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  • Institute of Physics  (221,194)
  • Blackwell Publishing Ltd  (51,301)
  • International Union of Crystallography  (48,526)
  • 2020-2024  (323)
  • 2005-2009  (166,095)
  • 1985-1989  (84,339)
  • 1980-1984  (68,532)
  • 1925-1929
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  • 1
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    Evidence of seismic deformation of the paved floor of the decumanus at Tindari (NE, Sicily) (2008)
    Blackwell Publishing Ltd
    Details
    Publication Date: 2017-04-04
    Description: Most of the ancient town of Tindari (NE, Sicily) was settled on a plateau the most surficial layer of which was made of unconsolidated material. Ongoing excavations at the archaeological site at Tindari uncovered a large portion of the decumanus which suffered deformations preliminarily assigned to coseismic effects. An analysis of the local dynamic response through the simulation of strong seismic shaking to the bedrock and modelling of spectral ratios of the bedrock-soft soil was carried out to verify the susceptibility of superficial terrains of the promontory to coseismic deformations. To perform this simulation the finite element method (FEM) was used. Four accelerometric recordings of three earthquakes of medium-high magnitude, recorded on rocky sites, were chosen to simulate the seismic shaking, using a constitutive law for the materials composing the promontory layers both of linear-elastic type and of elastoplastic type. The analysis of the linear-elastic field allowed the definition of the frequencies for which the spectral ratios of the accelerations recorded the highest amplifications; in particular the frequency range 31.5–37.2 Hz can be combined with deformation of the paved floor of the decumanus. The analysis in the elastoplastic field highlighted the zones of promontory more susceptible to suffer plasticization process. The results show that the topmost layer of the decumanus is the most susceptible to suffer plasticization. Therefore, the performed analysis lends greater support to the hypothesis that the deformations were produced by seismic shaking.
    Description: Published
    Description: 213-222
    Description: 3.10. Sismologia storica e archeosismologia
    Description: JCR Journal
    Description: reserved
    Keywords: Fourier analysis ; Elasticity and anelasticity ; Earthquake ground motions ; Site effects ; Computational seismology ; 04. Solid Earth::04.06. Seismology::04.06.99. General or miscellaneous ; 04. Solid Earth::04.06. Seismology::04.06.05. Historical seismology
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
    Type: article
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  • 2
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    Tectonic features of the Lipari–Vulcano complex (Aeolian archipelago, Italy) from 10 years (1996–2006) of GPS data (2008)
    Blackwell Publishing Ltd
    Details
    Publication Date: 2017-04-04
    Description: The tectonic deformation of the Lipari-Vulcano complex, one of the most important active volcanic areas of Mediterranean region, is studied here through the analysis of ten years (1996-2006) of GPS data from both 3 permanent and 13 non-permanent stations. This area can be considered crucial for the understanding of the Eurasia-Africa plates interaction in the Mediterranean area, and, in general, this work emphasize a methodological approach, already applied in other areas worldwide (e.g. Shen et al., 1996, El-Fiki and Kato, 1999) where geodetic data and strain parameters maps of critical areas can help to improve our understanding of their geodynamical aspects. In this framework, this study is aimed at providing a kinematic deformation model on the basis of the dense geodetically estimated velocities of the Lipari-Vulcano complex. In particular, the observed deformation pattern can be described by a mix between 1) the main N-S regional compression and 2) a NNE-SSW compression with a small right-lateral strike slip component acting along a tectonic structure N°40W trending located between the two islands. This pattern was inspected through a simplified synthetic model.
    Description: This research has benefited from funding provided by the Italian Presidenza del Consiglio dei Ministri – Dipartimento della Protezione Civile (DPC).
    Description: Published
    Description: 370–377
    Description: 1.9. TTC - Rete GPS nazionale
    Description: JCR Journal
    Description: reserved
    Keywords: GPS ; Aeolian Islands ; strain ; modelling ; 04. Solid Earth::04.03. Geodesy::04.03.01. Crustal deformations
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 3
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    P-wave propagation heterogeneity and earthquake location in the Mediterranean region (2008)
    Blackwell Publishing Ltd
    Details
    Publication Date: 2012-02-03
    Description: We analyse P-wave traveltimes for the Mediterranean area, using both teleseismic and regional arrivals for shallow earthquakes reported in the Bulletins of the International Seismological Centre. We model delays between pairs of 0.5° × 0.5° cells, obtaining a detailed representation of the P traveltime heterogeneities. Examination of these anomalies shows the clear presence of geographically coherent patterns—consistent with known geological features—due to significant structure in the upper mantle. We present a scheme, based on an empirical heterogeneity correction (EHC) to P-wave traveltimes, to improve earthquake location. This method provides similar benefits to those of a location procedure based on ray tracing in a 3-D model, but it is simpler and computationally more efficient. The definition of the traveltime heterogeneity model, being based on a statistical procedure, bypasses most of the critical points and possible instabilities involved in model inversion. EHC relocation, applied to Mediterranean earthquakes, allows one to predict about 70 per cent of the estimated signal due to heterogeneity and produces epicentral and origin time-shifts of, respectively, 4.22 km and 0.35 s (rms). From a synthetic experiment, in which we use the proposed algorithm to retrieve known source locations, we estimate that the rms improvement achieved by the EHC relocation over a simpler, standard, 1-D location is more than 20 per cent for both epicentral mislocation and origin time-shifts.
    Description: Published
    Description: 232-254
    Description: 3.3. Geodinamica e struttura dell'interno della Terra
    Description: JCR Journal
    Description: reserved
    Keywords: earthquake location ; Mediterranean ; P waves ; traveltime ; upper mantle ; 04. Solid Earth::04.07. Tectonophysics::04.07.02. Geodynamics
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 4
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    New results of 40Ar/39Ar dating constrain the timing of transition from fissure-type to central volcanism at Mount Etna (Italy) (2008)
    Blackwell Publishing Ltd
    Details
    Publication Date: 2017-04-04
    Description: Recent geological studies performed at Etna allow reassessing the stratigraphic frame of the volcano where distinct evolutionary phases are defined. This stratigraphic reconstruction was chronologically constrained on the basis of a limited number of U–Th and K–Ar age determinations whose uncertainty margins are sometimes too wide. For this reason, we successfully adopted at Etna the 40Ar/39Ar technique that allowed obtaining more precise age determinations. The incremental heating technique also gives information on sample homogeneity, and potential problems of trapped argon. Five samples were collected from stratigraphically well-controlled volcanic units in order to chronologically define the transition between the fissure-type volcanism of the Timpe phase to the central volcanism of the Valle del Bove Centers. Isotopic ages with an uncertainty margin of 2–4% have been obtained emphasizing that this transition occurred (130– 126 ka) without significant temporal hiatus.
    Description: University of Catania grants (COFIN- 2002, resp. F. Lentini); CNR-IDPA and INGV-Sezione di Catania grants.
    Description: Published
    Description: 292-298
    Description: 3.5. Geologia e storia dei sistemi vulcanici
    Description: JCR Journal
    Description: reserved
    Keywords: 40Ar/39Ar dating ; Etna ; 04. Solid Earth::04.04. Geology::04.04.99. General or miscellaneous
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 5
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    Methane seepage in an urban development area (Bacau, Romania): origin, extent, and hazard (2008)
    Blackwell Publishing Ltd
    Details
    Publication Date: 2017-04-04
    Description: The paper describes a case of a natural emission of methane from soil in an urban development area, generating a significant risk for the local population and buildings, due to gas explosiveness and asphyxiation potential. The site is located on the south-western margin of the East-European Platform in eastern Romania, in a hydrocarbon-prone area crossed by the Pericarpathian lineament and regional faults. Molecular composition of gas and stable isotopic analyses of methane (CH4〉90%, δ to the power of 13 C1: -49.4‰, δD1: -173.4‰) indicate a dominant thermogenic origin, with significant amounts of C2-C5 alkanes (~5%), likely migrating through faults from a deep reservoir. Possible candidates are the Saucesti and Secuieni gas fields, located in the same petroleum system. Two surface geochemical surveys, based on closed-chamber flux measurements, were performed to assess the degassing intensity and the extent of the affected area. Methane fluxes from soil reach orders of 10 to the power of 4 mg m to the power of -2 day to the power of -1. Gas seepage mainly occurs in one zone 30 000 m2 wide, and it is likely controlled by channeling along a fault and gas accumulation in permeable sediments and shallow subsoil. The estimated total CH4 emission is about 40 t year to the power of -1 CH4, of which 8–9 t year to the power of -1 are naturally released from soil and 30–35 t year to the power of -1 are emitted from shallow boreholes. These wells have likely channeled the gas accumulated in shallow alluvial sediment but gas flux from soil is still high and mitigation measures are needed to reduce the risk for humans and buildings.
    Description: Published
    Description: 311-320
    Description: 3.8. Geofisica per l'ambiente
    Description: JCR Journal
    Description: reserved
    Keywords: gas hazard ; methane seepage ; soil degassing ; thermogenic gas ; 03. Hydrosphere::03.04. Chemical and biological::03.04.05. Gases
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 6
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    New evidence for a mixed inorganic and organic origin of the Olympic Chimaera fire (Turkey): a large onshore seepage of abiogenic gas (2008)
    Blackwell Publishing Ltd
    Details
    Publication Date: 2017-04-04
    Description: The Chimaera gas seep, near Antalya (SW Turkey), has been continuously active for thousands of years and it is known to be the source of the first Olympic fire in the Hellenistic period. New and thorough molecular and isotopic analyses including methane (approximately 87% v/v; δ to the power of 13 C1 from -7.9‰ to -12.3‰; δ to the power of 13 D1 from -119‰ to -124‰), light alkanes (C2 + C3 + C4 + C5 = 0.5%; C6+: 0.07%; δ to the power of 13 C2 from -24.2‰ to -26.5‰; δ to the power of 13 C3 from -25.5‰ to -27‰), hydrogen (7.5–11%), carbon dioxide (0.01–0.07%; δ to the power of 13 CCO2: -15‰), helium (approximately 80 ppmv; R/Ra: 0.41) and nitrogen (2–4.9%; δ to the power of 15 N from -2‰ to -2.8‰) converge to indicate that the seep releases a mixture of organic thermogenic gas, related to mature type III kerogen occurring in Palaeozoic and Mesozoic organic-rich sedimentary rocks, and abiogenic gas produced by low-temperature serpentinization in the Tekirova ophiolitic unit. Methane is not related to mantle or magma degassing. The abiogenic fraction accounts for about half of the total gas released, which is estimated to be well beyond 50 ton year to the power of -1. Ophiolites and limestones are in contact along a tectonic dislocation leading to gas mixing and migration to the Earth’s surface. Chimaera represents the biggest emission of abiogenic methane on land discovered so far. Deep and pressurized gas accumulations are necessary to sustain the Chimaera gas flow for thousands of years and are likely to have been charged by an active inorganic source.
    Description: Published
    Description: 263-273
    Description: 3.8. Geofisica per l'ambiente
    Description: JCR Journal
    Description: reserved
    Keywords: abiogenic methane ; isotopic composition ; ophiolites ; seep ; serpentinization ; 03. Hydrosphere::03.04. Chemical and biological::03.04.05. Gases
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 7
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    Multiple hydro-fracturing by boron-rich fluids in the Late Miocene contact aureole of eastern Elba Island (Tuscany, Italy) (2008)
    Blackwell Publishing Ltd
    Details
    Publication Date: 2017-04-04
    Description: In eastern Elba Island (Tuscany, Italy), a shallow crustal level felsic, tourmaline-bearing, dyke-sill swarm of Late Miocene age is associated with abundant tourmaline-quartz hydrothermal veins and metasomatic masses. Development of these veins and masses in the host rocks demonstrates multiple hydro-fracturing by magmatic, boron-rich saline fluid. Tourmalines in felsic dykes are schorl, whereas in veins and metasomatic masses, tourmaline composition ranges from schorl-dravite through dravite to uvite. This compositional shift is evidence for an increasing contribution to the magmatic boron-rich fluids by a Mg-Ca-Ti-rich external component represented by biotite-rich and amphibolite host rocks. This system can be envisaged as an exposed proxy of the high temperature hydrothermal system presently active in the deepest part of the Larderello-Travale geothermal field (Tuscany).
    Description: Published
    Description: 318-326
    Description: 3.3. Geodinamica e struttura dell'interno della Terra
    Description: 3.5. Geologia e storia dei sistemi vulcanici
    Description: JCR Journal
    Description: reserved
    Keywords: Hydro-fractures ; geothermal systems ; Magmatism ; southern Tuscany ; 04. Solid Earth::04.01. Earth Interior::04.01.99. General or miscellaneous ; 04. Solid Earth::04.04. Geology::04.04.09. Structural geology
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 8
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    Digitization of imaging plates from Guinier powder X‐ray diffraction cameras (2022)
    Nasir, Jamal ; Steinbrück, Nils ; Xu, Ke ; [et al.]
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-01-15
    Description: A Guinier camera equipped with an imaging plate is used to investigate and eliminate the sources of instrumental errors affecting the quality of the obtained scanned Guinier data. A program with a graphical user interface is presented which converts the data of the scanned images into different standard file formats for powder X‐ray patterns containing intensities, their standard deviations and the diffraction angles. The program also allows for manual and automatic correction of the 2gθ scale against a known reference material. It is shown using LaB6 that the exported X‐ray diffraction patterns provide a 2gθ scale reproducible enough to allow for averaging diffractograms obtained from different exposures of the imaging plate for the same sample. As shown on a mixture of NaCl and sodalite, the quality of the produced data is sufficient for Rietveld refinement. The software including source code is made available under a free software license.
    Description: A program for the digitization of Guinier powder diffraction images is described, which works with images from both optical and laser scanners. Thus, processing of data from storage‐phosphor‐based imaging plates and Ag‐based photographic films is possible.
    Keywords: ddc:548 ; IPreader software ; Guinier cameras ; imaging plates (IPs) ; diffraction pattern conversion into data columns ; powder X‐ray diffraction ; data processing ; Guinier method
    Language: English
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  • 9
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    Non‐exchangeable stable hydrogen isotope ratios in clay minerals and soil clay fractions: A method test (2022)
    Blackwell Publishing Ltd | Oxford, UK
    Details
    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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  • 10
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    Crystal diffraction prediction and partiality estimation using Gaussian basis functions (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-07-04
    Description: The recent diversification of macromolecular crystallographic experiments including the use of pink beams, convergent electron diffraction and serial snapshot crystallography has shown the limitations of using the Laue equations for diffraction prediction. This article gives a computationally efficient way of calculating approximate crystal diffraction patterns given varying distributions of the incoming beam, crystal shapes and other potentially hidden parameters. This approach models each pixel of a diffraction pattern and improves data processing of integrated peak intensities by enabling the correction of partially recorded reflections. The fundamental idea is to express the distributions as weighted sums of Gaussian functions. The approach is demonstrated on serial femtosecond crystallography data sets, showing a significant decrease in the required number of patterns to refine a structure to a given error.
    Description: Reflection position, size and shape prediction and partiality estimation of crystal diffraction by integrating using a Gaussian basis are described.
