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  • Blackwell Publishing Ltd  (21,301)
  • American Geophysical Union  (13,777)
  • Annual Reviews
  • International Union of Crystallography
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  • 1
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    Skillful long-lead prediction of summertime heavy rainfall in the US Midwest from sea surface salinity (2022)
    American Geophysical Union
    Details
    Publication Date: 2023-01-07
    Description: Author Posting. © American Geophysical Union, 2022. This article is posted here by permission of American Geophysical Union for personal use, not for redistribution. The definitive version was published in Geophysical Research Letters 49(13), (2022): e2022GL098554, https://doi.org/10.1029/2022GL098554.
    Description: Summertime heavy rainfall and its resultant floods are among the most harmful natural hazards in the US Midwest, one of the world's primary crop production areas. However, seasonal forecasts of heavy rain, currently based on preseason sea surface temperature anomalies (SSTAs), remain unsatisfactory. Here, we present evidence that sea surface salinity anomalies (SSSAs) over the tropical western Pacific and subtropical North Atlantic are skillful predictors of summer time heavy rainfall one season ahead. A one standard deviation change in tropical western Pacific SSSA is associated with a 1.8 mm day−1 increase in local precipitation, which excites a teleconnection pattern to extratropical North Pacific. Via extratropical air-sea interaction and long memory of midlatitude SSTA, a wave train favorable for US Midwest heavy rain is induced. Combined with soil moisture feedbacks bridging the springtime North Atlantic salinity, the SSSA-based statistical prediction model improves Midwest heavy rainfall forecasts by 92%, complementing existing SSTA-based frameworks.
    Description: This study is supported by the NSF PREEVENTS program under ICER-1663138 (LL) and ICER-1663704 (RWS and CCU).
    Description: 2023-01-07
    Keywords: Sea surface salinity ; Midwest precipitation ; Heavy rainfall ; Long-lead prediction
    Repository Name: Woods Hole Open Access Server
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  • 2
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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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  • 3
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    Contributions of different sea-level processes to high-tide flooding along the US coastline (2022)
    American Geophysical Union
    Details
    Publication Date: 2023-01-14
    Description: Author Posting. © American Geophysical Union, 2022. This article is posted here by permission of American Geophysical Union for personal use, not for redistribution. The definitive version was published in Journal of Geophysical Research: Oceans 127(7), (2022): e2021JC018276, https://doi.org/10.1029/2021JC018276.
    Description: Coastal communities across the United States (U.S.) are experiencing an increase in the frequency of high-tide flooding (HTF). This increase is mainly due to sea-level rise (SLR), but other factors such as intra- to inter-annual mean sea level variability, tidal anomalies, and non-tidal residuals also contribute to HTF events. Here we introduce a novel decomposition approach to develop and then analyze a new database of different sea-level components. Those components represent processes that act on various timescales to contribute to HTF along the U.S. coastline. We find that the relative importance of components to HTF events strongly varies in space and time. Tidal anomalies contribute the most along the west and northeast coasts, where HTF events mostly occur in winter. Non-tidal residuals are most important along the Gulf of Mexico and mid-Atlantic coasts, where HTF events mostly occur in fall. We also quantify the minimum number of components that were required to cause HTF events in the past and how this number changed over time. The results highlight that at present, due to SLR, fewer components are needed to combine to push water levels above HTF thresholds, but tidal anomalies alone are still not sufficient to reach HTF thresholds in most locations. Finally, we explore how co-variability between different components leads to compounding effects. In some places, positive correlation between sea-level components leads to significantly more HTF events than would be expected if sea-level components were uncorrelated, whereas in other places negative correlation leads to fewer HTF events.
    Description: his work was supported by NASA's Sea Level Change Team award number 80NSSC20K1241. S.L. also acknowledges support by the China Scholarship Council (no. 201904910413) and the Ministry of Science and Technology of the People's Republic of China (grant no. 2011YQ120045).
