientation. Initiation of uplift probably corresponded to the growth of barroisite rims on earlier sodic and actinolitic amphiboles, and partial post-kinematic greenschist facies replacements record later stages of decompression. Ophiolites and melange are not associated with the Seward Peninsula blueschists. The high-pressure metamorphism was caused by tectonic loading of a continental plate by an allochthon of indeterminate origin. The PT conditions of high pressure metamorphism were approximately 9–11 kbar, 400–450°C, thus falling between the PT paths of the Shuksan and Franciscan terranes.
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  • 81
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    Journal of metamorphic geology 2 (1984), S. 0 
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    Topics: Geosciences
    Notes: Abstract Two periods of garnet growth (Gt1 and Gt2) have been found in the Finnmarkian nappes of north Norway. In the Kolvik Nappe (the lowest nappe) Gt1 has preserved an S2 syntectonic spiral inclusion fabric; in the Olderfjord Nappe an earlier S1 fabric and an interkinematic inter-D1–D2 fabric have been preserved in Gt1 whilst only the S1 fabric has been found in Gt1 in the Brennsvik Nappe (the highest nappe). In each nappe Gt2 overgrew a penetrative fabric (S2) wrapped around Gt1. In the Kolvik Nappe inclusion fabrics may be continuous from Gt1 into Gt2 but in the higher nappes there is a distinct break. Gt2 may have been partially syntectonic with D3 in the Brennsvik Nappe.Chemically Gt1 in the Kolvik Nappe and in parts of the Olderfjord and Brennsvik Nappes has antithetic Fe-Mn zoning. In all nappes XCa and XMg are weakly zoned in Gt1; XMg increases outwards and is greater in the higher nappes in Gt1 suggesting higher nucleation temperatures. In the Olderfjord and Brennsvik Nappes Gt2 is marked by increasing XCa, probably due to changing garnet-plagioclase equilibria, although the Fe/Mg ratio remains constant. XMg is higher in Gt2 than Gt1.Basement rocks within the nappe pile have an early pre-Finnmarkian growth (Gt1) and a later Finnmarkian growth (GtH) correlated with Gt2 on the basis of chemical zoning patterns.The diachroneity of Gt1 is ascribed to progressively earlier (compared to the structural development) cessation of overstepping of garnet-forming reactions before peak metamorphism in the higher nappes, resulting in earlier structural events being preserved.
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  • 82
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    Topics: Geosciences
    Notes: Abstract Fluid inclusion studies of rocks from the late Archaean amphibolite-facies to granulite-facies transition zone of southern India provide support for the hypothesis that CO2,-rich H2O-poor fluids were a major factor in the origin of the high-grade terrain. Charnockites, closely associated leucogranites and quartzo-feldspathic veins contain vast numbers of large CO2-rich inclusions in planar arrays in quartz and feldspar, whereas amphibole-bearing gray gneisses of essentially the same compositions as adjacent charnockites in mixed-facies quarries contain no large fluid inclusions. Inclusions in the northernmost incipient charnockites, as at Kabbal, Karnataka, occasionally contain about 25 mol. % of immiscible H2O lining cavity walls, whereas inclusions from the charnockite massif terrane farther south do not have visibile H2OMicrothermometry of CO2 inclusions shows that miscible CH4 and N2 must be small, probably less than 10mol.%combined. Densities of CO2 increase steadily from north to south across the transitional terrane. Entrapment pressures calculated from the CO2 equation of state range from 5 kbar in the north to 7.5 kbar in the south at the mineralogically inferred average metamorphic temperature of 750°C, in quantitative agreement with mineralogic geobarometry. This agreement leads to the inference that the fluid inclusions were trapped at or near peak metamorphic conditions.Calculations on the stability of the charnockite assemblage biotite-orthopyroxene-K-feldspar-quartz show that an associated fluid phase must have less than 0.35 H2O activity at the inferred P and T conditions, which agrees with the petrographic observations. High TiO2 content of biotite stabilizes it to lower H2O activities, and the steady increase of biotite TiO2 southward in the area suggests progressive decrease of aH2O with increasing grade. Oxygen fugacities calculated from orthopyroxene-magnetite-quartz are considerably higher than the graphite CO2-O2 buffer, which explains the absence of graphite in the charnockites.The present study quantifies the nature of the vapours in the southern India granulite metamorphism. It remains to be determined whether CO2-flushing of the crust can, by itself, create large terranes of largeion lithophile-depleted granulites, or whether removal of H2O-bearing anatectic melts is essential.