    Keywords: ddc:548 ; partiality estimation ; diffraction prediction ; merging ; serial snapshot crystallography
    Language: English
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  • 11
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    Small‐angle neutron scattering of long‐wavelength magnetic modulations in reduced sample dimensions (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-07-04
    Description: Magnetic small‐angle neutron scattering (SANS) is ideally suited to providing direct reciprocal‐space information on long‐wavelength magnetic modulations, such as helicoids, solitons, merons or skyrmions. SANS of such structures in thin films or micro‐structured bulk materials is strongly limited by the tiny scattering volume vis a vis the prohibitively high background scattering by the substrate and support structures. Considering near‐surface scattering just above the critical angle of reflection, where unwanted signal contributions due to substrate or support structures become very small, it is established that the scattering patterns of the helical, conical, skyrmion lattice and fluctuation‐disordered phases in a polished bulk sample of MnSi are equivalent for conventional transmission and near‐surface SANS geometries. This motivates the prediction of a complete repository of scattering patterns expected for thin films in the near‐surface SANS geometry for each orientation of the magnetic order with respect to the scattering plane.
    Description: Near‐surface SANS is discussed for its potential as a probe of long‐wavelength magnetic modulations in specimens with reduced sample dimensions.
    Keywords: ddc:548 ; small‐angle neutron scattering ; near‐surface SANS ; magnetism ; non‐collinear magnetism ; thin films ; skyrmions ; MnSi
    Language: English
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  • 12
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    In situ neutron diffraction for analysing complex coarse‐grained functional materials (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-10-24
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉Complex functional materials play a crucial role in a broad range of energy‐related applications and in general for materials science. Revealing the structural mechanisms is challenging due to highly correlated coexisting phases and microstructures, especially for 〈italic〉in situ〈/italic〉 or 〈italic〉operando〈/italic〉 investigations. Since the grain sizes influence the properties, these microstructural features further complicate investigations at synchrotrons due to the limitations of illuminated sample volumes. In this study, it is demonstrated that such complex functional materials with highly correlated coexisting phases can be investigated under 〈italic〉in situ〈/italic〉 conditions with neutron diffraction. For large grain sizes, these experiments are valuable methods to reveal the structural mechanisms. For an example of 〈italic〉in situ〈/italic〉 experiments on barium titanate with an applied electric field, details of the electric‐field‐induced phase transformation depending on grain size and frequency are revealed. The results uncover the strain mechanisms in barium titanate and elucidate the complex interplay of stresses in relation to grain sizes as well as domain‐wall densities and mobilities.〈/p〉
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉This work reports 〈italic〉in situ〈/italic〉 neutron diffraction experiments on a broad range of grain sizes of barium titanate. The study reveals the grain‐size‐dependent strain mechanisms and shows the competitiveness of neutron diffraction with high‐resolution synchrotron diffraction.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005767:jcr2vb5054:jcr2vb5054-fig-0001"〉 〈alt-text〉image〈/alt-text〉 〈/graphic〉〈/boxed-text〉〈/p〉
    Keywords: ddc:550.724 ; ddc:548 ; neutron diffraction ; in situ ; applied electric fields ; barium titanate ; strain mechanisms ; grain sizes ; complex functional materials ; microstructures ; coexisting phases
    Language: English
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  • 13
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    Using diffraction losses of X‐rays in a single crystal for determination of its lattice parameters as well as for monochromator calibration (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-12-04
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉A way has been developed to measure the unit‐cell parameters of a single crystal just from an energy scan with X‐rays, even when the exact energy of the X‐rays is not well defined due to an error in the pitch angle of the monochromator. The precision of this measurement reaches 〈italic〉da〈/italic〉/〈italic〉a〈/italic〉 ∼ 1 × 10〈sup〉−5〈/sup〉. The method is based on the analysis of diffraction losses of the beam, transmitted through a single crystal (the so‐called `glitch effect'). This method can be easily applied to any transmissive X‐ray optical element made of single crystals (for example, X‐ray lenses). The only requirements are the possibility to change the energy of the generated X‐ray beam and some intensity monitor to measure the transmitted intensity. The method is agnostic to the error in the monochromator tuning and it can even be used for determination of the absolute pitch (or 2gθ) angle of the monochromator. Applying the same method to a crystal with well known lattice parameters allows determination of the exact cell parameters of the monochromator at any energy.〈/p〉
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉Diffraction losses (glitches) at certain energies of the X‐ray beam, transmitted through a single crystal, can be used for lattice parameters determination as well as for calibrating the monochromator (absolute pitch angle and the unit‐cell parameter).〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005775:jsy2ay5590:jsy2ay5590-fig-0001"〉 〈alt-text〉image〈/alt-text〉 〈/graphic〉〈/boxed-text〉〈/p〉
    Keywords: ddc:548 ; X‐ray glitches ; diffraction losses ; unit‐cell parameter ; single‐crystal X‐ray optics ; monochromator calibration
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  • 14
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    Energy‐dispersive X‐ray stress analysis under geometric constraints: exploiting the material's inherent anisotropy (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-09-12
    Description: Two data evaluation concepts for X‐ray stress analysis based on energy‐dispersive diffraction on polycrystalline materials with cubic crystal structure, almost random crystallographic texture and strong single‐crystal elastic anisotropy are subjected to comparative assessment. The aim is the study of the residual stress state in hard‐to‐reach measurement points, for which the sin2ψ method is not applicable due to beam shadowing at larger sample tilting. This makes the approaches attractive for stress analysis in engineering parts with complex shapes, for example. Both approaches are based on the assumption of a biaxial stress state within the irradiated sample volume. They exploit in different ways the elastic anisotropy of individual crystallites acting at the microscopic scale and the anisotropy imposed on the material by the near‐surface stress state at the macroscopic scale. They therefore complement each other, in terms of both their preconditions and their results. The first approach is based on the evaluation of strain differences, which makes it less sensitive to variations in the strain‐free lattice parameter a0. Since it assumes a homogeneous stress state within the irradiated sample volume, it provides an average value of the in‐plane stresses. The second approach exploits the sensitivity of the lattice strain to changes in a0. Consequently, it assumes a homogeneous chemical composition but provides a stress profile within the information depth. Experimental examples from different fields in materials science, namely shot peening of austenitic steel and in situ stress analysis during welding, are presented to demonstrate the suitability of the proposed methods.
    Description: The single‐crystal elastic anisotropy and the anisotropy of the near‐surface (residual) stress state of polycrystalline materials with random texture are exploited in energy‐dispersive X‐ray stress analysis to study samples under constrained measurement conditions.
    Keywords: ddc:548 ; X‐ray stress analysis ; energy‐dispersive diffraction ; polycrystalline materials ; single‐crystal elastic anisotropy
    Language: English
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  • 15
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    Use of electron backscatter diffraction patterns to determine the crystal lattice. Part 3. Pseudosymmetry (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-07-20
    Description: A pseudosymmetric description of the crystal lattice derived from a single wide‐angle Kikuchi pattern can have several causes. The small size (〈15%) of the sector covered by an electron backscatter diffraction pattern, the limited precision of the projection centre position and the Kikuchi band definition are crucial. Inherent pseudosymmetries of the crystal lattice and/or structure also pose a challenge in the analysis of Kikuchi patterns. To eliminate experimental errors as much as possible, simulated Kikuchi patterns of 350 phases have been analysed using the software CALM [Nolze et al. (2021). J. Appl. Cryst.54, 1012–1022] in order to estimate the frequency of and reasons for pseudosymmetric crystal lattice descriptions. Misinterpretations occur in particular when the atomic scattering factors of non‐equivalent positions are too similar and reciprocal‐lattice points are systematically missing. As an example, a pseudosymmetry prediction depending on the elements involved is discussed for binary AB compounds with B1 and B2 structure types. However, since this is impossible for more complicated phases, this approach cannot be directly applied to compounds of arbitrary composition and structure.
    Description: Distinguishing between actual and apparent pseudosymmetry in electron backscatter diffraction patterns is nearly impossible, even for simulated patterns. However, the resulting lattice is always a superlattice as long as the signal is not a superposition of multiple patterns.
    Keywords: ddc:548 ; Bravais lattices ; pseudosymmetry ; lattice point density ; ordered/disordered structures ; lattice distortion ; electron backscatter diffraction ; backscattered Kikuchi diffraction patterns ; lattice parameters ; Funk transform
    Language: English
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  • 16
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    Combining reverse Monte Carlo analysis of X‐ray scattering and extended X‐ray absorption fine structure spectra of very small nanoparticles (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-07-21
    Description: Finite size effects in partial pair distribution functions generate artefacts in the scattering structure factor and scattering intensity. It is shown how they can be overcome using a binned version of the Debye scattering equation. Accordingly, reverse Monte Carlo simulations are used for very small nanoparticles of LaFeO3 with diameters below 10 nm to simultaneously analyse X‐ray scattering data and extended X‐ray absorption fine structure spectra at the La K and Fe K edges. The structural information obtained is consistent regarding local structure and long‐range order.
    Description: Computing scattering intensity using the Debye scattering equation after binning interatomic distances avoids finite size artefacts and is efficient enough for simultaneous refinement of scattering data and extended X‐ray absorption spectra by reverse Monte Carlo simulations.
    Keywords: ddc:548 ; extended X‐ray absorption fine structure ; EXAFS ; wide‐angle X‐ray scattering ; WAXS ; reverse Monte Carlo ; RMC ; nanocrystals ; LaFeO3
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  • 17
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    Use of electron backscatter diffraction patterns to determine the crystal lattice. Part 2. Offset corrections (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
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    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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  • 18
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    POWTEX visits POWGEN (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-07-21
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉The high‐intensity time‐of‐flight (TOF) neutron diffractometer POWTEX for powder and texture analysis is currently being built prior to operation in the eastern guide hall of the research reactor FRM II at Garching close to Munich, Germany. Because of the world‐wide 〈sup〉3〈/sup〉He crisis in 2009, the authors promptly initiated the development of 〈sup〉3〈/sup〉He‐free detector alternatives that are tailor‐made for the requirements of large‐area diffractometers. Herein is reported the 2017 enterprise to operate one mounting unit of the final POWTEX detector on the neutron powder diffractometer POWGEN at the Spallation Neutron Source located at Oak Ridge National Laboratory, USA. As a result, presented here are the first angular‐ and wavelength‐dependent data from the POWTEX detector, unfortunately damaged by a 50〈italic〉g〈/italic〉 shock but still operating, as well as the efforts made both to characterize the transport damage and to successfully recalibrate the voxel positions in order to yield nonetheless reliable measurements. Also described is the current data reduction process using the 〈italic〉PowderReduceP2D〈/italic〉 algorithm implemented in 〈italic〉Mantid〈/italic〉 [Arnold 〈italic〉et al.〈/italic〉 (2014). 〈italic〉Nucl. Instrum. Methods Phys. Res. A〈/italic〉, 〈bold〉764〈/bold〉, 156–166]. The final part of the data treatment chain, namely a novel multi‐dimensional refinement using a modified version of the 〈italic〉GSAS‐II〈/italic〉 software suite [〈ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/paper?aj5212"〉Toby & Von Dreele (2013). 〈italic〉J. Appl. Cryst.〈/italic〉〈bold〉46〈/bold〉, 544–549〈/ext-link〉], is compared with a standard data treatment of the same event data conventionally reduced as TOF diffraction patterns and refined with the unmodified version of 〈italic〉GSAS‐II〈/italic〉. This involves both determining the instrumental resolution parameters using POWGEN's powdered diamond standard sample and the refinement of a friendly‐user sample, BaZn(NCN)〈sub〉2〈/sub〉. Although each structural parameter on its own looks similar upon comparing the conventional (1D) and multi‐dimensional (2D) treatments, also in terms of precision, a closer view shows small but possibly significant differences. For example, the somewhat suspicious proximity of the 〈italic〉a〈/italic〉 and 〈italic〉b〈/italic〉 lattice parameters of BaZn(NCN)〈sub〉2〈/sub〉 crystallizing in 〈italic〉Pbca〈/italic〉 as resulting from the 1D refinement (0.008 Å) is five times less pronounced in the 2D refinement (0.038 Å). Similar features are found when comparing bond lengths and bond angles, 〈italic〉e.g.〈/italic〉 the two N—C—N units are less differently bent in the 1D results (173 and 175°) than in the 2D results (167 and 173°). The results are of importance not only for POWTEX but also for other neutron TOF diffractometers with large‐area detectors, like POWGEN at the SNS or the future DREAM beamline at the European Spallation Source.〈/p〉
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉The first real‐world neutron diffraction data have been collected with one of the POWTEX detectors (FRM II, Garching, Germany) mounted for testing at the Spallation Neutron Source (Oak Ridge National Laboratory, USA). They allow for angular‐ and wavelength‐dispersive Rietveld refinement using a modified version of 〈italic〉GSAS‐II〈/italic〉.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005767:jcr2tu5033:jcr2tu5033-fig-0001"〉 〈/graphic〉〈/boxed-text〉〈/p〉
    Keywords: ddc:548 ; neutron detectors ; POWGEN beamline ; POWTEX detector ; DREAM beamline ; time‐of‐flight diffraction ; angular‐dispersive refinement ; wavelength‐dispersive refinement ; powder diffraction ; Rietveld refinement ; multi‐dimensional refinement
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  • 19
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    A note on the wedge reversion antisymmetry operation and 51 types of physical quantities in arbitrary dimensions (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-07-21
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉The paper by Gopalan [〈ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/paper?ib5086"〉(2020). 〈italic〉Acta Cryst.〈/italic〉 A〈bold〉76〈/bold〉, 318–327〈/ext-link〉] presented an enumeration of the 41 physical quantity types in non‐relativistic physics, in arbitrary dimensions, based on the formalism of Clifford algebra. Gopalan considered three antisymmetries: spatial inversion, 〈overline〉1〈/overline〉, time reversal, 1′, and wedge reversion, 1〈sup〉†〈/sup〉. A consideration of the set of all seven antisymmetries (〈overline〉1〈/overline〉, 1′, 1〈sup〉†〈/sup〉, 1′〈sup〉†〈/sup〉, 〈overline〉1〈/overline〉〈sup〉†〈/sup〉, 〈overline〉1〈/overline〉′, 〈overline〉1〈/overline〉′〈sup〉†〈/sup〉) leads to an extension of the results obtained by Gopalan. It is shown that there are 51 types of physical quantities with distinct symmetry properties in total.〈/p〉
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉It is shown that there are 51 types of physical quantities in arbitrary dimensions with distinct transformations by wedge reversion symmetry. In the paper by 〈ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/paper?ib5086"〉Gopalan [(2020). 〈italic〉Acta Cryst.〈/italic〉 A〈bold〉76〈/bold〉, 318–327]〈/ext-link〉 only 41 types were enumerated.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:20532733:aya2ib5117:aya2ib5117-fig-0001"〉 〈alt-text〉image〈/alt-text〉 〈/graphic〉〈/boxed-text〉〈/p〉
    Keywords: ddc:548 ; multivectors ; wedge reversion ; antisymmetry ; Clifford algebra
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  • 20
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    Use of electron backscatter diffraction patterns to determine the crystal lattice. Part 1. Where is the Bragg angle? (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-07-19
    Description: The derivation of a crystal structure and its phase‐specific parameters from a single wide‐angle backscattered Kikuchi diffraction pattern requires reliable extraction of the Bragg angles. By means of the first derivative of the lattice profile, an attempt is made to determine fully automatically and reproducibly the band widths in simulated Kikuchi patterns. Even under such ideal conditions (projection centre, wavelength and lattice plane traces are perfectly known), this leads to a lattice parameter distribution whose mean shows a linear offset that correlates with the mean atomic number Z of the pattern‐forming phase. The consideration of as many Kikuchi bands as possible reduces the errors that typically occur if only a single band is analysed. On the other hand, the width of the resulting distribution is such that higher image resolution of diffraction patterns, employing longer wavelengths to produce wider bands or the use of higher interference orders is less advantageous than commonly assumed.