    Description: 2023-01-14
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  • 4
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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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  • 5
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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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  • 6
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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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  • 7
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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
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  • 8
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    Using diffraction losses of X‐rays in a single crystal for determination of its lattice parameters as well as for monochromator calibration (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-12-04
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉A way has been developed to measure the unit‐cell parameters of a single crystal just from an energy scan with X‐rays, even when the exact energy of the X‐rays is not well defined due to an error in the pitch angle of the monochromator. The precision of this measurement reaches 〈italic〉da〈/italic〉/〈italic〉a〈/italic〉 ∼ 1 × 10〈sup〉−5〈/sup〉. The method is based on the analysis of diffraction losses of the beam, transmitted through a single crystal (the so‐called `glitch effect'). This method can be easily applied to any transmissive X‐ray optical element made of single crystals (for example, X‐ray lenses). The only requirements are the possibility to change the energy of the generated X‐ray beam and some intensity monitor to measure the transmitted intensity. The method is agnostic to the error in the monochromator tuning and it can even be used for determination of the absolute pitch (or 2gθ) angle of the monochromator. Applying the same method to a crystal with well known lattice parameters allows determination of the exact cell parameters of the monochromator at any energy.〈/p〉
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉Diffraction losses (glitches) at certain energies of the X‐ray beam, transmitted through a single crystal, can be used for lattice parameters determination as well as for calibrating the monochromator (absolute pitch angle and the unit‐cell parameter).〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005775:jsy2ay5590:jsy2ay5590-fig-0001"〉 〈alt-text〉image〈/alt-text〉 〈/graphic〉〈/boxed-text〉〈/p〉
    Keywords: ddc:548 ; X‐ray glitches ; diffraction losses ; unit‐cell parameter ; single‐crystal X‐ray optics ; monochromator calibration
    Language: English
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  • 9
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    Seismic imaging of Dante’s Domes oceanic core complex from streamer waveform inversion and reverse time migration (2023)
    American Geophysical Union
    Details
    Publication Date: 2023-02-25
    Description: Author Posting. © American Geophysical Union, 2022. This article is posted here by permission of American Geophysical Union for personal use, not for redistribution. The definitive version was published in Journal of Geophysical Research: Solid Earth 127(8), (2022): e2021JB023814, https://doi.org/10.1029/2021jb023814.
    Description: Early arrival traveltime tomography and full waveform inversion were conducted on downward continued streamer seismic data at Dante's Domes oceanic core complex (OCC), providing unprecedented details of shallow P wave velocity structure. Together with reverse time migration images, seafloor morphology, in situ geological samples, magnetic and gravity data, the seismic constraints are used to infer the lithological distribution along the seismic profiles. Based on the striking similarity in velocity structure beneath the corrugated domes with other OCCs and drilling results from Atlantis Massif, we confidently reconfirmed the Southern Dome as dominantly gabbroic rocks, and the Northern Dome as serpentinized peridotites. A series of isolated gabbroic bodies embedded in the diabase and basaltic layers is observed in the breakaway zone, suggesting that the initiation of Dante's Domes OCC occurred over a long period during which there were several failed attempts to form a long-lived detachment fault. This early development of the OCC probably occurred under a regime of alternating magma starvation and magma replenishment. The predominantly gabbroic section, beneath the Southern Dome and extending to termination, indicates the OCC has been created with relatively high magma flux. We also imaged distinct shallow subseafloor reflections which are also termed as D reflectors underneath the corrugated domes. The location of the D reflectors is similar to those in the Atlantis Massif, with depths well correlated with the top of exhumed gabbroic bodies and the discontinuities in the D reflectors between gabbroic bodies. Our findings contribute to the understanding of processes controlling the OCCs initiation and evolution at slow spreading ridges.
    Description: This research was supported by the National Natural Science Foundation of China (91858207), Key Special Project for Introduced Talents Team of Southern Marine Science and Engineering Guangdong Laboratory (GML2019ZD0205), and Guangdong Basic and Applied Basic Research Foundation (2021B1515020023). M. X. acknowledges support from Special Foundation for National Science and Technology Basic Research Program of China (2018FY100505), Guangdong NSF research team project (2017A030312002), K. C. Wong Education Foundation (GJTD-2018-13), and the Chinese Academy of Sciences (Y4SL021001, QYZDY-SSWDQC005, 133244KYSB20180029, 131551KYSB20200021, and ISEE2021PY03). J. P. C. acknowledges support from the Independent Research and Development Program at WHOI.
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  • 10
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    Spatial variability of movement, structure, and formation of Warm Core Rings in the Northwest Atlantic Slope Sea (2023)
    American Geophysical Union
    Details
    Publication Date: 2023-02-25
    Description: Author Posting. © American Geophysical Union, 2022. This article is posted here by permission of American Geophysical Union for personal use, not for redistribution. The definitive version was published in Journal of Geophysical Research: Oceans 127(8),(2022): e2022JC018737, https://doi.org/10.1029/2022jc018737.