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  • 83
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    Journal of metamorphic geology 2 (1984), S. 0 
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    Topics: Geosciences
    Notes: Abstract There are discrete masses of un-deformed metabasite within the blueschist series of the island of Syros. Greece. Around the margins of these masses are zonal sequences through rocks showing intracrystalline deformation but without a geometric fabric, to rocks with discrete and anastomosing shear zones, and finally to penetratively foliated rocks with isolated relics of the original undeformed texture. Textural relics suggest that this spatial sequence is at least qualitatively also a temporal sequence.This progressive shear zone deformation took place concurrently with a glaucophane-epidote to eclogite reaction. The reaction pathways in the rocks that underwent the shear zone deformation can be compared with those in rocks of a similar composition that suffered a longer deformation history and show no relics of an undeformed parent. Although the final assemblages are in both cases the same, the pathways are different. These differences are in part related to reactions promoted by the change from local to bulk equilibrium on the onset of deformation in the rocks. They are also related to the crystallization and later breakdown during the sequence of progressive equilibration of a metastable phase, in this case an impure glaucophane.
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  • 84
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    Journal of metamorphic geology 2 (1984), S. 0 
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    Topics: Geosciences
    Notes: Abstract The Rockley Volcanics from near Oberon, New South Wales occur within the aureole of the Carboniferous Bathurst Batholith and have been contact metamorphosed at P ∼ 100 ± 50MPa (10.5kbar) and a maximum T ∼ 565°C in the presence of a C–O–H fluid. Prior to contact metamorphism the volcanics were regionally metamorphosed and altered with the extensive development of actinolite, chlorite, plagioclase, quartz and calcite. The contact metamorphosed equivalents of these rocks have been subdivided into: Ca-poor (cordierite + gedrite), Mg-rich (amphibole + olivine + spinel), mafic (amphibole + plagioclase) and Ca-rich (amphibole + garnet + diopside; diopside + plagioclase; garnet + diopside + wollastonite) rocks.The chemistry of the minerals in the hornfelses was controlled by the bulk rock chemistry and fluid composition. Pargasites and hastingsites as well as an unusual phlogopite with blue green pleochroism, are found in Ca-rich hornfelses. A comparison of the assemblages with experimentally derived equilibria suggests that the fluid phase associated with the Ca-rich hornfelses was water-rich (Xco2= 0.1 to 0.3) while that associated with the Mg-rich hornfelses was enriched in CO2 (Xco2 〉 0.7). The different hornfels types have reacted to contact metamorphism independently in both their solid and fluid chemistries.