    Description: The lattice parameters of more than 350 phases have been determined from simulated backscatter Kikuchi patterns. The deviations correlating with the mean atomic number correspond to those observed previously for experimental electron backscatter diffraction patterns.
    Keywords: ddc:548 ; Bragg angles ; Kikuchi bands ; Kikuchi patterns ; first derivative ; lattice parameters ; lattice parameter determination ; Bravais lattice type ; electron backscatter diffraction ; Radon transform
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  • 21
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    Data reduction for X‐ray serial crystallography using machine learning (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    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
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  • 22
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    Towards joint in situ determination of pressure and temperature in the large volume press exclusively from X‐ray diffraction (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
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    Publication Date: 2023-07-19
    Description: Since high‐pressure devices have been used at synchrotron facilities, accurate determination of pressure and temperature in the sample has been a crucial objective, particularly for experiments that simulate the Earth's interior. However, in some cases using a thermocouple may have a high likelihood of failure or is incompatible with a high‐pressure assembly. To address these challenges and similar issues, we aim to expand a previously proposed solution: to jointly estimate pressure and temperature (〈italic〉PT〈/italic〉) through 〈italic〉in situ〈/italic〉 X‐ray diffraction, to cover a wider range of internal 〈italic〉PT〈/italic〉 calibrants tested over larger 〈italic〉PT〈/italic〉 ranges. A modifiable Python‐based software is offered to quickly obtain results. To achieve these aims, 〈italic〉in situ〈/italic〉 large volume press experiments are performed on pellets of intimately mixed powders of a halide (NaCl, KCl, KBr, CsCl) or MgO and a metal (Pt, Re, Mo, W, Ni) in the pressure range 3–11 GPa and temperature range 300–1800 K. Although the pressure range was chosen for practical reasons, it also covers an equally important depth range in the Earth (down to 350 km) for geoscience studies. A thermocouple was used to validate the 〈italic〉PT〈/italic〉 conditions in the cell assemblies. The key results show that choosing the appropriate calibrant materials and using a joint 〈italic〉PT〈/italic〉 estimation can yield surprisingly small uncertainties (〈italic〉i.e.〈/italic〉 〈±0.1 GPa and 〈±50 K). This development is expected to benefit current and future research at extreme conditions, as other materials with high compressibility or high thermal pressure, stable over large 〈italic〉PT〈/italic〉 ranges, may be discovered and used as 〈italic〉PT〈/italic〉 calibrants.〈/p〉
    Description: Research in high‐pressure devices, such as the diamond anvil cell and the large volume press, requires knowledge of the pressure and temperature in the sample. Here, a large volume press and an internal resistive heater were used to generate high load and heat to various combinations of intimately mixed powders of materials. X‐ray diffraction and custom software were used to jointly estimate the pressures and temperatures in the samples and establish calibrants for 〈italic〉in situ〈/italic〉 experiments at extreme conditions.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005775:jsy2vl5008:jsy2vl5008-fig-0001"〉
    Description: https://gitlab.desy.de/robert.farla/eoscross
    Keywords: ddc:548 ; equations of state ; X‐ray diffraction ; large volume press ; high pressure ; resistive heating
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  • 23
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    Potential erodibility of semi‐arid steppe soils derived from aggregate stability tests (2022)
    Koza, Moritz ; Pöhlitz, Julia ; Prays, Aleksey ; [et al.]
    Blackwell Publishing Ltd | Oxford, UK
    Details
    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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  • 24
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    X‐ray diffraction with micrometre spatial resolution for highly absorbing samples (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-01-21
    Description: X‐ray diffraction with high spatial resolution is commonly used to characterize (poly)crystalline samples with, for example, respect to local strain, residual stress, grain boundaries and texture. However, the investigation of highly absorbing samples or the simultaneous assessment of high‐Z materials by X‐ray fluorescence have been limited due to the utilization of low photon energies. Here, a goniometer‐based setup implemented at the P06 beamline of PETRA III that allows for micrometre spatial resolution with a photon energy of 35 keV and above is reported. A highly focused beam was achieved by using compound refractive lenses, and high‐precision sample manipulation was enabled by a goniometer that allows up to 5D scans (three rotations and two translations). As experimental examples, the determination of local strain variations in martensitic steel samples with micrometre spatial resolution, as well as the simultaneous elemental distribution for high‐Z materials in a thin‐film solar cell, are demonstrated. The proposed approach allows users from the materials‐science community to determine micro‐structural properties even in highly absorbing samples.
    Description: A demonstration of high‐resolution micro X‐ray diffraction at high photon energies for highly absorbing samples.
    Keywords: ddc:548 ; X‐ray diffraction ; high spatial resolution ; high photon energy ; X‐ray fluorescence ; goniometers
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  • 25
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    Vertical SOC distribution and aromatic carbon in centuries old charcoal‐rich Technosols (2022)
    Bonhage, Alexander ; Raab, Thomas ; Schneider, Anna ; [et al.]
    Blackwell Publishing Ltd | Oxford, UK
    Details
    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
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  • 26
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    Domain Auto Finder (DAFi) program: the analysis of single‐crystal X‐ray diffraction data from polycrystalline samples (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-01-21
    Description: This paper presents the Domain Auto Finder (DAFi) program and its application to the analysis of single‐crystal X‐ray diffraction (SC‐XRD) data from multiphase mixtures of microcrystalline solids and powders. Superposition of numerous reflections originating from a large number of single‐crystal domains of the same and/or different (especially unknown) phases usually precludes the sorting of reflections coming from individual domains, making their automatic indexing impossible. The DAFi algorithm is designed to quickly find subsets of reflections from individual domains in a whole set of SC‐XRD data. Further indexing of all found subsets can be easily performed using widely accessible crystallographic packages. As the algorithm neither requires a priori crystallographic information nor is limited by the number of phases or individual domains, DAFi is powerful software to be used for studies of multiphase polycrystalline and microcrystalline (powder) materials. The algorithm is validated by testing on X‐ray diffraction data sets obtained from real samples: a multi‐mineral basalt rock at ambient conditions and products of the chemical reaction of yttrium and nitrogen in a laser‐heated diamond anvil cell at 50 GPa. The high performance of the DAFi algorithm means it can be used for processing SC‐XRD data online during experiments at synchrotron facilities.
    Description: This paper presents the Domain Auto Finder (DAFi) program and its application to the analysis of single‐crystal X‐ray diffraction (SC‐XRD) data from multiphase mixtures of microcrystalline solids and powders. The DAFi algorithm is designed to quickly find subsets of reflections from individual domains in a whole set of SC‐XRD data and neither requires a priori crystallographic information nor is limited by the number of phases or individual domains.
    Keywords: ddc:548 ; single‐crystal domain auto finder ; DAFi ; single‐crystal X‐ray diffraction ; polycrystalline samples ; multiphase mixtures
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  • 27
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    High‐resolution XEOL spectroscopy setup at the X‐ray absorption spectroscopy beamline P65 of PETRA III (2022)
    Levcenko, S. ; Biller, R. ; Pfeiffelmann, T. ; [et al.]
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-01-25
    Description: A newly designed setup to perform steady‐state X‐ray excited optical luminescence (XEOL) spectroscopy and simultaneous XEOL and X‐ray absorption spectroscopy characterization at beamline P65 of PETRA III is described. The XEOL setup is equipped with a He‐flow cryostat and state‐of‐the‐art optical detection system, which covers a wide wavelength range of 300–1700 nm with a high spectral resolution of 0.4 nm. To demonstrate the setup functioning, low‐temperature XEOL studies on polycrystalline CuInSe2 thin film, single‐crystalline GaN thin film and single‐crystalline ZnO bulk semiconductor samples are performed.
    Description: X‐ray excited optical luminescence (XEOL) spectroscopy is increasingly important to understand the interplay between the optical properties, structure and chemical composition, providing insights into the mechanism of radiative recombination for a wide range of materials. This study demonstrates a newly implemented setup to perform steady‐state XEOL and simultaneous XEOL and XAFS characterizations at beamline P65 of PETRA III.
    Keywords: ddc:550.2 ; XEOL ; XAS ; CuInSe2 ; ZnO ; GaN
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  • 28
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    Defining Hydrogeological Site Similarity with Hierarchical Agglomerative Clustering (2022)
    Blackwell Publishing Ltd | Malden, US
    Details
    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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  • 29
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    Hard X‐ray full‐field nanoimaging using a direct photon‐counting detector (2023)
    Flenner, Silja ; Hagemann, Johannes ; Wittwer, Felix ; [et al.]
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2024-03-05
    Description: Full‐field X‐ray nanoimaging is a widely used tool in a broad range of scientific areas. In particular, for low‐absorbing biological or medical samples, phase contrast methods have to be considered. Three well established phase contrast methods at the nanoscale are transmission X‐ray microscopy with Zernike phase contrast, near‐field holography and near‐field ptychography. The high spatial resolution, however, often comes with the drawback of a lower signal‐to‐noise ratio and significantly longer scan times, compared with microimaging. In order to tackle these challenges a single‐photon‐counting detector has been implemented at the nanoimaging endstation of the beamline P05 at PETRA III (DESY, Hamburg) operated by Helmholtz‐Zentrum Hereon. Thanks to the long sample‐to‐detector distance available, spatial resolutions of below 100 nm were reached in all three presented nanoimaging techniques. This work shows that a single‐photon‐counting detector in combination with a long sample‐to‐detector distance allows one to increase the time resolution for in situ nanoimaging, while keeping a high signal‐to‐noise level.
    Description: A direct photon‐counting detector was used for different nanoimaging phase contrast techniques, increasing the temporal resolution.
    Keywords: ddc:548 ; nanotomography ; full‐field X‐ray microscopy ; near‐field holography ; near‐field ptychography ; Zernike phase contrast ; single‐photon‐counting detector ; phase contrast
    Language: English
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    Automatic bad‐pixel mask maker for X‐ray pixel detectors with application to serial crystallography (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2024-02-14
    Description: X‐ray crystallography has witnessed a massive development over the past decade, driven by large increases in the intensity and brightness of X‐ray sources and enabled by employing high‐frame‐rate X‐ray detectors. The analysis of large data sets is done via automatic algorithms that are vulnerable to imperfections in the detector and noise inherent with the detection process. By improving the model of the behaviour of the detector, data can be analysed more reliably and data storage costs can be significantly reduced. One major requirement is a software mask that identifies defective pixels in diffraction frames. This paper introduces a methodology and program based upon concepts of machine learning, called robust mask maker (RMM), for the generation of bad‐pixel masks for large‐area X‐ray pixel detectors based on modern robust statistics. It is proposed to discriminate normally behaving pixels from abnormal pixels by analysing routine measurements made with and without X‐ray illumination. Analysis software typically uses a Bragg peak finder to detect Bragg peaks and an indexing method to detect crystal lattices among those peaks. Without proper masking of the bad pixels, peak finding methods often confuse the abnormal values of bad pixels in a pattern with true Bragg peaks and flag such patterns as useful regardless, leading to storage of enormous uninformative data sets. Also, it is computationally very expensive for indexing methods to search for crystal lattices among false peaks and the solution may be biased. This paper shows how RMM vastly improves peak finders and prevents them from labelling bad pixels as Bragg peaks, by demonstrating its effectiveness on several serial crystallography data sets.
    Description: Attention is focused on perhaps the biggest bottleneck in data analysis for serial crystallography at X‐ray free‐electron lasers, which has not received serious enough examination to date. An effective and reliable way is presented to identify anomalies in detectors, using machine learning and recently developed mathematical methods in the field referred to as `robust statistics'. image
    Keywords: ddc:548 ; bad‐pixel masks ; robust mask maker ; machine learning ; robust statistics ; serial crystallography
    Language: English
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    Machine learning for scattering data: strategies, perspectives and applications to surface scattering (2023)
    Hinderhofer, Alexander ; Greco, Alessandro ; Starostin, Vladimir ; [et al.]
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2024-02-14
    Description: Machine learning (ML) has received enormous attention in science and beyond. Discussed here are the status, opportunities, challenges and limitations of ML as applied to X‐ray and neutron scattering techniques, with an emphasis on surface scattering. Typical strategies are outlined, as well as possible pitfalls. Applications to reflectometry and grazing‐incidence scattering are critically discussed. Comment is also given on the availability of training and test data for ML applications, such as neural networks, and a large reflectivity data set is provided as reference data for the community.
    Description: The status, opportunities, challenges and limitations of machine learning are discussed as applied to X‐ray and neutron scattering techniques, with an emphasis on surface scattering.
    Keywords: ddc:548 ; surface scattering ; X‐ray diffraction ; neutron scattering ; machine learning ; data analysis
    Language: English
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    Beam‐induced redox chemistry in iron oxide nanoparticle dispersions at ESRF–EBS (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2024-02-21
    Description: The storage ring upgrade of the European Synchrotron Radiation Facility makes ESRF–EBS the most brilliant high‐energy fourth‐generation light source, enabling in situ studies with unprecedented time resolution. While radiation damage is commonly associated with degradation of organic matter such as ionic liquids or polymers in the synchrotron beam, this study clearly shows that highly brilliant X‐ray beams readily induce structural changes and beam damage in inorganic matter, too. Here, the reduction of Fe3+ to Fe2+ in iron oxide nanoparticles by radicals in the brilliant ESRF–EBS beam, not observed before the upgrade, is reported. Radicals are created due to radiolysis of an EtOH–H2O mixture with low EtOH concentration (∼6 vol%). In light of extended irradiation times during insitu experiments in, for example, battery and catalysis research, beam‐induced redox chemistry needs to be understood for proper interpretation of insitu data.
    Description: With the increased brilliance at the European Research Facility–Extremely Brilliant Source (ESRF–EBS), a beam‐induced reduction of non‐stochiometric iron oxide nanoparticles (almost maghemite composition) to magnetite was observed in a mixture of ethanol and water with low ethanol concentration.