    Description: Gulf Stream Warm Core Rings (WCRs) have important influences on the New England Shelf and marine ecosystems. A 10-year (2011–2020) WCR dataset that tracks weekly WCR locations and surface areas is used here to identify the rings' path and characterize their movement between 55 and 75°W. The WCR dataset reveals a very narrow band between 66 and 71°W along which rings travel almost due west along ∼39°N across isobaths – the “Ring Corridor.” Then, west of the corridor, the mean path turns southwestward, paralleling the shelfbreak. The average ring translation speed along the mean path is 5.9 cm s−1. Long-lived rings (lifespan 〉150 days) tend to occupy the region west of the New England Seamount Chain (NESC) whereas short-lived rings (lifespan 〈150 days) tend to be more broadly distributed. WCR vertical structures, analyzed using available Argo float profiles indicate that rings that are formed to the west of the NESC have shallower thermoclines than those formed to the east. This tendency may be due to different WCR formation processes that are observed to occur along different sections of the Gulf Stream. WCRs formed to the east of the NESC tend to form from a pinch-off mechanism incorporating cores of Sargasso Sea water and a perimeter of Gulf Stream water. WCRs that form to the west of the NESC, form from a process called an aneurysm. WCRs formed through aneurysms comprise water mostly from the northern half of the Gulf Stream and are smaller than the classic pinch-off rings.
    Description: AS and AG are grateful for financial support from NOAA (NA11NOS0120038), NSF (OCE-1851242 and OCE-2123283), SMAST, and UMass Dartmouth. GG was supported by NSF under grant OCE-1657853. MA was supported by NSF under grant OCE-2122726 and by ONR under grant N00014-22-1-2112.
    Keywords: Gulf Stream ; Warm core rings ; Trajectories ; Eddies ; Aneurysm ; Ring formation
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  • 11
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    Eruption rates, tempo, and stratigraphy of Paleocene flood basalts on Baffin Island, Canada (2023)
    American Geophysical Union
    Details
    Publication Date: 2023-02-25
    Description: © The Author(s), 2022. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Biasi, J., Asimow, P., Horton, F., & Boyes, X. Eruption rates, tempo, and stratigraphy of Paleocene flood basalts on Baffin Island, Canada. Geochemistry, Geophysics, Geosystems, 23(9), (2022): e2021GC010172, https://doi.org/10.1029/2021gc010172.
    Description: High-temperature melting in mantle plumes produces voluminous eruptions that are often temporally coincident with mass extinctions. Paleocene Baffin Island lavas—products of early Iceland mantle plume activity—are exceptionally well characterized geochemically but have poorly constrained stratigraphy, geochronology, and eruptive tempos. To provide better geologic context, we measured seven stratigraphic sections of the volcanic deposits and collected paleomagnetic data from 38 sites in the lavas and underlying Cretaceous sediments (Quqaluit Fm.). The average paleomagnetic pole from this study does not overlap with the expected pole for a stable North American locality at 60 Ma, yet the data have sufficient dispersion to average out secular variation. After ruling out other possibilities, we find that the picrites were probably erupted during a polarity transition, over less than 5 kyr. If so, the average eruption interval was ∼67 years per flow for the thickest sequence of exposed lavas. We also calculate that the flood basalts had a minimum total volume of ∼176 km3 (excluding submerged lavas in Baffin Bay). This implies a minimum eruption rate of ∼0.035 km3 yr−1, which is similar to rates found in West Greenland lavas but less than rates found in larger flood basalts. Despite this, the Baffin and West Greenland lavas temporally correlate with the “End C27n event” (a period of ∼2°C global warming) and may be its underlying cause.
    Description: his work was supported by the National Science Foundation (award #1911699 to F. Horton and award #2052963 to J. Biasi), Woods Hole Oceanographic Institution (WHOI) Andrew W. Mellon Foundation Endowed Fund for Innovative Research, a National Geographic Society grant (#CP4-144R-18), and internal funding from the Caltech Geological and Planetary Sciences Division.
    Keywords: Baffin island ; North Atlantic ; Flood basalt ; Paleomagnetism ; Volcanology ; Secular variation
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  • 12
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    Carbonation of serpentinite in creeping faults of California (2023)
    American Geophysical Union
    Details
    Publication Date: 2023-02-21
    Description: Author Posting. © American Geophysical Union, 2022. This article is posted here by permission of American Geophysical Union for personal use, not for redistribution. The definitive version was published in Geophysical Research Letters 49(15), (2022): e2022GL099185, https://doi.org/10.1029/2022gl099185.