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  • 85
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    Journal of metamorphic geology 2 (1984), S. 0 
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    Topics: Geosciences
    Notes: Abstract A garnet–hornblende Fe–Mg exchange geothermometer has been calibrated against the garnet–clinopyroxene geothermometer of Ellis & Green (1979) using data on coexisting garnet + hornblende + clinopyroxene in amphibolite and granulite facies metamorphic assemblages. Data for the Fe–Mg exchange reaction between garnet and hornblende have been fitted to the equation. In KD=Δ (XCa,g) where KD is the Fe–Mg distribution coefficient, using a robust regression approach, giving a thermometer of the form: with very satisfactory agreement between garnet–hornblende and garnet–clinopyroxene temperatures. The thermometer is applicable below about 850°C to rocks with Mn-poor garnet and common hornblende of widely varying chemistry metamorphosed at low aO2.Application of the garnet–hornblende geothermometer to Dalradian garnet amphibolites gives temperatures in good agreement with those predicted by pelite petrogenetic grids, ranging from 520°C for the lower garnet zone to 565–610°C for the staurolite to kyanite zones. These results suggest that systematic errors introduced by closure temperature problems in the application of the garnet–clinopyroxene geothermometer to the ‘calibration’data set are not serious. Application to ‘eclogitic’garnet amphibolites suggests that garnet and hornblende seldom attain Fe–Mg exchange equilibrium in these rocks.Quartzo-feldspathic and mafic schists of the Pelona Schist on Sierra Pelona, Southern California, were metamorphosed under high pressure greenschist, epidote–amphibolite and (oligoclase) amphibolite facies beneath the Vincent Thrust at pressures deduced to be 10±1 kbar using the phengite geobarometer, and 8–9kbar using the jadeite content of clinopyroxene in equilibrium with oligoclase and quartz. Application of the garnet–hornblende thermometer gives temperatures ranging from about 480°C at the garnet isograd through 570°C at the oligoclase isograd to a maximum of 620–650°C near the thrust. Inverted thermal gradients beneath the Vincent Thrust were in the range 170 to 250°C per km close to the thrust.
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  • 86
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    Notes: Sapphirine occurs in a 3-5 m wide zone between amphibole-lherzolite and garnetiferous metagabbro at Finero in the Ivrea Zone, NW Italian Alps. Layers consisting of plag + hb + sa + cpx + opx + sp + gt are interbanded with spinel pyroxenites, which may contain sapphirine replacing spinel. All minerals are very magnesian, with XMg between 0.78 and 0.92. Bulk rock analyses suggest that precursors to the sapphirine-bearing rocks were igneous cumulates of plagioclase + olivine + hornblende + spinel. Up to 16wt% CaO does not inhibit sapphirine formation and it is the unusually Mg-rich nature of the host rocks which allows sapphirine development. The early igneous assemblage was replaced by one of cpx + sa + hb +± plag at a pressure of 9 ± 1 kbar and temperatures of 900 ± 50°C. Subsequent rapid uplift caused the instability of gt, gt + hb, hb and sa + cpx to form opx + plag ± sp ± sa symplectites.
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  • 87
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    Journal of metamorphic geology 1 (1983), S. 0 
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    Topics: Geosciences
    Notes: The Gran Paradiso basement complex of the French and Italian Alps is composed of metasediments, termed the gneiss minuti, and metabasic rocks, both of which are intruded by a late Hercynian granite. The Bonneval gneiss, which crops out at the western edge of the complex, is composed of highly deformed metasediments, volcanics and volcaniclastic rocks. Eclogites, now highly altered, occur in the metabasic rocks. Kyanite and blue-green amphibole are locally present in the gneiss minuti and aegirine plus riebeckite occur in the Bonneval gneiss. A moderately high pressure - low temperature metamorphic event of probable Alpine age occurred in the basement complex. This metamorphic event differs from that in the overlying Sesia unit and ophiolites of the Schistes lustrés nappe in being at lower pressures (below the ab = jd100+ qz transition) and post-dating the major (D2A) deformation. The origin of the metamorphism is discussed and interpreted as a probable consequence of the overlying nappe pile which was emplaced during the D2A event. Subsequent greenschist facies metamorphism in the basement complex is a consequence of thermal relaxation during uplift.