    Keywords: ddc:548 ; beam‐induced radiolysis ; radiation damage on inorganic materials ; ESRF–EBS
    Language: English
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    Updates in SASfit for fitting analytical expressions and numerical models to small‐angle scattering patterns (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2024-02-22
    Description: Small‐angle scattering is an increasingly common method for characterizing particle ensembles in a wide variety of sample types and for diverse areas of application. SASfit has been one of the most comprehensive and flexible curve‐fitting programs for decades, with many specialized tools for various fields. Here, a selection of enhancements and additions to the SASfit program are presented that may be of great benefit to interested and advanced users alike: (a) further development of the technical basis of the program, such as new numerical algorithms currently in use, a continuous integration practice for automated building and packaging of the software, and upgrades on the plug‐in system for easier adoption by third‐party developers; (b) a selection of new form factors for anisotropic scattering patterns and updates to existing form factors to account for multiple scattering effects; (c) a new type of a very flexible distribution called metalog [Keelin (2016). Decis. Anal.13, 243–277], and regularization techniques such as the expectation‐maximization method [Dempster et al. (1977). J. R. Stat. Soc. Ser. B (Methodological), 39, 1–22; Richardson (1972) J. Opt. Soc. Am.62, 55; Lucy (1974). Astron. J.79, 745; Lucy (1994). Astron. Astrophys.289, 983–994], which is compared with fits of analytical size distributions via the non‐linear least‐squares method; and (d) new structure factors, especially for ordered nano‐ and meso‐scaled material systems, as well as the Ornstein–Zernike solver for numerical determination of particle interactions and the resulting structure factor when no analytical solution is available, with the aim of incorporating its effects into the small‐angle scattering intensity model used for fitting with SASfit.
    Description: Recent enhancements and additions to the SASfit program are discussed, including anisotropic scattering models, flexible distributions, regularization techniques such as the expectation‐maximization method, and new structure factors, especially for ordered nano‐ and meso‐scaled material. The Ornstein–Zernike solver for numerical structure factors is also introduced. image
    Keywords: ddc:548 ; small‐angle scattering ; SASfit ; numerical models ; structure factors ; form factors ; regularization techniques
    Language: English
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    Toward an adequate level of detail in flood risk assessments (2023)
    Blackwell Publishing Ltd | Oxford, UK
    Details
    Publication Date: 2024-01-24
    Description: 〈title xmlns:mml="http://www.w3.org/1998/Math/MathML"〉Abstract〈/title〉〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉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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    Small lateral air pressure gradients generated by a large chamber system have a strong effect on CO2 transport in soil (2023)
    Blackwell Publishing Ltd | Oxford, UK
    Details
    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
    Language: English
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    Extending MIEZE spectroscopy towards thermal wavelengths (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2024-02-05
    Description: A modulation of intensity with zero effort (MIEZE) setup is proposed for high‐resolution neutron spectroscopy at momentum transfers up to 3 Å〈sup〉−1〈/sup〉, energy transfers up to 20 meV and an energy resolution in the microelectronvolt range using both thermal and cold neutrons. MIEZE has two prominent advantages compared with classical neutron spin echo. The first is the possibility to investigate spin‐depolarizing samples or samples in strong magnetic fields without loss of signal amplitude and intensity. This allows for the study of spin fluctuations in ferromagnets, and facilitates the study of samples with strong spin‐incoherent scattering. The second advantage is that multi‐analyzer setups can be implemented with comparatively little effort. The use of thermal neutrons increases the range of validity of the spin‐echo approximation towards shorter spin‐echo times. In turn, the thermal MIEZE option for greater ranges (TIGER) closes the gap between classical neutron spin‐echo spectroscopy and conventional high‐resolution neutron spectroscopy techniques such as triple‐axis, time‐of‐flight and back‐scattering. To illustrate the feasibility of TIGER, this paper presents the details of its implementation at the RESEDA beamline at FRM II by means of an additional velocity selector, polarizer and analyzer.
    Description: A modulation of intensity with zero effort (MIEZE) setup is proposed for high‐resolution neutron spectroscopy at momentum transfers up to 3 Å〈sup〉−1〈/sup〉, energy transfers up to 20 meV and an energy resolution in the microelectronvolt range using both thermal and cold neutrons.
    Keywords: ddc:548 ; neutron resonant spin echo ; MIEZE ; quasielastic scattering ; thermal neutrons
    Language: English
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    Extreme conditions research using the large‐volume press at the P61B endstation, PETRA III (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2024-02-05
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉Penetrating, high‐energy synchrotron X‐rays are in strong demand, particularly for high‐pressure research in physics, chemistry and geosciences, and for materials engineering research under less extreme conditions. A new high‐energy wiggler beamline P61 has been constructed to meet this need at PETRA III in Hamburg, Germany. The first part of the paper offers an overview of the beamline front‐end components and beam characteristics. The second part describes the performance of the instrumentation and the latest developments at the P61B endstation. Particular attention is given to the unprecedented high‐energy photon flux delivered by the ten wigglers of the PETRA III storage ring and the challenges faced in harnessing this amount of flux and heat load in the beam. Furthermore, the distinctiveness of the world's first six‐ram Hall‐type large‐volume press, Aster‐15, at a synchrotron facility is described for research with synchrotron X‐rays. Additionally, detection schemes, experimental strategies and preliminary data acquired using energy‐dispersive X‐ray diffraction and radiography techniques are presented.〈/p〉
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉The operation of the P61B endstation large‐volume press and optics of P61 are reviewed. The instrumentation at P61B, including the large‐volume press, detection systems and data acquisition for 〈italic〉in situ〈/italic〉 high‐pressure experiments are described.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005775:jsy2ju5040:jsy2ju5040-fig-0001"〉 〈/graphic〉〈/boxed-text〉〈/p〉
    Keywords: ddc:550.724 ; extreme conditions ; high‐pressure ; large‐volume press ; energy‐dispersive X‐ray diffraction ; radiography ; resistive heating ; ultrasonic interferometry ; acoustic emissions detection
    Language: English
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    Redoxtrons – An experimental system to study redox processes within the capillary fringe (2023)
    Blackwell Publishing Ltd | Oxford, UK
    Details
    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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    The dilemma of analytical method changes for soil organic carbon in long‐term experiments (2023)
    Blackwell Publishing Ltd | Oxford, UK
    Details
    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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    Quantifying electron cascade size in various irradiated materials for free‐electron laser applications (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-12-12
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉Studying electron‐ and X‐ray‐induced electron cascades in solids is essential for various research areas at free‐electron laser facilities, such as X‐ray imaging, crystallography, pulse diagnostics or X‐ray‐induced damage. To better understand the fundamental factors that define the duration and spatial size of such cascades, this work investigates the electron propagation in ten solids relevant for the applications of X‐ray lasers: Au, B〈sub〉4〈/sub〉C, diamond, Ni, polystyrene, Ru, Si, SiC, Si〈sub〉3〈/sub〉N〈sub〉4〈/sub〉 and W. Using classical Monte Carlo simulation in the atomic approximation, we study the dependence of the cascade size on the incident electron or photon energy and on the target parameters. The results show that an electron‐induced cascade is systematically larger than a photon‐induced cascade. Moreover, in contrast with the common assumption, the maximal cascade size does not necessarily coincide with the electron range. It was found that the cascade size can be controlled by careful selection of the photon energy for a particular material. Photon energy, just above an ionization potential, can essentially split the absorbed energy between two electrons (photo‐ and Auger), reducing their initial energy and thus shrinking the cascade size. This analysis suggests a way of tailoring the electron cascades for applications requiring either small cascades with a high density of excited electrons or large‐spread cascades with lower electron densities.〈/p〉
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉Studying electron‐ and X‐ray‐induced electron cascades in solids is essential for various research areas at free‐electron laser facilities, such as X‐ray imaging, crystallography, pulse diagnostics or X‐ray‐induced damage. To better understand the fundamental factors that define the duration and spatial size of such cascades, this work investigates the electron propagation in ten solids relevant for the applications of X‐ray lasers. Using classical Monte Carlo simulation in the atomic approximation, the dependence of the cascade size on the incident electron or photon energy and on the target parameters is studied.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005775:jsy2gb5123:jsy2gb5123-fig-0001"〉 〈/graphic〉〈/boxed-text〉〈/p〉
    Keywords: ddc:548 ; electron cascades ; X‐ray free‐electron lasers ; Monte Carlo ; photon‐induced cascade ; electron transport
    Language: English
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    Optimised use of data fusion and memory‐based learning with an Austrian soil library for predictions with infrared data (2023)
    Blackwell Publishing Ltd | Oxford, UK
    Details
    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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  • 42
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    Mapping the 3D position of battery cathode particles in Bragg coherent diffractive imaging (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-12-14
    Description: In Bragg coherent diffractive imaging, the precise location of the measured crystals in the interior of the sample is usually missing. Obtaining this information would help the study of the spatially dependent behavior of particles in the bulk of inhomogeneous samples, such as extra‐thick battery cathodes. This work presents an approach to determine the 3D position of particles by precisely aligning them at the instrument axis of rotation. In the test experiment reported here, with a 60 µm‐thick LiNi0.5Mn1.5O4 battery cathode, the particles were located with a precision of 20 µm in the out‐of‐plane direction, and the in‐plane coordinates were determined with a precision of 1 µm.
    Description: A method to determine the 3D position of particles in Bragg coherent diffractive imaging experiments is proposed. Test measurements demonstrate depth‐resolution with a precision of 20 µm along the beam. image
    Keywords: ddc:548 ; extra‐thick battery cathodes ; Bragg coherent X‐ray diffractive imaging ; battery cathodes ; Bragg diffraction ; sphere of confusion ; 3D mapping
    Language: English
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  • 43
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    Importance of catchment hydrological processes and calibration of hydrological‐hydrodynamic rainfall‐runoff models in small rural catchments (2023)
    Blackwell Publishing Ltd | Oxford, UK
    Details
    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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  • 44
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    The soft X‐ray and XUV split‐and‐delay unit at beamlines FL23/24 at FLASH2 (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2024-01-12
    Description: A split‐and‐delay unit for the extreme ultraviolet and soft X‐ray spectral regions has been built which enables time‐resolved experiments at beamlines FL23 and FL24 at the Free‐electron LASer in Hamburg (FLASH). Geometric wavefront splitting at a sharp edge of a beam splitting mirror is applied to split the incoming soft X‐ray pulse into two beams. Ni and Pt coatings at grazing incidence angles have been chosen in order to cover the whole spectral range of FLASH2 and beyond, up to hν = 1800 eV. In the variable beam path with a grazing incidence angle of ϑd = 1.8°, the total transmission (T) ranges are of the order of 0.48 〈 T 〈 0.84 for hν 〈 100 eV and T 〉 0.50 for 100 eV 〈 hν 〈 650 eV with the Ni coating, and T 〉 0.06 for hν 〈 1800 eV for the Pt coating. For a fixed beam path with a grazing incidence angle of ϑf = 1.3°, a transmission of T 〉 0.61 with the Ni coating and T 〉 0.23 with a Pt coating is achieved. Soft X‐ray pump/soft X‐ray probe experiments are possible within a delay range of −5 ps 〈 Δt 〈 +18 ps with a nominal time resolution of tr = 66 as and a measured timing jitter of tj = 121 ± 2 as. First experiments with the split‐and‐delay unit determined the averaged coherence time of FLASH2 to be τc = 1.75 fs at λ = 8 nm, measured at a purposely reduced coherence of the free‐electron laser.
    Description: The properties of the recently installed split‐and‐delay unit at beamlines FL23 and FL24 at FLASH2 are presented. Its operational range, performance parameters and results of a first experiment are described. image
    Keywords: ddc:550.724 ; time‐resolved pump–probe ; XUV ; soft X‐rays ; free‐electron laser
    Language: English
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  • 45
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    XDSGUI: a graphical user interface for XDS, SHELX and ARCIMBOLDO (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2024-01-12
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉〈italic〉XDSGUI〈/italic〉 is a lightweight graphical user interface (GUI) for the 〈italic〉XDS〈/italic〉, 〈italic〉SHELX〈/italic〉 and 〈italic〉ARCIMBOLDO〈/italic〉 program packages that serves both novice and experienced users in obtaining optimal processing and phasing results for X‐ray, neutron and electron diffraction data. The design of the program enables data processing and phasing without command line usage, and supports advanced command flows in a simple user‐modifiable and user‐extensible way. The GUI supplies graphical information based on the tabular log output of the programs, which is more intuitive, comprehensible and efficient than text output can be.〈/p〉
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉A customizable stateless graphical user interface simplifies the processing, analysis and phasing of diffraction data.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005767:jcr2yr5110:jcr2yr5110-fig-0001"〉 〈alt-text〉image〈/alt-text〉 〈/graphic〉〈/boxed-text〉〈/p〉
    Keywords: ddc:548 ; X‐ray diffraction ; neutron diffraction ; electron diffraction ; data processing ; graphical user interfaces ; phasing ; XDS ; ARCIMBOLDO ; SHELX
    Language: English
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  • 46
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    INSIGHT: in situ heuristic tool for the efficient reduction of grazing‐incidence X‐ray scattering data (2024)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2024-04-25
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉〈italic〉INSIGHT〈/italic〉 is a Python‐based software tool for processing and reducing 2D grazing‐incidence wide‐ and small‐angle X‐ray scattering (GIWAXS/GISAXS) data. It offers the geometric transformation of the 2D GIWAXS/GISAXS detector image to reciprocal space, including vectorized and parallelized pixel‐wise intensity correction calculations. An explicit focus on efficient data management and batch processing enables full control of large time‐resolved synchrotron and laboratory data sets for a detailed analysis of kinetic GIWAXS/GISAXS studies of thin films. It processes data acquired with arbitrarily rotated detectors and performs vertical, horizontal, azimuthal and radial cuts in reciprocal space. It further allows crystallographic indexing and GIWAXS pattern simulation, and provides various plotting and export functionalities. Customized scripting offers a one‐step solution to reduce, process, analyze and export findings of large 〈italic〉in situ〈/italic〉 and 〈italic〉operando〈/italic〉 data sets.〈/p〉
    Keywords: ddc:548 ; grazing‐incidence X‐ray scattering ; time‐resolved studies ; in situ studies ; operando studies ; computer programs
    Language: English
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  • 47
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    BODIUM—A systemic approach to model the dynamics of soil functions (2023)
    Blackwell Publishing Ltd | Oxford, UK
    Details
    Publication Date: 2024-01-26
    Description: 〈title xmlns:mml="http://www.w3.org/1998/Math/MathML"〉Abstract〈/title〉〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉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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  • 48
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    The PERCIVAL detector: first user experiments (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2024-03-13
    Description: The PERCIVAL detector is a CMOS imager designed for the soft X‐ray regime at photon sources. Although still in its final development phase, it has recently seen its first user experiments: ptychography at a free‐electron laser, holographic imaging at a storage ring and preliminary tests on X‐ray photon correlation spectroscopy. The detector performed remarkably well in terms of spatial resolution achievable in the sample plane, owing to its small pixel size, large active area and very large dynamic range; but also in terms of its frame rate, which is significantly faster than traditional CCDs. In particular, it is the combination of these features which makes PERCIVAL an attractive option for soft X‐ray science.