    Description: Several large strike slip faults in central and northern California accommodate plate motions through aseismic creep. Although there is no consensus regarding the underlying cause of aseismic creep, aqueous fluids and mechanically weak, velocity-strengthening minerals appear to play a central role. This study integrates field observations and thermodynamic modeling to examine possible relationships between the occurrence of serpentinite, silica-carbonate rock, and CO2-rich aqueous fluids in creeping faults of California. Our models predict that carbonation of serpentinite leads to the formation of talc and magnesite, followed by silica-carbonate rock. While abundant exposures of silica-carbonate rock indicate complete carbonation, serpentinite-hosted CO2-rich spring fluids are strongly supersaturated with talc at elevated temperatures. Hence, carbonation of serpentinite is likely ongoing in parts of the San Andres Fault system and operates in conjunction with other modes of talc formation that may further enhance the potential for aseismic creep, thereby limiting the potential for large earthquakes.
    Description: This work was supported by National Science Foundation (NSF) grants NSF-EAR-1220280 to F. K. and J. L., NSF-EAR-1219908 to D. G., and NSF-OCE-2001728 to J. L.
    Keywords: Mineral carbonation ; Serpentinite ; Talc ; CO2 ; Aseismic creep ; San Andreas Fault
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  • 13
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    Does sea spray aerosol contribute significantly to aerosol trace element loading? a case study from the US GEOTRACES Pacific Meridional Transect (GP15) (2023)
    American Geophysical Union
    Details
    Publication Date: 2023-02-21
    Description: © The Author(s), 2022. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Marsay, C. M., Landing, W. M., Umstead, D., Till, C. P., Freiberger, R., Fitzsimmons, J. N., Lanning, N. T., Shiller, A. M., Hatta, M., Chmiel, R., Saito, M., & Buck, C. S. Does sea spray aerosol contribute significantly to aerosol trace element loading? a case study from the US GEOTRACES Pacific Meridional Transect (GP15). Global Biogeochemical Cycles, 36(8), (2022): e2022GB007416. https://doi.org/10.1029/2022GB007416.
    Description: Atmospheric deposition represents a major input for micronutrient trace elements (TEs) to the surface ocean and is often quantified indirectly through measurements of aerosol TE concentrations. Sea spray aerosol (SSA) dominates aerosol mass concentration over much of the global ocean, but few studies have assessed its contribution to aerosol TE loading, which could result in overestimates of “new” TE inputs. Low-mineral aerosol concentrations measured during the U.S. GEOTRACES Pacific Meridional Transect (GP15; 152°W, 56°N to 20°S), along with concurrent towfish sampling of surface seawater, provided an opportunity to investigate this aspect of TE biogeochemical cycling. Central Pacific Ocean surface seawater Al, V, Mn, Fe, Co, Ni, Cu, Zn, and Pb concentrations were combined with aerosol Na data to calculate a “recycled” SSA contribution to aerosol TE loading. Only vanadium was calculated to have a SSA contribution averaging 〉1% along the transect (mean of 1.5%). We derive scaling factors from previous studies on TE enrichments in the sea surface microlayer and in freshly produced SSA to assess the broader potential for SSA contributions to aerosol TE loading. Maximum applied scaling factors suggest that SSA could contribute significantly to the aerosol loading of some elements (notably V, Cu, and Pb), while for others (e.g., Fe and Al), SSA contributions largely remained 〈1%. Our study highlights that a lack of focused measurements of TEs in SSA limits our ability to quantify this component of marine aerosol loading and the associated potential for overestimating new TE inputs from atmospheric deposition.
    Description: This research was supported by the National Science Foundation (NSF) grants OCE-1756103 to C. S. Buck, OCE-1756104 to W. M. Landing, OCE-1737024 to A.M. Shiller, OCE-1736906 to M. Hatta, OCE-1736875 to C. P. Till, OCE-1737167 to J. N. Fitzsimmons, and OCE-1736599 to M. Saito. In addition, N. T. Lanning was supported by the NSF Graduate Research Fellowship Program award 1746932.
    Keywords: Aerosols ; Trace elements ; GEOTRACES ; Sea spray aerosol ; Pacific Ocean
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  • 14
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    Using misorientation and weighted burgers vector statistics to understand intragranular boundary development and grain boundary formation at high temperatures (2023)
    American Geophysical Union
    Details
    Publication Date: 2023-02-21
    Description: Author Posting. © American Geophysical Union, 2022. This article is posted here by permission of American Geophysical Union for personal use, not for redistribution. The definitive version was published in Journal of Geophysical Research: Solid Earth 127(8), (2022): e2022JB024497, https://doi.org/10.1029/2022JB024497.