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  • 88
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    Topics: Geosciences
    Notes: Abstract. A method for the quantitative analysis of the spatial relations of minerals is described. Dispersed distributions are formed by annealing and destroyed in post-tectonic migmatization. Aggregate distributions characterize solid-state differentiation, whereas leucosomes formed in systems of high fluid:rock ratio (in the examples studied, anatectic melts) show random distributions.Quantitative textural analysis can be used to indicate whether migmatization was post-tectonic or earlier, though caution is necessary if post-migmatite cooling is slow or if there is some minor deformation. More importantly, it can be used to discriminate melt-present from melt-absent leucosomes; this is exemplified by a suite of metamorphic and anatectic migmatites from the Scottish Caledonides.The textural evolution of anatexites with increasing melt percentage is traced. Initial feldspar porphyroblastesis occurs by Ostwald ripening via grain boundary melts; subsequently ophthalmites develop with fabrics and chemistry inherited from the palaeosome. At greater than 30% melt these inherited fabrics are wholly destroyed. Deformation prompts segregation into melanosome and leucosome; resultant leucosomes contain no inherited crystals. The scale of anatectic systems is fixed at the point at which segregation begins; ophthalmites provide evidence for melt and crystal transfer beyond original palaeosome boundaries. In contrast, metamorphic migmatites are necessarily small-scale systems because of diffusive constraints, and melanosomes are invariably produced.
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  • 89
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    Notes: The oligoclase-biotite zone of the Bessi area, central Shikoku is characterized by sodic plagioclase (XCa= 0.10–0.28)-bearing assemblages in pelitic schists, and represents the highest-grade zone of the Sanbagawa metamorphic terrain. Mineral assemblages in pelitic schists of this zone, all with quartz, sodic plagioclase, muscovite and clinozoisite (or zoisite), are garnet + biotite + chlorite + paragonite, garnet + biotite + hornblende + chlorite, and partial assemblages of these two types. Correlations between mineral compositions, mineral assemblages and mineral stability data assuming PH2O = Psolid suggests that metamorphic conditions of this zone are about 610 ± 25°C and 10 ± 1 kbar.Based upon a comparative study of mineralogy and chemistry of pelitic schists in the oligoclase-biotite zone of the Sanbagawa terrain with those in the New Caledonia omphacite zone as an example of a typical high-pressure type of metamorphic belt and with those in a generalized‘upper staurolite zone’as an example of a medium-pressure type of metamorphic belt, progressive assemblages within these three zones can be related by reactions such as:
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    Topics: Geosciences
    Notes: An assemblage consisting of corundum, sapphirine, spinel, cordierite, garnet, biotite and bronzite is described from the Messina area of the Limpopo Mobile Belt, and consideration given to its petrogenesis. Various geothermometers and geobarometers have been applied in an attempt to determine the temperatures and pressures of metamorphism.A former coexistence of garnet and corundum is suggested to have developed during the earliest high pressure phase of the metamorphism, where temperatures exceeded 800°C and pressures as high as 10kbar may have been experienced. Subsequently, continuous retrograding reactions from medium pressure granulite facies at about 800°C and 8kbar towards amphibolite facies generated spinel, cordierite, sapphirine and possibly also bronzite. The most notable reaction was probably of the form: garnet + corundum = cordierite + sapphirine + spinel.
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  • 91
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    Topics: Geosciences
    Notes: A review of currently available information relevant to the Basal Gneiss Complex (BGC) of Western South Norway, combined with the authors’own observations, leads to the following conclusions.1. Most of the BGC consists of Proterozoic crystalline rocks and probably subordinate Lower Palaeozoic cover.2. The last major deformation of these rocks was during the Caledonian orogeny and involved large-scale thrusting, recumbent folding and doming. The structural development of the BGC is closely tied in with that of the Caledonian allochthon.3. The whole eclogite-bearing part of the BGC has suffered a high pressure metamorphism with conditions of between 550°C, 12.5 kbar (Sunnfjord) and about 750°C, 20 kbar (Møre og Romsdal) at the metamorphic climax.4. This metamorphism was of Caledonian age, probably rather early in the Caledonian tectonic history of the BGC and is considered to have been a rather transient event.By setting these conclusions in a framework provided by geophysical evidence for the deep structure of the crust in southern Norway we have constructed a geotectonic model to explain the recorded metamorphic history of the BGC. It is suggested that considerable crustal thickening was caused by imbrication of the Baltic plate margin during continental collision with the Greenland plate. This resulted in high pressure metamorphism in the resulting nappe stack. Progradation of the suture caused underthrusting of the Baltic foreland below the eclogite-bearing terrain causing it to emerge at the Earth's surface, aided by tectonic stripping and erosion.Application of isostacy equations to the model shows that eclogites can be formed by in-situ metamorphism in crustal rocks and reappear at the land surface above a normal thickness of crust in a single orogenic episode of approximately 65-70 Ma duration.