    Keywords: ddc:548 ; X‐ray detectors ; soft X‐rays ; ptychography ; holographic imaging ; XPCS ; detectors
    Language: English
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  • 49
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    Temperature and soil moisture change microbial allocation of pesticide‐derived carbon (2023)
    Blackwell Publishing Ltd | Oxford, UK
    Details
    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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  • 50
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    Reducing tillage intensity benefits the soil micro‐ and mesofauna in a global meta‐analysis (2022)
    Blackwell Publishing Ltd | Oxford, UK
    Details
    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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  • 51
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    Fifty years after deep‐ploughing: Effects on yield, roots, nutrient stocks and soil structure (2023)
    Blackwell Publishing Ltd | Oxford, UK
    Details
    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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  • 52
    Electronic Resource
    Electronic Resource
    Mass transfer and preferred orientation development during extensional microcracking in slate-belt folds, Elura Mine, Australia (1989)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 7 (1989), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Microstructures in slate belt rocks at the Elura Mine, near Cobar, south-eastern Australia, indicate that volume loss by syntectonic dissolution is coupled with mass accretion by reprecipitation of the dissolved material in dilational sites. The mass accretion is sustained primarily by repetitive tensile microfracturing at high pore-fluid pressures. Oriented growth in the inter- and intragranular microcracks is locally host-controlled, creating lattice- and shape-preferred orientations. The grain-scale crack-seal features throughout the rock reflect rhythmic fluid pressure fluctuations; a balance is achieved between the fracture-induced permeability (and consequent flushing rates), and the rate of fluid build-up in a relatively sealed environment.Instability in the balancing factors can lead to localization and intensification of tensile failure (and hence, tension vein formation) in the grain aggregate. Growth of veins by crack-seal also reflects a steady state, but with more localized fluctuations of fluid flow on the aggregate scale. Still larger imbalances between flushing and fluid accumulation (i.e. pressure variations) induce breccia veining. The larger pressure gradients over greater distances, associated with dilation localization (from pervasive microfracturing to spaced breccia domains), allow fluid channelling with an increased potential for chemical fluid/rock disequilibrium. Therefore, large breccia vein systems tend to be sites of extensive fluid/rock interaction and replacement, as spectacularly illustrated by the syntectonic sulphide orebodies at Elura. The huge amounts of silicate, carbonate and sulphide accumulated during folding at Elura illustrate the large scale of source and sink couples possible in solute mass transfer.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1989.tb00599.x
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  • 53
    Electronic Resource
    Electronic Resource
    The geodynamic evolution of the Internal Zone of the Betic Cordilleras (south-east Spain): a model based on structural analysis and geothermobarometry (1989)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 7 (1989), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: The Internal Zone of the Betic Cordilleras consists of several superimposed major thrust sheets with different P-T-t evolutions. On the basis of an integrated field, microscopic and laboratory study, the tectono-metamorphic history of the Mulhacen Complex and Almanzora Unit has been reconstructed in detail. The Mulhacen Complex has been affected by at least five phases of penetrative deformation, which have been labelled Dx-1, Dx, Dx+1, Dx+2 and Dx+3. Dx-1, and Dx are related to continent-continent collision, which is indicated by high pressure-low temperature (HP/LT) and subsequent intermediate P/T metamorphic conditions. Dx+1 is related to crustal thinning and heterogeneous extension. During this event the Almanzora Unit was juxtaposed against the Mulhacen Complex. This phase was succeeded by the establishment of low pressure-high temperature (LP/HT) conditions and at least two phases of folding and overthrusting. The Almanzora Unit shows a comparable tectono-metamorphic evolution post Dx+1. However, the P/T conditions prior to Dx+1 indicate a higher crustal position with respect to the Mulhacen Complex during the collisional event.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1989.tb00603.x
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  • 54
    Electronic Resource
    Electronic Resource
    The Acadian thermal history of western Maine (1989)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 7 (1989), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Following the Middle Devonian Acadian deformation an extensive belt of high grade metamorphism was formed in New England. In south-western Maine, at the northern end of this belt, there occurs a transition along the strike from regional low-pressure/high-temperature metamorphism to contact metamorphism in low-grade rocks. Petrological studies indicate that this transition occurs along a surface plunging to the north-east at about 3.5°, with respect to the Middle-to-Late Devonian erosion surface. In addition, detailed petrological mapping has defined a history of temporally separate, localized metamorphic events associated with plutonism and occurring at increasingly deeper levels to the south-west. Geochronological studies constrain ambient temperatures in the transition zone at the time of metamorphism to be less than 300° C in the north-east and between 350° C and 500° C in the south-west. They also establish a pattern of diachronous cooling due to differential uplift and erosion, with cooling occurring later and most rapidly to the south-west. Geophysical evidence suggests that along with this spatial variation in metamorphic style the shapes of the plutons in Maine undergo a transition from laterally extensive sheet-like bodies in the high grade terrane to more equant-shaped bodies in the low-grade terrane. Using the results of these petrological, geochronological and geophysical studies, as well as those of stratigraphical and structural studies we construct a thermal model for the transition zone. The model suggests that the Acadian metamorphism in south-western Maine is a result of deep-level contact metamorphism near laterally extensive granitic sills dipping to the north-east with respect to the present erosion surface. The plutons themselves are interpreted to be a result of lower crustal melting in response to crustal thickening in the presence of normal or slightly augmented mantle heat flux.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1989.tb00583.x
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  • 55
    Electronic Resource
    Electronic Resource
    Forthcoming papers in the Journal of Metamorphic Geology (1989)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 7 (1989), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1989.tb00589.x
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    Forthcoming papers in the Journal of Metamorphic Geology (1988)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 6 (1988), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1988.tb00452.x
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    Contrasting sapphirine parageneses from Wilson Lake, Labrador and their tectonic implications (1988)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 6 (1988), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract Regionally distributed pelitic granulites in the Wilson Lake region contain the assemblage sapphirine + hypersthene + sillimanite + quartz. Geochronology and geobarometry suggest it developed in early Proterozoic rocks at temperatures approaching 900°C and pressures above 10 kbar. Vein-like metasomatized rocks around a suite of mafic to ultramafic intrusions, emplaced near the peak of metamorphism about 1700 Ma ago, contain sapphirine, but these assemblages developed at temperatures near 750°C and pressures of 4.5 kbar. Both types of assemblage occur as relics in amphibolite-grade (biotite–sillimanite) migmatites. P–T determinations indicate rapid isothermal uplift of 20 km accompanied by mafic intrusion and hydration. The metamorphic history and tectonic setting suggest exposure of deep continental crust by thrusting during continental collision, followed by essentially isothermal decompression.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1988.tb00443.x
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    Alpine metamorphism of pelitic schists in the Nufenen Pass area, Lepontine Alps (1987)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 5 (1987), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract The effects of Tertiary Alpine metamorphism on pelitic Mesozoic cover rocks have been studied along a cross-section in the central Lepontine Alps in the Nufenen Pass area, Switzerland.Greenschist facies to amphibolite facies conditions are indicated by the formation of the index minerals chloritoid, garnet, staurolite and kyanite in pelitic rocks. Regional metamorphism reached maximum conditions during the interkinematic period between a main Alpine penetrative (D2) and a late Alpine (D3) crenulation type deformation phase or synchronous with the late Alpine deformation. Based on AFM phase relationships four different metamorphic zones can be distinguished: (1) chloritoid zone; (2) staurolite + chlorite zone; (3) staurolite + biotite zone; and, (4) kyanite zone.The isograds that separate these zones can be modelled by univariant reactions in the KFMASH system. The conditions of metamorphism calculated from geological ther-mobarometers for the maximum post-D2 por-phyroblast stage are from North to South: 500° C at 5-6 kbar and 600° C at 7-8 kbar.Detailed thermobarometry of garnet por-phyroblasts with complex textures suggests that maximum temperature was reached later than maximum pressure. Early garnet growth occurred along a prograde P-T-path, post-D2 rims grew with increasing temperature but decreasing pressure, and finally post-D3 garnet formed along a retrograde P-T-path.It may be concluded from the calculated pressure and temperature difference over a short distance (3 km) across the mapped area that the isogradic surfaces of the post-D2 metamorphism are steeply oriented. The data also suggest that isobaric and isothermal surfaces are parallel.Much of the observed metamorphic pattern can be explained as the result of a significant post-D2 differential uplift of the hot Pennine area relative to the Helvetic area along a tectonic contact zone. The closely spaced isograds (isotherms) in the North may then be interpreted as a thermal effect owing to the emplacement of the hot Pennine rocks against the Got-thard massif with its cover. Whereas, in the Pennine metasediments, post-D2 porphyroblast formation can be related to the decompression path which was steep enough for dehydration reactions to proceed. It is also remarkable that late kyanite porphyroblasts probably formed with decreasing pressure.The interpretation given here for the Nufenen Pass area may also apply to the Luk-manier Pass area where similar metamorphic patterns have been reported by Fox (1975). The formation of the ‘Northern Steep Belt’;, as denned by Milnes (1974b), and the associated late Alpine fold zones may, therefore, have significantly modified the metamorphic pattern of the Helvetic-Penninic contact zone.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1987.tb00378.x
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  • 59
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    Forthcoming papers in the Journal of Metamorphic Geology (1987)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 5 (1987), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1987.tb00385.x
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    Syntectonic porphyroblast growth in phyllites: textures and processes (1987)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 5 (1987), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract Porphyroblast textures in a Karakorum phyllite reveal that porphyroblast growth was syn-tectonic with respect to a cleavage forming deformation. During and after porphyroblast growth it partitions the deformation such that zones of intensified cleavage are developed which wrap around the porphyroblast whilst the porphyroblast and its strain shadow undergo little deformation. Porphyroblast strain shadows comprise quartz, calcite and felspar with little mica, and are probably formed by solution transfer during deformation. Unless the deformation is so strongly partitioned that no deformation of the porphyroblasts and their immediate surrounds occurs, inequidimensional porphyroblasts will rotate. Porphyroblasts undergo some dissolution after they have finished growing.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1987.tb00367.x
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    The Rayner Complex of East Antarctica: complex isotopic systematics within a Proterozoic mobile belt (1987)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 5 (1987), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract New isotopic (Rb–Sr, U–Pb zircon and Sm–Nd) and petrological data are presented for part of an extensive Proterozoic mobile belt (locally known as the Rayner Complex) in East Antarctica. Much of the belt is the product of Mid-Proterozoic (∼ 1800–2000 Ma) juvenile crustal formation. Melting of this crust at about 1500 Ma ago produced the felsic magmas from which the dominant orthogneisses of this terrain were subsequently derived. Deformation and transitional granulite-amphibolite facies conditions (which peaked at 750 ± 50°C and 7–8 kbar (0.7–0.8 GPa) produced open to tight folding about E–W axes and syn-tectonic granitoids about 960 Ma ago. Subsequent felsic magmatism occurred at about 770 Ma and not, as has been widely advocated, at 500–550 Ma, which appears to have been a time of widespread upper greenschist facies (400–500°C) metamorphism, localized shearing and faulting.Sm-Nd model ages of 1.65–2.18 Ga disprove a previously favoured hypothesis that the Rayner Complex mostly represents reworked Archaean rocks from the neighbouring craton (Napier Complex). Models that involve rehydration of the Napier Complex are no longer required, since the Rayner Complex was its own source of water. Two episodes of Proterozoic crustal growth are identified, the later of which occurred between about 1200 Ma and 1000 Ma, and was relatively minor. Sedimentation took place only shortly before Late Proterozoic orogenesis.The multiphase history of the Rayner Complex has resulted in complex isotopic behaviour. Three temporally discrete episodes of Pb loss from zircon have been identified, the earliest two of which are responses to the c. 960 Ma and 540 Ma tectonothermal events. Fluid leaching was operative during the later event for there is a good correlation between degree of isotopic discordance and secondary mineral growth. Pb loss during the high-grade event was probably governed by the same process or by lattice annealing. Some zircon suites also document recent Pb loss. Most lower concordia intercepts have no direct geological meaning and are explicable as mixed ages produced by incomplete Pb loss during two or more secondary events. Whereas all zircon separates from the orthogneisses produce U–Pb isotopic alignments, zircons from the only analysed paragneiss produce scattered data, in part reflecting a range of provenance. The 960 Ma event was also associated with the growth of a characteristically low U zircon (∼ 300 μg/g) in rocks of inferred high Zr content.There is ubiquitous evidence for the resetting of Rb–Sr total-rock isochrons. Even samples separated by up to 10 km fail to produce igneous crystallization ages. Minor mineralogical changes produced by the 540 Ma upper greenschist-facies metamorphism were sufficient to almost completely reset some Rb–Sr isochrons and to produce open system conditions on outcrop scale, at least in one location.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1987.tb00366.x
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    Models for the tectonothermal evolution of the eastern Dalradian of Scotland (1987)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 5 (1987), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract The preserved array of pressures in the eastern Dalradian indicates that considerable syn- to post-metamorphic differential uplift has occurred. This inferred differential uplift suggests that Buchan sillimanite zone rocks originally lay at higher structural levels than presently adjacent cooler kyanite zone rocks to the west. A number of features are believed to coincide with the western margin of the sillimanite zone. These are a maximum in temperature, sharp thermal features, a high strain zone, and a train of metabasites. These features are explained by invoking syn-metamorphic movement between the Buchan sillimanite zone and the kyanite zone to its west, involving some horizontal component of movement. It is suggested that the lateral, now eroded, equivalents of the Buchan area once provided part of the required tectonic thickening for other parts of the Dalradian. Areas surrounding the Buchan area suffered tectonic burial followed by metamorphism during uplift relative to the Buchan area.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1987.tb00372.x
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    A newly discovered high-pressure terrane in eastern Hokkaido, Japan (1986)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 4 (1986), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract The upper Jurassic Nikoro greenstone complex of eastern Hokkaido suffered high-pressure intermediate type metamorphism. Characteristic minerals include lawsonite, aragonite, sodic pyroxene of the aegirinejadeite series, winchite. sodic amphibole of the glaucophane-riebeckite series, pumpellyite, epidote and actinolite.High-pressure metamorphism of the Nikoro greenstone complex is related to subduction of the Kula plate toward the Palaeo-Okhotsk Land during Cretaceous time.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1986.tb00360.x
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    ERRATUM (1986)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 4 (1986), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1986.tb00357.x