    Description: During plastic deformation, strain weakening can be achieved, in part, via strain energy reduction associated with intragranular boundary development and grain boundary formation. Grain boundaries (in 2D) are segments between triple junctions, that connect to encircle grains; every boundary segment in the encircling loop has a high (〉10°) misorientation angle. Intragranular boundaries terminate within grains or dissect grains, usually containing boundary segments with a low (〈10°) misorientation angle. We analyze electron backscatter diffraction (EBSD) data from ice deformed at −30°C (Th≈ 0.9). Misorientation and weighted Burgers vector (WBV) statistics are calculated along planar intragranular boundaries. Misorientation angles change markedly along each intragranular boundary, linking low- (〈10°) and high-angle (10–38°) segments that exhibit distinct misorientation axes and WBV directions. We suggest that these boundaries might be produced by the growth and intersection of individual intragranular boundary segments comprising dislocations with distinct slip systems. There is a fundamental difference between misorientation axis distributions of intragranular boundaries (misorientation axes mostly confined to ice basal plane) and grain boundaries (no preferred misorientation axis). These observations suggest during progressive subgrain rotation, intragranular boundaries remain crystallographically controlled up to large misorientation angles (〉〉10°). In contrast, the apparent lack of crystallographic control for grain boundaries suggests misorientation axes become randomized, likely due to the activation of additional mechanisms (such as grain boundary sliding) after grain boundary formation, linking boundary segments to encircle a grain. Our findings on ice intragranular boundary development and grain boundary formation may apply more broadly to other rock-forming minerals (e.g., olivine, quartz).
    Description: This work was supported by a NASA fund (Grant No. NNX15AM69G) to David L. Goldsby and two Marsden Funds of the Royal Society of New Zealand (Grant Nos. UOO1116, UOO052) to David J. Prior. Sheng Fan was supported by the University of Otago doctoral scholarship, the Antarctica New Zealand doctoral scholarship, a research grant from New Zealand Ministry of Business, Innovation and Employment through the Antarctic Science Platform (ANTA1801) (Grant No. ASP-023-03), and a New Zealand Antarctic Research Institute (NZARI) Early Career Researcher Seed Grant (Grant No. NZARI 2020-1-5). Open access publishing facilitated by University of Otago, as part of the Wiley – University of Otago agreement via the Council of Australian University Librarians.
    Keywords: High temperature deformation ; Misorientation ; Weighted Burgers vector ; Intragranular boundary ; Grain boundary ; Boundary geometry
    Repository Name: Woods Hole Open Access Server
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  • 15
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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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  • 16
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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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  • 17
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    Combining reverse Monte Carlo analysis of X‐ray scattering and extended X‐ray absorption fine structure spectra of very small nanoparticles (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-07-21
    Description: Finite size effects in partial pair distribution functions generate artefacts in the scattering structure factor and scattering intensity. It is shown how they can be overcome using a binned version of the Debye scattering equation. Accordingly, reverse Monte Carlo simulations are used for very small nanoparticles of LaFeO3 with diameters below 10 nm to simultaneously analyse X‐ray scattering data and extended X‐ray absorption fine structure spectra at the La K and Fe K edges. The structural information obtained is consistent regarding local structure and long‐range order.
    Description: Computing scattering intensity using the Debye scattering equation after binning interatomic distances avoids finite size artefacts and is efficient enough for simultaneous refinement of scattering data and extended X‐ray absorption spectra by reverse Monte Carlo simulations.
    Keywords: ddc:548 ; extended X‐ray absorption fine structure ; EXAFS ; wide‐angle X‐ray scattering ; WAXS ; reverse Monte Carlo ; RMC ; nanocrystals ; LaFeO3
    Language: English
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  • 18
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    Use of electron backscatter diffraction patterns to determine the crystal lattice. Part 2. Offset corrections (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-07-21
    Description: A band width determination using the first derivative of the band profile systematically underestimates the true Bragg angle. Corrections are proposed to compensate for the resulting offset Δa/a of the mean lattice parameters derived from as many Kikuchi band widths as possible. For dynamically simulated Kikuchi patterns, Δa/a can reach up to 8% for phases with a high mean atomic number Z, whereas for much more common low‐Z materials the offset decreases linearly. A predicted offset Δa/a = f(Z) is therefore proposed, which also includes the unit‐cell volume and thus takes into account the packing density of the scatterers in the material. Since Z is not always available for unknown phases, its substitution by Zmax, i.e. the atomic number of the heaviest element in the compound, is still acceptable for an approximate correction. For simulated Kikuchi patterns the offset‐corrected lattice parameter deviation is Δa/a 〈 1.5%. The lattice parameter ratios, and the angles α, β and γ between the basis vectors, are not affected at all.