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    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Detailed geochronological, structural and petrological studies reveal that the geological evolution of the Field Islands area, East Antarctica, was substantially similar to that of the adjacent Archaean Napier Complex, though with notable differences in late and post Archaean times. These differences reflect the area's proximity to the Proterozoic Rayner Complex and consequent vulnerability to tectonic process involved in the formation of the latter. Distinctive structural features of the Field Islands are (1) consistent development of a discordant, pervasive S3 axial-plane foliation; (2) re-orientation of S3 axial planes to approximate to the subsequent E-W tectonic trend of the nearby Rayner Complex; (3) selective retrogression by a post-D3 static thermal overprint; and (4) relatively common development of retrogressive, E-W-trending, mylonitic shear zones.Peak metamorphic conditions in excess of 800°C at 900 ± 100 M Pa (9 kbar) were attained at one locality following, but probably close to the time of D2 folding. D3 took place in late Archaean times when metamorphic temperatures were about 650°C and pressures were about 600 MPa (6 kbar). Later, temperatures of 600 ± 50°C and pressures of 700 MPa (7kbar) were attained in an amphibolite-facies event, presumably associated with the widespread granulite to amphibolite-facies metamorphism and intense deformation involved in the formation of the Rayner Complex at about 1100 Ma. The area was subsequently subjected to near-isothermal uplift.Rb-Sr isotopic data indicate that the pervasive D3 fabric developed at about 2400–2500 Ma, and this age can be further refined to 2456+8-5 Ma by concordant zircon analyses from a syn-D3 pegmatite. All zircons were affected by only minor (〈7–10%) Pb loss and/or new zircon growth during the Rayner event at about 1100Ma. Thus the 450–850 μg/gU concentrations of these zircons were too low to cause sufficient lattice damage over the 1350 Ma (from 2450 Ma) for excessive Pb to be lost during the 1100 Ma event. The emplacement of pegmatite at 522 ± 10 Ma substantially changed the Rb-Sr systematics of the only analysed rock that developed a penetrative fabric during the 1100 Ma event. Monazite in this pegmatite contains an inherited Pb component, which probably resides in small opaque inclusions.A good correlation is found between Rb-Sr total-rock ages and rock fabric. U-Pb zircon intercepts with concordia also mostly correspond to known events. However, in one example a near perfect alignment of zircon analyses, probably developed by mixing of unrelated components, produced concordia intercepts that appear to have no direct geochronological significance.