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    C–O–H–N fluids in quartz segregations from a major ductile shear zone: the Berzosa fault, Spanish Central System (1986)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 4 (1986), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract The Berzosa fault is a major ductile shear zone, the Berzosa Shear Zone (BSZ), which separates the ‘Ollo de Sapo’anticline from the inner higher-grade crystalline axis of the Iberian Hercynian Belt. This shear zone is the site of abundant early kinematic quartz (± Al-silicates) segregations, rich in fluid inclusions. Host rocks are medium-grade staurolite schists and sillimanite gneisses.Fluid inclusions in selected quartz segregations across the Berzosa shear zone have been studied by microthermometric methods as well as, in some instances, by Raman analysis. The recorded fluid inclusion history begins at the end of an intense secondary recrystallization period during late-peak metamorphic conditions and lasts until late in the uplift history of the zone.Three types of inclusions have been found, which in a time sequence are: CO2± H2O; H2O+salt (B-type); and, N2+CH4. Three types of B inclusion may be distinguished in turn, depending on whether they were trapped during an earlier dynamic-recovery phase (B1-type), formed later as intergranular trails (B2-type), or were trapped apparently along with N2+CH4 in clusions from a heterogeneous fluid (B3-type).Considerations from isochores confirm that CO2± H2O inclusions were trapped during late-peak and high-T retrograde metamorphic conditions (in the range 650–500°C and 5–2 kbar), whilst N2+CH4 inclusions, along with the B3-type of inclusions, formed at low-pressures (〈1 kbar) and temperatures (± 300°C). B2-type inclusions were trapped chronologically between these two in a period in which strong inverse lateral thermal gradients developed in the zone. Inferred P-T paths for the area are convex to the T-axis.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1986.tb00342.x
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    P–T conditions for the Arendal granulites, southern Norway: implications for the roles of P, T and CO2 in deep crustal LILE-depletion (1986)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 4 (1986), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract The orthopyroxene-clinopyroxene, garnet-orthopyroxene and garnet-clinopyroxene geothermometers, and the garnet-orthopyroxene-plagioclase, garnet-clinopyroxene-plagioclase and anorthite-ferrosilite-grossular-almandine-quartz geobarometers are applied to metabasites and the garnetplagioclase-sillimanite-quartz geobarometer is applied to a metapelite from the Proterozoic Arendal granulite terrain, Bamble sector, Norway. P–T conditions of metamorphism were 7.3 ± 0.5 kbar and 800 ± 60°C.This terrain shows a regional gradation from the amphibolite facies, into normal LILE content granulite facies rocks and finally strongly LILE deficient granulite facies gneisses. Neither P nor T vary significantly across the entire transition zone. The change in ‘grade’parallels the increasing dominance of CO2 over H2O in the fluid phase.LILE-depletion is not a pre-condition of granulite facies metamorphism: granulites may have either ‘depleted’or ‘normal’chemistries. The results presented herein show that LILE-deficiency in granulite facies orthogneisses is not necessarily related to variations in either P or T. The important mechanisms in the Arendal terrain were (a) direct synmetamorphic crystallization from magma, with primary LILE-poor mineralogies imposed by the prevailing fluid regime, and (b) metamorphic depletion, involving scavenging of LILEs during flushing by mantle-derived CO2-rich fluids. The latter process is constrained by U–Pb and Rb–Sr isotopic work to have occurred no later than 50 Ma after intrusion of the acid-intermediate gneisses, and was probably associated with contemporary basic magmatism in a tectonic environment similar to a present day cordilleran continental margin.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1986.tb00344.x
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    Petrology of marble and peridotite in the Seiad ultramafic complex, northern California, USA (1986)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 4 (1986), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract Peridotite and infolded marble of the Seiad ultramafic complex were recrystallized in the upper amphibolite facies as part of the regional progressive metamorphism of the Rattlesnake Creek terrane. Field relations, including the occurrence of metarodingites, and metasomatic zones between dissimilar rock types, demonstrate that the metasediments and serpentinized ultramafic rocks were juxtaposed prior to regional, barrovian metamorphism. Temperatures are estimated to have reached 760–800°C at pressures of 7–8 kbar during the peak of metamorphism. Four low-variance parageneses have been identified within a small (3 km2) area of the complex, which may reasonably be assumed to have formed under the same P and T conditions. Isobaric T-Xco2 diagrams of appropriate equilibria are presented for three different internally consistent sets of thermodynamic data. Despite the seemingly small numerical differences between the standard state thermodynamic properties of the data sets, only one diagram allows the four observed assemblages to coexist within a reasonable temperature range. All three phase diagrams require differences in fluid composition on the scale of a thin section; strong evidence for effective control of pore fluid composition by local mineral reactions during metamorphism.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1986.tb00346.x
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    Chromian omphacite from low-grade metamorphic rocks, Nishisonogi, Kyushu, Japan (1986)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 4 (1986), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract Chromian omphacite which contains up to 4 wt % Cr2O3 has been identified from low-grade metamorphic rocks in Nishisonogi, Kyushu, Japan. It occurs as aggregates, forming a thin horizon ([20 mm thick) in alayered metagabbro within a serpentinite melange zone, together with Cr-free omphacite, actino-lite, epidote and sphene. It may have been formed by the metasomatic introduction of Cr into the metagabbro from the serpentinite rather than by reaction with chromite. The structural formula, based on EPMA analyses, and the optical absorption spectrum of the chromian omphacite show that the Cr is positioned in the octahedral site.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1986.tb00338.x
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    Incipient metamorphism in the Lower Palaeozoic marginal basin of Wales (1986)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 4 (1986), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract A diagenctic through anchizone to epizone transition is demonstrated in pelitic rocks of the Lower Palaeozoic marginal basin of Wales by examination of variations in phyllo-silicate mineralogy, illite crystallinity and bo parameter of white micas. This transition represents a temperature range from ∼ 150°C to ∼ 400°C and the metamorphism is of a low-pressure facies series type, with a geothermal gradient of ∼ 40°Ckm-1. Variations in grade can be correlated largely with the original basin and shelf form, suggesting a depth-related metamorphism. However, in areas closer to the site of Caledonian plate collision an increasingly syn-tectonic metamorphic event is apparent.Correlation of pelite data with metabasite assemblages is variable, the most consistent relationship being between epizone crystallinity values andepidote-actinolite (greenschist facies) assemblages. Diagenetic clay mineral assemblages are found associated with prehnite-pumpellyite assemblages in metabasites and it is suggested that the latter represent non-buffered, and therefore non-diagnostic, assemblages.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1986.tb00340.x
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    Alpine metamorphism in the south-east Tauern Window, Austria: 2. Rates of heating, cooling and uplift (1985)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 3 (1985), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract Existing geochronological data are reviewed and new Rb-Sr, K-Ar and 39Ar–40Ar ages are presented, including a suite of 33 mica ages from a 20 km north–south tunnel section. These data are discussed in relation to the thermal history from the overthrusting of the Autroalpine nappes c. 65 Myr ago to the present. The earliest phase of metamorphism, involving lawsonite crystallization, is associated with emplacement of these nappes. Subsequently, temperatures in the rocks beneath rose, at a mean rate of 3–6°C/Myr, until the climax of metamorphism.At high structural levels, published data indicate an age 〉 35 Myr for the metamorphic climax. In contrast, a new 39Ar–40Ar step-heating age of 23.8 ± 0.8 Myr on amphibole, from near the base of Peripheral Schieferhülle, closely approximates the age of metamorphism and provides the first clear indication that the climax of metamorphism occurred later at deeper structure levels. Following the climax, near-isothermal uplift and erosion reduced pressure to c. 1 kbar before white mica closure at 19 Myr; this implies uplift at 〉3 mm/yr.Along the tunnel section, white mica K-Ar ages vary systematically from 24 Myr to 16.5 Myr with position relative to a late 4 km amplitude dome whereas biotite Rb-Sr ages are uniform at 16.5 Myr across the whole profile; doming is thus dated at 16.5 Myr with transient uplift rates 〉5 mm/yr. At other times uplift rates were 〈1 mm/yr.
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    The metamorphic evolution of granulites at Fyfe Hills; implications for Archaean crustal thickness in Enderby Land, Antarctica (1985)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 3 (1985), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract Granulites at Fyfe Hills in Enderby Land, Antarctica, crystallized at temperatures in excess of 850°C, and possibly as high as 1000°C, and at pressures of 8-10kbar during the mid to late Archaean. A number of features, including repeated retrograde metamorphism at 5.5-8kbar, retrograde reaction textures, and rimward zoning in pressure sensitive systems, suggest that following peak metamorphism the granulites stabilized at a depth of 18-26 km. After stabilization, the granulites cooled near-isobarically to temperatures of 600-700°C. Assuming a total crustal thickness of 35-40 km during this late Archaean interval of isobaric cooling, the peak metamorphic crustal thickness is estimated at 35-56 km. This estimate is significantly less than the 60-70 km obtained by summing the depths of the present levels of exposure (26-34 km) and the thickness of the crust presently beneath Fyfe Hills (approxi-mately 35km) and is, therefore, consistent with independent evidence for extensive post-Archaean thickening of the Enderby Land crust.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1985.tb00312.x
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    New IGCP Project 235 Metamorphism and Geodynamics (1985)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 3 (1985), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1985.tb00314.x
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    Forthcoming papers in the Journal of Metamorphic Geology (1985)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 3 (1985), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1985.tb00315.x
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    Petrology and geothermometry of retrograded Hercynian charnockites and host gneisses, Agly Massif, French Pyrenees (1985)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 3 (1985), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract A Hercynian charnockite occurs within high-grade gneisses in the Agly Massif, French Pyrenees. Its thermal history has been evaluated using the Fe-Mg distribution coefticient (KD) between garnet and biotite. These minerals have different origins but similar compositions in the charnockites and host gneisses. In the charnockite, the Bi–Ga pairs are the retrograde products of Opx alteration. This Opx reaction with feldspar can be written. Opx + PI + Fluid 1(H2O + Al + K + Fe + Ti) = Bi + Ga + Q + Fluid 2(H2O + Na). The garnets are relatively Ca poor (4–2.5% grossular); they are automorphic and zoned in the gneisses and poikiloblastic in the charnockites. Both types show a retrograde rim (of few hundred microns’width) across which Fe and Mn increase as Mg decreases. The biotites show a good correlation between the octahedral cations (Ti4++ Fe2+) and (Mg2++ Al3+VI); Ti and Fe both increase, whereas Mg and AlVI decrease. There is an inverse linear correlation between Fe2+ and Mg2+ and the Fe/Mg ratio increases as Ti increases. The relation between Ti and KGa-BiDFe-Mg is less clear: it seems that KD slightly decreases as Ti increases. The equilibration temperatures of Ga–Bi pairs are discussed: the charnockite Ga-Bi pairs have equilibrated between 550°C and 600°C; whereas those of the gneisses have equilibrated between 550°C and 650°C. Two main thermal steps appear: one in the gneisses between 600-650°C and a second one in both the gneisses and the charnockites between 550°C and 600°C.
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    The metamorphism in the Central Himalaya (1989)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 7 (1989), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: All along the Himalayan chain an axis of crystalline rocks has been preserved, made of the Higher Himalaya crystalline and the crystalline nappes of the Lesser Himalaya. The salient points of the metamorphism, as deduced from data collected in central Himalaya (central Nepal and Kumaun), are:〈list xml:id="l1" style="custom"〉1The Higher Himalaya crystalline, also called the Tibetan Slab, displays a polymetamorphic history with a first stage of Barrovian type overprinted by a lower pressure and/or higher temperature type metamorphism. The metamorphism is due to quick and quasi-adiabatic uplift of the Tibetan Slab by transport along an MCT ramp, accompanied by thermal refraction effects in the contact zone between the gneisses and their sedimentary cover. The resulting metamorphic pattern is an apparent (diachronic) inverse zonation, with the sillimanite zone above the kyanite zone.2Conversely, the famous inverted zonation of the Lesser Himalaya is basically a primary pattern, acquired during a one-stage prograde metamorphism. Its origin must be related to the thrusting along the MCT, with heat supplied from the overlying hot Tibetan Slab, as shown by synmetamorphic microstructures and the close geometrical relationships between the metamorphic isograds and the thrust.3Thermal equilibrium is reached between units above and below the MCT. Far behind the thrust tip there is good agreement between the maximum temperature attained in the hanging wall and the temperature of the Tibetan Slab during the second metamorphic stage; but closer to the MCT front, the thermal accordance between both sides of the thrust is due to a retrogressive metamorphic episode in the basal part of the Tibetan Slab.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1989.tb00573.x
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    Deformation, metamorphism and imbrication of the Indian plate, south of the Main Mantle Thrust, north Pakistan (1989)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 7 (1989), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: South of the Main Mantle Thrust in north Pakistan, rocks of the northern edge of the Indian plate were deformed and metamorphosed during the main southward thrusting phase of the Himalayan orogeny. In the Hazara region, between the Indus and Kaghan Valleys, metamorphic grade increases northwards from chlorite zone to sillimanite zone rocks in a typically Barrovian sequence. Metamorphism was largely synchronous with early phases of the deformation. The metamorphic rocks were subsequently imbricated by late north-dipping thrusts, each with higher grade rocks in the hanging wall than in the footwall, such that the metamorphic profile shows an overall tectonic inversion. The rocks of the Hazara region form one of a number of internally imbricated metamorphic blocks stacked, after the metamorphic peak, on top of each other during the late thrusting. This imbrication and stacking represents an early period of post-Himalayan uplift.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1989.tb00578.x
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    Thermal model for the Zanskar Himalaya (1989)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 7 (1989), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Crustal thickening along the northern margin of the Indian plate, following the 50 Ma collision along the Indus Suture Zone in Ladakh, caused widespread high-temperature, medium-pressure Barrovian facies series metamorphism and anatexis. In the Zanskar Himalaya metamorphic isograds are inverted and structurally telescoped along the Main Central Thrust (MCT) Zone at the base of the High Himalayan slab. Along the Zanskar valley at the top of the slab, isograds are the right way-up and are also telescoped along northeast-dipping normal faults of the Zanskar Shear Zone (ZSZ), which are related to culmination collapse behind the Miocene Himalayan thrust front. Between the MCT and the ZSZ a metamorphic-anatectic core within sillimanite grade rocks contains abundant leucogranite-granite crustal melts of probable Himalayan age. A thermal model based on a crustal-scale cross-section across the Zanskar Himalaya suggests that M1 isograds, developed during early Himalayan Barrovian metamorphism, were overprinted during high-grade MCT-related anatexis and folded around a large-scale recumbent fold developed in the hanging wall of the MCT.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1989.tb00579.x
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    Microstructural controls and the role of graphite in matrix/ porphyroblast exchange during synkinematic andalusite growth in a granitoid aureole (1988)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 6 (1988), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract In the contact metamorphic aureole of the Tinaroo Batholith (north Queensland, Australia), mylonitic rocks were metamorphosed during a regional folding/crenulation event (D2) synchronous with the emplacement of muscovite-bearing granitoids. Prismatic and skeletal andalusite porphyoblasts grew in carbonaceous schists, mainly from the dissolution of staurolite. Muscovite, quartz and biotite played a dual role in this reaction, acting in a catalytic capacity as well as reactants or products. Staurolite was replaced by coarse-grained muscovite ± biotite, whereas andalusite locally replaced quartz ± muscovite ± biotite, with diffusion of H, Al, Si, Mg, Fe and K ionic species linking sites of dissolution and growth.Graphite contributed to the reaction mechanism in a number of ways. Accumulations of graphite in front of advancing andalusite crystal faces led to skeletal growth and the formation of chiastolite structure, where incremental growth occurred on adjacent {110} faces, with subsequent filling in and inclusion of graphite along the diagonal zones. The presence of graphite in some layers in the schist matrix prevented recrystallization of strained muscovite grains. The muscovite grains in these layers, in contrast to adjacent thin non-graphitic layers, were preferentially replaced by quartz. This resulted in muscovite-depletion haloes in graphitic layers around andalusite porphyroblasts. Somewhat arcuate zones of graphite, concentrated during dissolution of quartz along a crenulation cleavage, occur on some andalusite faces. Reactivation of the mylonitic foliation during the formation of D2 crenulations led to a preferential dissolution of quartz in zones of progressive shearing localized near andalusite porphyroblasts and hence the accumulation of graphite.Lack of deflection of the pre-existing mylonitic foliation and anastomosing of the axial planes of D2 crenulations around andalusite porphyroblasts demonstrate not only the timing of growth, but also that growing porphyroblasts do not push aside existing foliations.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1988.tb00446.x