    Description: Automatically determined band widths in simulated backscatter Kikuchi patterns exhibit differences from the double Bragg angles that correlate with the scatterer density. Corrections are proposed to compensate for this.
    Keywords: ddc:548 ; mean atomic number ; Kikuchi patterns ; lattice parameters ; automated Bragg angle determination ; lattice parameter determination ; dynamical theory of electron diffraction ; electron backscatter diffraction ; Funk transform
    Language: English
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  • 19
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    POWTEX visits POWGEN (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-07-21
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉The high‐intensity time‐of‐flight (TOF) neutron diffractometer POWTEX for powder and texture analysis is currently being built prior to operation in the eastern guide hall of the research reactor FRM II at Garching close to Munich, Germany. Because of the world‐wide 〈sup〉3〈/sup〉He crisis in 2009, the authors promptly initiated the development of 〈sup〉3〈/sup〉He‐free detector alternatives that are tailor‐made for the requirements of large‐area diffractometers. Herein is reported the 2017 enterprise to operate one mounting unit of the final POWTEX detector on the neutron powder diffractometer POWGEN at the Spallation Neutron Source located at Oak Ridge National Laboratory, USA. As a result, presented here are the first angular‐ and wavelength‐dependent data from the POWTEX detector, unfortunately damaged by a 50〈italic〉g〈/italic〉 shock but still operating, as well as the efforts made both to characterize the transport damage and to successfully recalibrate the voxel positions in order to yield nonetheless reliable measurements. Also described is the current data reduction process using the 〈italic〉PowderReduceP2D〈/italic〉 algorithm implemented in 〈italic〉Mantid〈/italic〉 [Arnold 〈italic〉et al.〈/italic〉 (2014). 〈italic〉Nucl. Instrum. Methods Phys. Res. A〈/italic〉, 〈bold〉764〈/bold〉, 156–166]. The final part of the data treatment chain, namely a novel multi‐dimensional refinement using a modified version of the 〈italic〉GSAS‐II〈/italic〉 software suite [〈ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/paper?aj5212"〉Toby & Von Dreele (2013). 〈italic〉J. Appl. Cryst.〈/italic〉〈bold〉46〈/bold〉, 544–549〈/ext-link〉], is compared with a standard data treatment of the same event data conventionally reduced as TOF diffraction patterns and refined with the unmodified version of 〈italic〉GSAS‐II〈/italic〉. This involves both determining the instrumental resolution parameters using POWGEN's powdered diamond standard sample and the refinement of a friendly‐user sample, BaZn(NCN)〈sub〉2〈/sub〉. Although each structural parameter on its own looks similar upon comparing the conventional (1D) and multi‐dimensional (2D) treatments, also in terms of precision, a closer view shows small but possibly significant differences. For example, the somewhat suspicious proximity of the 〈italic〉a〈/italic〉 and 〈italic〉b〈/italic〉 lattice parameters of BaZn(NCN)〈sub〉2〈/sub〉 crystallizing in 〈italic〉Pbca〈/italic〉 as resulting from the 1D refinement (0.008 Å) is five times less pronounced in the 2D refinement (0.038 Å). Similar features are found when comparing bond lengths and bond angles, 〈italic〉e.g.〈/italic〉 the two N—C—N units are less differently bent in the 1D results (173 and 175°) than in the 2D results (167 and 173°). The results are of importance not only for POWTEX but also for other neutron TOF diffractometers with large‐area detectors, like POWGEN at the SNS or the future DREAM beamline at the European Spallation Source.〈/p〉
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉The first real‐world neutron diffraction data have been collected with one of the POWTEX detectors (FRM II, Garching, Germany) mounted for testing at the Spallation Neutron Source (Oak Ridge National Laboratory, USA). They allow for angular‐ and wavelength‐dispersive Rietveld refinement using a modified version of 〈italic〉GSAS‐II〈/italic〉.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005767:jcr2tu5033:jcr2tu5033-fig-0001"〉 〈/graphic〉〈/boxed-text〉〈/p〉
    Keywords: ddc:548 ; neutron detectors ; POWGEN beamline ; POWTEX detector ; DREAM beamline ; time‐of‐flight diffraction ; angular‐dispersive refinement ; wavelength‐dispersive refinement ; powder diffraction ; Rietveld refinement ; multi‐dimensional refinement
    Language: English
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  • 20
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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
    Language: English
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  • 21
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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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  • 22
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    Data reduction for X‐ray serial crystallography using machine learning (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
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    Publication Date: 2023-07-19
    Description: Serial crystallography experiments produce massive amounts of experimental data. Yet in spite of these large‐scale data sets, only a small percentage of the data are useful for downstream analysis. Thus, it is essential to differentiate reliably between acceptable data (hits) and unacceptable data (misses). To this end, a novel pipeline is proposed to categorize the data, which extracts features from the images, summarizes these features with the `bag of visual words' method and then classifies the images using machine learning. In addition, a novel study of various feature extractors and machine learning classifiers is presented, with the aim of finding the best feature extractor and machine learning classifier for serial crystallography data. The study reveals that the oriented FAST and rotated BRIEF (ORB) feature extractor with a multilayer perceptron classifier gives the best results. Finally, the ORB feature extractor with multilayer perceptron is evaluated on various data sets including both synthetic and experimental data, demonstrating superior performance compared with other feature extractors and classifiers.