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  • 93
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    Journal of metamorphic geology 2 (1984), S. 0 
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Coexisting Ca-poor and Ca-rich pyroxenes in granulites at Cape Riche, in the Precambrian Albany-Fraser Province, Western Australia, are dominantly chemically homogeneous within individual samples, suggesting a major episode of equilibration. However, occasional grains in a few samples contain exsolved domains interpreted as relics of an earlier, higher-T assemblage. Pyroxene pairs in ten, presumably isothermal, samples from a restricted area are used to (i) assess the suitability of several versions of the two-pyroxene thermometer for application to metamorphic rocks, and (ii) determine the thermal history of the Cape Riche pyroxenes.The various versions of the two-pyroxene thermometer applied to the well-equilibrated homogeneous pyroxene grains show poor to good precision and yield mean temperatures varying widely from 683° to 893°C, in the following order of increasing T: Lindsley (1983; opx version), 683°± 11°C; Kretz (1982; KD version), 705°± 19°C; Ross & Huebner (1975), 709°± 30°C; Kretz (1982; solvus version), 735°± 24°C; Fonarev & Graphchikov (1982; opx version), 〈750°C; Lindsley (1983; cpx version), 784°± 40°C; Fonarev & Graphchikov (1982; cpx version), ~820°± 30°C; Wood & Banno (1973), 849°± 16°C; Powell (1978), 854°± 23°C; Wells (1977), 893°± 10°C. Independent T estimates, based on mafic assemblages and garnet-biotite thermometry, suggest that the major episode of metamorphism occurred at 700-800°C (P ~ 5 kbar). Therefore the Wells, Powell, Wood & Banno and Fonarev & Graphchikov (cpx) temperatures are almost certainly too high. In the absence of a more precise independent T estimate it is difficult to assess the relative merits of the results obtained from the remaining versions of the two-pyroxene thermometer, none of which can be unequivocally demonstrated to be seriously in error, though the Lindsley (opx) T is probably too low. Other significant shortcomings evident in the results include the relatively poor precision obtained from the three methods based on purely graphical representation of the augite limb of the solvus (i.e., the Ross & Huebner, Fonarev & Graphchikov (cpx) and Lindsley (cpx) versions), and the apparent dependence of derived T on Mg/Fe2+ ratio for the Powell, Wood & Banno and Lindsley (cpx) methods.For the bulk compositions of exsolved domains, the different versions of the two-pyroxene thermometer yield mean temperatures 23° to 82°C (overall mean, 65°C) higher than for homogeneous grains in the same samples. These exsolved domains are interpreted as relics of a higher-T (peak?) metamorphic assemblage, rather than an igneous precursor.
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  • 94
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    Journal of metamorphic geology 2 (1984), S. 0 
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: This work presents the results of a fluid inclusion study of an amphibolite-granulite facies transition in West Uusimaa, S.W. Finland. Early fluid-inclusions in the granulite facies area are characteristically carbonic (CO2), in contrast to predominantly aqueous early inclusions in the amphibolite facies area. These early inclusions can be related to peak metamorphic conditions (750-820°C and 3-5 kbar for peak granulite facies metamorphism). Relatively young CO2 inclusions with low densities (〈0.8g/cm3) indicate that the first part of the cooling history of the rocks was characterized by a near isothermal uplift.N2-CH4 inclusions, with compositions ranging between pure CH4 and pure N2 (Raman spectral analysis), were found in the whole area. They are probably syn- or even pre-early inclusions. Only nearly critical homogenizing inclusions have been found (low density). Pressure estimates, based on densities of early fluid inclusions, show that the rapid transition of amphibolite towards granulite facies metamorphism is virtually isobaric. Granulite facies metamorphism in West Uusimaa is a thermal event, probably induced by the influx of hot, CO2-bearing fluids.