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    Review (1988)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 6 (1988), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: THE YOUNG EARTH: AN INTRODUCTION TO ARCHAEAN GEOLOGY. By E.G. Nisbet. Allen and Unwin, Boston, 1987. pp. 402.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1988.tb00450.x
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    Microstructural evidence of rotation and non-rotation of mica porphyroblasts (1988)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 6 (1988), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract Mica porphyroblasts in schists from several regions show nearly planar inclusion trails that are parallel over areas much larger than the wavelengths of later folds. This indicates that the porphyroblasts have not rotated, with respect to geographical co-ordinates, during deformation. Instead, the matrix has rotated, as suggested by Ramsay (1962). Even in zones of marked shortening in the matrix adjacent to large rigid porphyroblasts (e.g. of cordierite or staurolite), small biotite porphyroblasts have not rotated, but have become thinned by solution, as indicated by parallelism of inclusion trails in separate biotite grains and by evidence of truncation of inclusion trails by the matrix foliation. Less common are biotite porphyroblasts that have single asymmetrical microfolds in the matrix adjacent to the porphyroblasts and so appear to have rotated; these porphyroblasts are characterized by kinking.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1988.tb00442.x
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    Definition of low-grade metamorphic zones using illite crystallinity (1988)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 6 (1988), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract Two major problems which exist in the use of illite crystallinity to define low-grade metamorphic zones are the variety of values chosen for the zone boundaries and the persistent use of three different indices of crystallinity. Although measurement techniques, which cause much of the interlaboratory variation, can be standardized, it is shown that there is, nevertheless, significant additional variation which demands calibration on standards. The greatest variations are due to choices of different absolute values of crystallinity to define zone boundaries. The problem of relating measurements between different indices is approached by fitting mathematical relationships to pairs of measurements from the same sample. A power–law relationship is a satisfactory fit to the Kubler–Weaver and Weaver–Weber pairs, while the Kubler–Weber indices are linearly related. These relationships are used to transform definitions of the diagenetic zone, anchizone and epizone from one index to the others, although they apply strictly only to the data set from which they are derived. This results in compatibility between the three zones and shows that previous definitions to the anchizone in different indices have been chosen at incompatible values. The boundaries of Kubler's anchizone (0.42 and 0.25 Δ2θ) are 0.4 and 0.215 Δ2θ in this study, which become 5.1 and 14.6 in the Weaver index and 278 and 149 in the Weber index. An error analysis shows that percentage errors in both Kubler and Weaver indices increase with crystallinity; the Kubler measurements are marginally preferred at all grades.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1988.tb00444.x
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    Temporal and compositional differences between subsolidus and anatectic migmatite leucosomes from the Quetico metasedimentary belt, Canada (1988)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 6 (1988), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract Migmatites in the Quetico Metasedimentary Belt contain two types of leucosome: (1) Layer-parallel leucosomes that grew during deformation and prograde metamorphism. These are enriched in SiO2, Sr, and Eu, but depleted in TiO2, Fe2O3, MgO, Cs, Rb, REE, Sc, Th, Zr, and Hf relative to the Quetico metasediments. (2) Discordant leucosomes that formed after the regional folding events when metamorphic temperatures were at their peak. These are enriched in Rb, Ba, Sr and Eu, but display a wide range of LREE, Th, Zr, and Hf contents relative to the Quetico metasediments.Layer-parallel leucosomes formed by a subsolidus process termed tectonic segregation. This stress-induced mass transfer process began when the Quetico sediments were deformed during burial, and continued whilst the rocks were both stressed and heterogeneous. Subsolidus leucosome compositions are consistent with the mobilization of quartz and feldspar from the host rocks by pressure solution. The discordant leucosomes formed by partial melting of the Quetico metasediments, possibly during uplift of the belt. The range of composition displayed by the anatectic leucosomes arises from crystal fractionation during leucosome emplacement. Some anatectic leucosomes preserve primary melt compositions and have smooth REE patterns, but those with negative Eu anomalies represent fractionated melts, and others with positive Eu anomalies represent accumulations of feldspar plus trapped melt.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1988.tb00432.x
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    Experimental deformation of partially melted granitic aggregates (1988)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 6 (1988), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract The effects of varying amounts of partial melt on the deformation of granitic aggregates have been tested experimentally at conditions (900°C, 1500 MPa, 10-4 to 10-6/s) where melt-free samples deform by dislocation creep, with microstructures approximately equivalent to those of upper greenschist facies. Experiments were performed on samples of various grain sizes, including an aplite (150 μm) and sintered aggregates of quartz-albitemicrocline (10–50 and 2–10 μm). Water was added to the samples to obtain various amounts of melt (1–15% in the aplite, 1–5% in the sintered aggregates). Optical and TEM observations of the melt distribution in hydrostatically annealed samples show that the melt in the sintered aggregates is homogeneously distributed along an interconnected network of triple junction channels, while the melt in the aplites is inhomogeneously distributed.The effect of partial melt on deformation depends an melt amount and distribution, grain size and strain rate. For samples deformed with ˜ 1% melt, all grain sizes exhibit microstructures indicative of dislocation creep. For samples deformed with 3–5% melt, the 150 μm and 10–50 μm grain size samples also exhibit dislocation creep microstructures, but the 2–10 μm grain size samples exhibit abundant TEM-scale evidence of dissolution-precipitation and little evidence of dislocation activity, suggesting a switch in deformation mechanism to predominantly melt-enhanced diffusion creep. At natural strain rates melt-enhanced diffusion creep would predominate at larger grain sizes, although probably not for most coarse-grained granites.The effects of melt percentage and strain rate have been studied for the 150 μm aplites. For samples with ˜ 5 and 10% melt, deformation at 10–6/s squeezes excess melt out of the central compressed region allowing predominantly dislocation creep. Conversely, deformation at 10-5/s produces considerable cataclasis presumably because the excess melt cannot flow laterally fast enough and a high pore fluid pressure results. For samples with 15% melt, deformation at both strain rates produces cataclasis, presumably because the inhomogeneous melt distribution resulted in regions of decoupled grains, which would produce high stress concentrations at point contacts. At natural strain rates there should be little or no cataclasis if an equilibrium melt texture exists and if the melt can flow as fast as the imposed strain rate. However, if the melt is confined and cannot migrate, a high pore fluid pressure should promote brittle deformation.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1988.tb00436.x
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    Coexisting amphiboles in an eclogite from the Western Alps: new constraints on the miscibility gap between sodic and calcic amphiboles (1988)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 6 (1988), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract Crystal-chemical relationships between coexisting sodic and calcic amphiboles have been studied in eclogitic metagabbros from the Aosta Valley, Western Alps. Textural analysis gives evidence of three successive high-pressure parageneses:1. Pre-kinematic high-grade blueschist assemblages, preserved as polymineralic inclusions in garnet cores and made of glaucophane and actinolite (stage A).2. Synkinematic eclogite assemblages, composed of garnet + omphacite + glaucophane ± actinolite ± white mica ° Clinozoisite + quartz + rutile (stage B).3. Post-kinematic epitactic overgrowths of barroisitic amphibole on glaucophane and actinolite (stage C). P–T conditions of the eclogitic metamorphism have been estimated at around 500–550°C, 16 kbar.Glaucophane and actinolite coexist as discrete grains in stage A and B assemblages. This texture and the chemistry of the amphiboles unambiguously denotes the existence of a miscibility gap between sodic and calcic amphiboles (from NaM4= 0.80 in actinolite to NaM4= 1.70 in glaucophane at T= 500–550°C). A comparison with published analyses allows a new solvus along the glaucophane–actinolite join to be drawn.The later barroisitic amphibole (stage C) exhibits strong chemical zonation indicating disequilibrium growth. This amphibole cannot either be used to define a miscibility gap with glaucophane or actinolite or be considered as an intermediate stage between these two end-members.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1988.tb00424.x
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    Thermal and baric evolution of garnet granulites from Sri Lanka (1988)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 6 (1988), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract Garnet granulites from Sri Lanka preserve textural and chemical evidence for prograde equilibration at temperatures of at least 700–750°C and pressures in the vicinity of 6–8 kbar. Associated strain patterns suggest prograde metamorphism occurred during and immediately following an episode of crustal thickening, with the prograde P–T conditions probably reflecting a combination of the conductive and advective transport of heat at the mid-levels of tectonically thickened crust. The occurrence of prograde wollastonite provides evidence for internally buffered fluid compositions, or fluid absent conditions, during peak metamorphism and precludes pervasive advection of a CO2-rich fluid. The advective heat component is therefore likely to have been provided by the transport of silicate melt. Intricate symplectitic textures record partial re-equilibration of the garnet granulites to lower pressures (˜ 4–6 kbar) at high temperatures (600–750°C), and testify either to the erosional denudation of the overthick crust prior to significant cooling (i.e. quasi-isothermal decompression) or to a subsequent static heating possibly of early Palaeozoic age (Pan-African). The metamorphic history of the Sri Lankan granulites is compared with high grade terrains in the neighbouring fragments of Gondwana, with the emphasis on similarities with Proterozoic granulites of the East Antarctic craton.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1988.tb00425.x
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    Review (1988)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 6 (1988), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: TECTONIC SETTINGS OF REGIONAL METAMORPHISM. Edited by E.R. Oxburgh, B.W.D. Yardley and P.C. England. Royal Society of London. 1987.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1988.tb00427.x
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    An internally consistent dataset with uncertainties and correlations: 3. Applications to geobarometry, worked examples and a computer program (1988)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 6 (1988), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract This paper provides methods and a description of a Pascal computer program, thermocalc, for various thermodynamic calculations using the thermodynamic dataset presented in earlier papers in this series (Holland & Powell, 1985; Powell & Holland, 1985). The dataset involves uncertainties on the thermodynamic parameters and therefore allows uncertainties to be calculated on results, for example in geothermometry and geobarometry. Recommendations are made for the uncertainties on activities to be used in calculations on rocks, particular emphasis being placed on preventing underestimates of these uncertainties at small mole fractions. Apposite examples of phase diagram and rock calculations are presented with ouput from thermocalc, demonstrating the utility of the program. Of the rock calculations, the most valuable are considered to be those involving simultaneous combination ‘least squares’of calculated conditions for a set of reactions applicable to a rock. This set of reactions involves the independent reactions which can be written between the end-members in the minerals in a rock and in the thermodynamic dataset. In contrast to an approach based on specific geothermometers and geobarometers, this approach maximizes the benefit of having an internally consistent thermodynamic dataset. thermocalc is available in IBM PC and Mac versions, from Roger Powell for A$25 or Tim Holland for £10 per version.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1988.tb00415.x
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    Evidence for an inverted metamorphic gradient associated with a Precambrian suture, southern Wyoming (1988)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 6 (1988), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract An inverted metamorphic gradient associated with the northern mylonite zone of the Cheyenne belt, a deeply eroded Precambrian suture in southern Wyoming, has been documented within metasedimentary rocks of the Early Proterozoic Snowy Pass Supergroup. Metamorphic grade in the steeply dipping supracrustal sequence increases from the chlorite through the biotite, garnet, and staurolite zones both stratigraphically and structurally upward toward the northern mylonite zone. A minimum temperature increase of approximately 100° C over a km-wide zone is required for this transition. Parallelism of inverted isograds with the trace of the northern mylonite zone implies a genetic relationship between deformation associated with that zone and the inverted metamorphic gradient within the Snowy Pass Supergroup.Field evidence together with microstructural and petrofabric analysis indicate northward thrusting of amphibolite-grade rocks over rocks of the Snowy Pass Supergroup along the northern mylonite zone. Mineral equilibria and garnet-biotite geothermometry on synkinematic mineral assemblages within the Snowy Pass metasedimentary rocks indicate deformation at minimum temperatures of 480° C and pressures of 350–400 MPa (3°5–4°0 kbar). This implies tectonic burial or upper plate thickness of 13–15 km.The narrow character of metamorphic zonation and microtextures within the Snowy Pass Supergroup which indicate late synkine-matic growth of garnet and staurolite, preclude rotation of pre-existing isograds by folding as a mechanism for development of the inverted gradient. Conductive transport of heat from the upper into the lower plate across the originally low-angle thrust is insufficient to produce the necessary temperatures in the lower plate. Shear heating is considered insufficient to produce the observed metamorphic transition unless high shear stresses are postulated. Up-dip advection of metamorphic fluids is a feasible, but unproven, mechanism for heat transport. The possibility that rapid uplift due to stacking of several thrust sheets may have played a role in preserving the inverted metamorphic gradient cannot be evaluated at present.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1988.tb00407.x
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    Crystallization of melts, pegmatite intrusion and the Inverian retrogression of the Scourian complex, north-west Scotland (1988)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 6 (1988), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract Partial melting of tonalitic gneisses in the 2.7 Ga Badcallian granulite facies metamorphic episode in the Scourian complex of north-west Scotland produced a suite of granitic to trondhjemitic liquids. On cooling and excavation of the complex, these melts underwent fractional crystallization and the residual liquids eventually became water saturated. Comparison with experimental data suggests that water saturation would have occurred in these melts at around 620–700°C. From the retrograde P–T-time path followed by the complex it is estimated that H2O-dominated fluids were exsolved from these melts at c. 2.5 Ga. It is proposed that these fluids were the cause of the 2.5 Ga Inverian retrogression of the Scourian complex and that water-saturated melts formed during the crystallization of the leucogneisses were intruded as a suite of pegmatites. The timing of pegmatite intrusion is consistent with this proposition as are the temperature estimates, timing, distribution and nature of the Inverian phase of metamorphism. It is likely that the crystallization of melts is an important process in bringing about hydrous retrogressive metamorphic episodes in a number of other basement terrains, such as West Greenland and Australia.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1988.tb00409.x