    Description: A machine learning method for distinguishing good and bad images in serial crystallography is presented. To reduce the computational cost, this uses the oriented FAST and rotated BRIEF feature extraction method from computer vision to detect image features, followed by a multilayer perceptron (neural network) to classify the images.
    Keywords: ddc:548 ; serial crystallography ; data reduction ; machine learning ; feature extraction
    Language: English
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  • 23
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    Towards joint in situ determination of pressure and temperature in the large volume press exclusively from X‐ray diffraction (2023)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
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    Publication Date: 2023-07-19
    Description: Since high‐pressure devices have been used at synchrotron facilities, accurate determination of pressure and temperature in the sample has been a crucial objective, particularly for experiments that simulate the Earth's interior. However, in some cases using a thermocouple may have a high likelihood of failure or is incompatible with a high‐pressure assembly. To address these challenges and similar issues, we aim to expand a previously proposed solution: to jointly estimate pressure and temperature (〈italic〉PT〈/italic〉) through 〈italic〉in situ〈/italic〉 X‐ray diffraction, to cover a wider range of internal 〈italic〉PT〈/italic〉 calibrants tested over larger 〈italic〉PT〈/italic〉 ranges. A modifiable Python‐based software is offered to quickly obtain results. To achieve these aims, 〈italic〉in situ〈/italic〉 large volume press experiments are performed on pellets of intimately mixed powders of a halide (NaCl, KCl, KBr, CsCl) or MgO and a metal (Pt, Re, Mo, W, Ni) in the pressure range 3–11 GPa and temperature range 300–1800 K. Although the pressure range was chosen for practical reasons, it also covers an equally important depth range in the Earth (down to 350 km) for geoscience studies. A thermocouple was used to validate the 〈italic〉PT〈/italic〉 conditions in the cell assemblies. The key results show that choosing the appropriate calibrant materials and using a joint 〈italic〉PT〈/italic〉 estimation can yield surprisingly small uncertainties (〈italic〉i.e.〈/italic〉 〈±0.1 GPa and 〈±50 K). This development is expected to benefit current and future research at extreme conditions, as other materials with high compressibility or high thermal pressure, stable over large 〈italic〉PT〈/italic〉 ranges, may be discovered and used as 〈italic〉PT〈/italic〉 calibrants.〈/p〉
    Description: Research in high‐pressure devices, such as the diamond anvil cell and the large volume press, requires knowledge of the pressure and temperature in the sample. Here, a large volume press and an internal resistive heater were used to generate high load and heat to various combinations of intimately mixed powders of materials. X‐ray diffraction and custom software were used to jointly estimate the pressures and temperatures in the samples and establish calibrants for 〈italic〉in situ〈/italic〉 experiments at extreme conditions.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005775:jsy2vl5008:jsy2vl5008-fig-0001"〉
    Description: https://gitlab.desy.de/robert.farla/eoscross
    Keywords: ddc:548 ; equations of state ; X‐ray diffraction ; large volume press ; high pressure ; resistive heating
    Language: English
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  • 24
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    Monitoring volcanic activity through combined measurements of CO2 efflux and (222Rn) and (220Rn) in soil gas: an application to Mt. Etna (Italy) (2023)
    American Geophysical Union
    Details
    Publication Date: 2023-02-07
    Description: We present measurements of soil CO2 effluxes combined with soil (222Rn) and (220Rn) from two high-degassing areas on the lower flanks of Mt. Etna volcano (ZE-SV on the E flank and PAT on the SW flank). Measurements were conducted periodically from June 2006 to January 2009 in the ZE-SV area and January 2007 to January 2009 in the PAT area. The results showed significant variations in discharge activity and style. Log values of (220Rn)/(222Rn) and CO2 efflux generally follow a negative correlation, herein parameterized as the Soil Gas Disequilibrium Index (SGDI). Deviations of the SGDI from this negative correlation provide insight into variance of localized and shallow system conditions, namely rock