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  • 95
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    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 2 (1984), S. 0 
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Multisystems of n+k (k 〉 3) phases are very complicated and knowledge of them has suffered as a result. The successful solution of the topological relationships in n+ 3 phase multisystems by Zen (1966, 1967) and Zen & Roseboom (1972) has aroused much interest regarding what will happen in a multisystem of more than n+ 3 phases. Since 1979, some important research results on this topic have been published. These results have expounded the substantial rules governing the appearance of phase relations in phase diagrams of n - k (k 〉 3) phase multisystems. The most significant conclusions include: (1) It is impossible to incorporate all the possible phase relations in an n+k (k 〉 3) phase multisystem in a single closed net. Therefore, it is no longer enough to use only a single closed net to depict the topological relations involved in these types of multisystems. Instead, one or more groups of closed nets, namely the complete system(s) of closed nets are necessary for this purpose. (2) A principle called the Combination Principle has been proposed and proved. It states: Any closed net of one n+k (k 〉 3) phase multisystem must be a combination of two or more distinct n+ 3 order submultisystem closed nets belonging to the given n+k phase multisystem, if it is not one of the n+ 3 order submultisystem closed nets itself. The combination principle provides both a theoretical basis and a practical method for the construction of closed nets and, hence, for the derivation of the real phase diagrams for any n+k (k 〉 3) phase multisystem. (3) A theorem on divariant-assemblage-characteristic-stability-polygons is also important to our understanding of the n+k (k± 3) phase multisystem closed nets. This theorem can be stated as follows: A divariant assemblage of an n+k (k± 3) phase multisystem will be stable in an l-polygon lacking diagonals in an appropriate set of closed-net-diagrams, and this l-polygon may be at least a triangle, and at most a k-polygon. In addition, the closed-net-diagrams of unary and binary n+ 4 phase multisystems derived respectively by Guo (1980b, 1980c, 1981a) and by Roseboom & Zen (1982) have also been summarized. The combination principle is applied to a practical petrological problem in this paper, dealing with 7 phases in the system FeO-Fe2O3-SiO2.
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  • 96
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    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 2 (1984), S. 0 
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
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  • 97
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    Journal of metamorphic geology 2 (1984), S. 0 
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract The stability of quartz-chloritoid-staurolite-almandine-cordierite and aluminium silicates is used to constrain both metamorphic conditions and pressure-temperature trajectories for two localities within the 2700 Ma Archaean Yilgarn Block in Western Australia. Available experimental data are used to calculate thermodynamic data for a self-consistent set of equilibria between these minerals. A lower amphibolite facies locality from the margin of a lower strain area contains assemblages including quartz-chloritoid-staurolite-garnet-biotite with altered cordierite replacing chloritoid, quartz-staurolite-andalusite, and quartz-cordierite-andalusite-biotite. This locality was heated to 530–560°C in the andalusite field, at 4.2 kbar. A sample from a mid- to upper-amphibolite facies, highly strained locality contains relict staurolite enclosed by andalusite, in turn replaced by cordierite and muscovite with biotite and sillimanite in the matrix. The assemblage was heated isobarically from conditions near the maximum experienced by the lower grade locality of 560°C at 4.2 kbar to temperatures in excess of the andalusite-sillimanite transition but within the quartz plus muscovite stability field (600–650°C). The higher grade locality is close to a granitoid dome and sections based on gravity profiles reveal that this locality is underlain by granitoid at shallow depths. The higher grade metamorphism apparently reflects superposition of the thermal aureole on regional metamorphic conditions similar to those in the lower grade areas.
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  • 98
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    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 2 (1984), S. 0 
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
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  • 99
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    Journal of metamorphic geology 2 (1984), S. 0 
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract A major system of steep Caledonian shear zones, of regional extent, has been identified in NE Scotland. The shear zones affect a wide range of lithologies, including Argyll and Southern Highland Group Dalradian, ‘Younger Basic’intrusives and their hornfelses, and also the earlier of the more acid intrusions. The observed fabrics and parageneses are consistent with low-pressure amphibolite facies metamorphism. These shear zones represent a phase of movement which occurred in the 490-465 Ma interval when ambient temperatures were still high, and it is concluded that this is the principal control on the metamorphic grade achieved within the shear zones, although local anomalies may exist.
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  • 100
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    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 2 (1984), S. 0 
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract An experimental study of the system CaCO3–MgCO3–FeCO3 was undertaken in order to calibrate the iron correction to the calcite–dolomite geothermometer, which is based on the solubility of magnesium in calcite in the assemblage calcite + dolomite. The experiments, at 450°C and lower temperatures, resulted in products with a very small grain size and incomplete equilibration. However, application of a carefully-devised automatic data processing algorithm to analyses of the phases in experimental charges, combined with a thermodynamic analysis, results in geothermometer diagrams which should be preferred to previous theoretical predictions.
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