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    Low-grade metamorphism and geotectonic setting of the Macuchi Formation, Western Cordillera of Ecuador (1987)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 5 (1987), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract The Cretaceous-Eocene basic to intermediate marine volcanic rocks of the Mucuchi Formation constitute the Western Cordillera in northern Ecuador. Their chemical features mostly correspond to those of tholeiitic basalts with some calc-alkaline affinities and suggest an oceanic island arc setting. The Macuchi rocks are affected by low-grade, non-deformative metamorphism, characterized by zeolite, prehnite-pumpellyite and lower greenschist facies assemblages. Depth-zonation is suggested by the downward mineral sequence: (i) laumontite+ (pistacitic epidote, pumpellyite + prehnite); (ii) pumpellyite+ prehnite + pistacitic epidote; (iii) actinolite+biotite+ pistacitic epidote + chlorite. This broad zonation and the chemistry of individual minerals point to an interaction between the volcanic rocks and sea-water under a moderate to high thermal gradient (= 75° C/km?). Alteration appears to have been dependent primarily on fluid control (volume, pressure, composition), temperature and reaction kinetics which together partly overshadow the role of load-pressure. Compositional variations of a mineral species at the scale of a contiguous flow or even at the scale of a thin section show that intensity of alteration was spatially uneven depending on rock permeability and consequently, metastable equilibrium commonly exists. However, a progressive approximation to equilibrium as a result of P–T control is shown by the mineralogy. A high fo2 of the fluid phase is evident from the mineral chemistry. The metamorphism of the Macuchi volcanics is similar to the hydrothermal-burial type produced during the development of a volcanic arc where lavas and volcanoclastics accumulated in a shallow marine environment. However, some of its characteristics point to a transition toward systems defined by a higher T/P ratio such as those found in ocean-floor metamorphism.A model is proposed in which the Macuchi volcanics are assigned to an oceanic island arc generated contemporaneously with a marginal basin which has opened as the outcome of progressive north-south attenuation of the continental crust due to mantle diapirism.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1987.tb00397.x
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    Empirical garnet–muscovite geothermometry in low-grade metapelites, Selwyn Range (Canadian Rockies) (1988)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 6 (1988), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract Partitioning of Fe and Mg between garnet and phengitic muscovite was calibrated as a geothermometer by Green & Hellman (1982) using experimental data at 25–30 kbar. When the thermometer is applied to pelites regionally metamorphosed at pressures of between 3 and 7 kbar it yields temperatures much higher than those from the garnet–biotite thermometer. A new empirical calibration is proposed for use with such rocks, with particular application where garnet occurs at lower grades than biotite. The new calibration is where K is given by: In K= In Kd and Xii are mole fractions in the garnets.The calibration was derived from comparison with the garnet–biotite thermometer of Ferry & Spear (1978), assuming no pressure-dependence for the partitioning between garnet and muscovite, no ferric iron partitioning, ideal mixing in muscovite, and the garnet mixing model of Ganguly & Saxena (1984) modified for a non-linear Ca effect. This latter garnet mixing model was selected because it gave the geologically most reasonable results. It has not proved possible to distinguish a pressure effect from a ferric-iron effect.Despite the simplifying assumptions used to derive the calibration, it yields temperatures generally within 15°C of those given by the garnet–biotite thermometer, and has been used to supply thermometric data in a low-grade region of the Canadian Rockies.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1988.tb00422.x
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  • 92
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    Local and regional differences in the chemical potential of water in amphibolite facies pelitic schists (1988)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 6 (1988), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract Mineral assemblages in different samples of amphibolite facies pelitic schists collected from two separate outcrops in the Moosilauke area, NH, record differences in the chemical potential of water during metamorphism. Mineralogical, petrological, and field relations indicate that mineral assemblages at both outcrops equilibrated at 520°C and 3.5–4.0 kbar. Thermodynamic analysis of the mineral assemblages demonstrates that maximum chemical potential differences at each outcrop were of the order of 150 calories, over distances of 10–20 m.The differences in the chemical potential of water recorded in both bed-to-bed and outcrop-to-outcrop relations are consistent with the following conclusions: (1) mineral assemblages on a specific outcrop did not equilibrate with an external reservoir of fluid of fixed composition, (2) the relatively small magnitude of the chemical potential differences suggests little or no infiltration of externally derived fluid, (3) these differences on the outcrop scale are probably related to initial compositional variations and the buffer capacity of the mineral assemblage, and (4) the different values of the chemical potential of water exhibited by the various mineral assemblages permits an understanding of the effects of variable μH2O for amphibolite facies pelitic schists.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1988.tb00426.x
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  • 93
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    Garnet–chloritoid equilibria in eclogitic pelitic rocks from the Sesia zone (Western Alps): their bearing on phase relations in high pressure metapelites (1988)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 6 (1988), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract A detailed study of garnet–chloritoid micaschists fom the Sesia zone (Western Alps) is used to constrain phase relations in high pressure (HP) metapelitic rocks. In addition to quartz, phengite, paragonite and rutile, the micaschists display two distinct parageneses, namely garnet + chloritoid + chlorite and garnet + chloritoid + kyanite. Talc has never been observed. Garnet and chloritoid are more magnesian when chlorite is present instead of kyanite. The distinction of the two equilibria results from different bulk rock chemistries, not from P–T conditions or redox state. Estimated P–T conditions for the eclogitic metamorphism are 550–600°C, 15–18 kbar.The presence of primary chlorite in association with garnet and chloritoid leads us to construct two possible AFM topologies for the Sesia metapelites. The paper describes a KFMASH multisystem for HP pelitic rocks, which extends the grid of Harte & Hudson (1979) towards higher pressures and adds the phase talc. Observed parageneses in HP metapelites are consistent with predicted phase relations. Critical associations are Gt–Ctd–Chl and Gt–Ctd–Ky at relatively low temperatures and Gl–Chl–Ky and Gt–Tc–Ky at relatively high temperatures.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1988.tb00413.x
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  • 94
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    Sequential growth of cordierite and andalusite porphyroblasts, Cooma Complex, Australia: microstructural evidence of a prograde reaction (1988)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 6 (1988), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract Low-pressure prograde metamorphism of pelitic rocks in the Cooma Complex, south-east Australia, has produced cordierite-andalusite schists at intermediate grades. The first foliation (S1) is preserved largely as inclusion trails in cordierite porphyroblasts. Microstructural evidence indicates that the cordierite porphyroblasts grew during the early stages of development of a crenulation-foliation (S2) and that andalusite porphyroblasts grew during the development of a later crenulation-foliation (S3). Microstructural evidence also indicates that the andalusite was a product of the prograde reaction: cordierite + muscovite ± andalusite + biotite + quartz. The occurrence of the products of this reaction in ‘beard’structures between cordierite microboudins formed by extension in S3 confirms that the andalusite grew during the development of S3. The investigation shows that porphyroblast-matrix relationships can preserve the orientation of an early S-surface that has been largely obliterated from the matrix, as well as providing relatively direct evidence of sequential mineral growth and metamorphic reactions.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1988.tb00418.x
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  • 95
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    Metagabbro and associated eclogites in the Lubrin area, Nevado-Filabride Complex, Spain (1987)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 5 (1987), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract Several small bodies of metabasite (maximum dimensions of 1000 m x 500 m) are included in the metamorphic rocks of the Nevado-Filabride Complex in the Betic Cordilleras (Almeria Region). The body of 400 m x 100 m, located 200 m due west of the Lubrin village, contains troctolitic gabbro with well-preserved igneous textures and mineral compositions, wholly amphibolitized gabbro, garnet-bearing metagabbro eclogite. Along with the textural and mineral changes, sensible and regular geochemical variations can be observed, where the content of MgO decreases from 24% to 11%, while that of CaO and Na2O increases from 7% to 11% and from 2% to 3%, respectively. In addition, the content of some minor elements such as Sr, Y, Nb, Zr and Sc increases while that of Ni and Cr decreases from troctolitic gabbro to the eclogite. The amphibolitized gabbro shows values scattered around those of the troctolitic gabbro. These geochemical variations are ascribed to inherited differences in the pre-metamorphic protolith, i.e. a fractionated gabbro which varies from olivine-rich to clinopyroxene-rich gabbro. Nevertheless, some metasomatism affected the Lubrin body without changing the main chemical trends, as documented by the significantly different 87Sr/86Sr ratios of each rock-type. This points to a metasomatism which involved the introduction of crustal radiogenic strontium. The petrographical and mineral chemical features are interpreted to be the result of syn-metamorphic fluid circulation possibly combined with deformation by shearing. The igneous texture and mineral chemistry have been retained wherever both fluid circulation and shearing were ineffective. On the contrary, where both events were effective, the formation of eclogite occurred. Later, the entire body underwent a retrogressive amphi-bolitic stage under greenschist facies conditions, which was probably responsible for the formation of the amphibolitized gabbro portion and for the retrogression of the eclogite.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1987.tb00377.x
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  • 96
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    Wollastonite and scapolite in Precambrian calc-silicate granulites from Australia and Antarctica (1987)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 5 (1987), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract Scapolite, wollastonite, calcite, diopside, grossular-andradite garnet and sphene occur in calc-silicate rocks in the granulite terrain of the Arunta Block, central Australia. This assemblage buffers the CO2 activity at a low value, so that any coexisting fluid phase must be H2O rich and CO2 poor (Xco2= 0.2-0.3). In contrast, the H2O activity in the surrounding felsic and mafic granulites was low. Thus fluid activities during granulite facies metamorphism were locally buffered in various rock units and fluid flow appears to have been restricted or fluid may have been absent. Late retrograde rims of garnet and garnet-quartz separate phases formed in the high-grade stage. Formation of these rims would have required either an influx of water-rich fluid or a decrease in pressure. Evidence from the surrounding granulites shows that in one locality, the calc-silicate rocks had undergone late isobaric hydration; in another locality, minor uplift had occurred soon after peak P-T conditions. In both, scapolite had partly broken down to plagioclase-calite. A calc silicate rock from the granulite terrain of Enderby Land, Antarctica, contains scapolite, wollastonite, calcite, diopside, quartz and sphene; this assemblage also indicates low CO2 activities. In this rock, wollastonite has broken down to calcite-quartz, to indicate isobaric cooling without influx of hydrous fluid.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1987.tb00380.x
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  • 97
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    Chloritoid-bearing rocks associated with blueschists and eclogites, northern New Caledonia (1987)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 5 (1987), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract Chloritoid-bearing metasedimentary rocks occur in close proximity to blueschists and eclogites in the Tertiary high-pressure metamorphic belt of northern New Caledonia. The typical assemblage of chloritoid-bearing rocks in the epidote zone is quartzchlorite-muscovite-garnet-chloritoid. In the omphacite zone, epidote is an additional member of the chloritoid-bearing assemblage. Paragonite is rare, plagioclase was not detected, and rutile and ilmenite are the Fe-Ti oxide phases. Chloritoid-glaucophane is not a common assemblage. Chloritoid-bearing rocks have relatively low (Ca+K+Na)/Al ratios and the chloritoids are relatively Mg-rich with Mg/ (Mg+Fe) up to about 0.4. A comparison of the mineral assemblages and mineral chemistry with experimental and computed phase equilibria suggest an upper temperature limit near 560° C in the omphacite zone and a minimum temperature limit near 450° C at 10 kbar. An empirical garnet-chlorite Fe-Mg exchange thermometer does not yield consistent results for the higher-grade rocks, suggesting Ts ranging from 390 to 535° C in the omphacite zone and 420–465° C in the epidote zone. The distribution coefficient KD= (Fe/Mg)ctd/(Fe/Mg)chl for chloritoid and chlorite ranges from 3.9 to 6.4, values which are lower than those (=10) from lower greenschist facies rocks, but are near those of upper greenschist facies and albite-epidote amphibolite facies.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1987.tb00382.x
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  • 98
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    P-T grids for silica-undersaturated granulites in the systems MAS (n+ 4) and FMAS (n+ 3)-tools for the derivation of P-T paths of metamorphism (1987)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 5 (1987), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract Considering the minerals cordierite (Cd), sapphirine (Sa), hypersthene (Hy), garnet (Ga), spinel (Sp), sillimanite (Si) and corundum (Co) in the system FeO-MgO-Al2O3-SiO2 (FMAS), the stable invariant points are [Co], [Ga], [Cd] and [Sa]. Constraints imposed by experimental data for the system MAS indicate that under low PH2o conditions the invariant points occur at high temperature (〉 900° C) and intermediate pressure (7-10 kbar). This temperature is higher than that commonly advocated for granulite facies metamorphism. In granulites Fe-Mg exchange geothermometers may yield temperatures of 100–150° C below peak metamorphic conditions and evidence for peak temperatures is best preserved by relict high-temperature assemblages and by Al-rich cores in orthopyroxene. Application of the FMAS grid to some well-documented granulite occurrences introduces important constraints on their P-T histories. Rocks of different bulk compositions, occurring in close proximity in the field, may record distinct segments of their P-T paths. This applies particularly to rocks with evidence for reaction in the form of coronas, symplectites and zoned minerals. Consideration of curved reaction boundaries and XMs isopleths may explain apparently contradictory results for the stability of cordierite obtained from low-temperature experiments and thermochemical calculations on the one hand and hightemperature experimental data on the other.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1987.tb00383.x
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  • 99
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    A reconnaissance study of the distribution of Ba, Nb, Y, and Zr in some Jotun kindred gneisses from Central Jotunheimen, southern Norway (1987)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 5 (1987), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract The Bergen-Jotun kindred rocks of this study, the Storådalen Complex (SCX), Svartdalen Gneiss (SG) and Mjølkedøla Purple Gabbro (MPG), have been shown to be a co-magmatic series with calc-alkaline affinities. The analyses of Ba, Nb, Y, and Zr presented here show no variation in these elements between the three rock units and are consistent with the calc-alkaline character of the rocks. The lithophile elements Ba, K, and Sr are enriched relative to MORB and the high field strength elements Nb, Y, and Zr are depleted relative to MORB, Zr especially so.The SCX contains rocks with low (〉30) differentiation indices which are interpreted as plagioclase + pyroxene ± olivine ± amphibole cumulates. The remainder of the SCX, together with the MPG and SG, is regarded as the congealed liquid in equilibrium with these cumulates. The distribution of trace elements between these two components of the SCX can be adequately modelled using a Rayleigh fractionation process, measured ‘liquid’compositions, and calculated bulk distribution coefficients. It is thus concluded that the trace element geochemistry of the rocks of this study is consistent with subduction-related, mantle-derived magmas that fractionate within a continental or mature island arc environment. Subsequent high-grade metamorphism and deformation of Sveconorwegian age have been essentially isochemical.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1987.tb00368.x
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  • 100
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    Late Proterozoic High-pressure granulite facies meta-morphism in the north-east Ox inlier, north-west Ireland (1987)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 5 (1987), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract High-pressure granulite-facies gneisses in the NE Ox inlier in NW Ireland have undergone extensive Caledonian retrogression. In the local area of Slishwood, however, reworking was negligible and the gneisses (psammites, semipelites, pelites, metabasites and ultramafites) preserve evidence of P–T changes at high grade which mainly post-date pre-Caledonian polyphase deformation. Temperatures reached 850–900°C (based on garnet-clinopyroxene geothermometry and the presence of mesoperthite) during and after decompression from earlier eclogite-facies conditions (inferred from textural evidence of plagioclase release in sieve-textured augite). Subsequent cooling at high pressure is inferred from the unequivocal replacement of sillimanite by kyanite.A Sm–Nd mineral isochron (gt–cpx–plag–WR) of 605 ± 37 Ma is taken to date a point on the cooling path, and confirms the hitherto suspected pre-Caledonian age of the high-grade metamorphism. Geochemical and Sm–Nd isotopic data indicate that the protoliths were probably late Proterozoic arkosic sediments and tholeiites. Following metamorphism they apparently came to reside near the base of the crust where they slowly cooled. The eventual exhumation of these gneisses is attributed to Caledonian crustal imbrication, followed by rapid isostatic recovery.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1987.tb00370.x
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