fracturing, residual magma degassing, and near surface interactions between magmatic gases and groundwater. Statistical analysis highlighted signal anomalies, both negative and positive, that were modeled according to the physical properties and the modes of transport for each of the SGDI gas components. The revealed anomalies show correspondence with episodes of magma ascent and eruption, thereby demonstrating the potential of using the SGDI as another instrument for forecasting volcanic activity. An important strength of the SGDI, compared to other magma gas proxies like CO2 or SO2, is that the very short and very different half-lives of 222Rn (t1/2 = 3.85 days) and 220Rn (t1/2 = 55 seconds) provide unique information on the timescales of soil gas transport. Coupling the SGDI with other pre-eruptive proxies enhances the volcanological community’s response capabilities, which is critical for effective hazard mitigation.
    Description: Published
    Description: 167-202
    Description: 4V. Processi pre-eruttivi
    Keywords: Soil gases ; radon ; carbon dioxide ; volcano monitoring ; 04.08. Volcanology
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 25
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    Relative timing of off‐axis volcanism from sediment thickness estimates on the 8°20’N seamount chain, East Pacific Rise (2023)
    American Geophysical Union
    Details
    Publication Date: 2023-02-16
    Description: © The Author(s), 2022. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Fabbrizzi, A., Parnell‐Turner, R., Gregg, P., Fornari, D., Perfit, M., Wanless, V., & Anderson, M. Relative timing of off‐axis volcanism from sediment thickness estimates on the 8°20’N seamount chain, East Pacific Rise. Geochemistry, Geophysics, Geosystems, 23(9), (2022): e2022GC010335, https://doi.org/10.1029/2022gc010335.
    Description: Volcanic seamount chains on the flanks of mid-ocean ridges record variability in magmatic processes associated with mantle melting over several millions of years. However, the relative timing of magmatism on individual seamounts along a chain can be difficult to estimate without in situ sampling and is further hampered by Ar40/Ar39 dating limitations. The 8°20’N seamount chain extends ∼170 km west from the fast-spreading East Pacific Rise (EPR), north of and parallel to the western Siqueiros fracture zone. Here, we use multibeam bathymetric data to investigate relationships between abyssal hill formation and seamount volcanism, transform fault slip, and tectonic rotation. Near-bottom compressed high-intensity radiated pulse, bathymetric, and sidescan sonar data collected with the autonomous underwater vehicle Sentry are used to test the hypothesis that seamount volcanism is age-progressive along the seamount chain. Although sediment on seamount flanks is likely to be reworked by gravitational mass-wasting and current activity, bathymetric relief and Sentry vehicle heading analysis suggest that sedimentary accumulations on seamount summits are likely to be relatively pristine. Sediment thickness on the seamounts' summits does not increase linearly with nominal crustal age, as would be predicted if seamounts were constructed proximal to the EPR axis and then aged as the lithosphere cooled and subsided away from the ridge. The thickest sediments are found at the center of the chain, implying the most ancient volcanism there, rather than on seamounts furthest from the EPR. The nonlinear sediment thickness along the 8°20’N seamounts suggests that volcanism can persist off-axis for several million years.
    Description: This work was supported by National Science Foundation awards OCE-1356610, OCE-1356822, OCE-1357150, OCE-1754419, OCE-1834797, OCE-2001314, and OCE-2001331.
    Keywords: Off-axis seamounts ; East Pacific Rise ; Sediment thickness ; Seafloor morphology ; Autonomous underwater vehicle ; Eruption history
    Repository Name: Woods Hole Open Access Server
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  • 26
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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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    Size-differentiated export flux in different dynamical regimes in the ocean (2021)
    American Geophysical Union
    Details
    Publication Date: 2023-02-17
    Description: Author Posting. © American Geophysical Union, 2021. This article is posted here by permission of American Geophysical Union for personal use, not for redistribution. The definitive version was published in Global Biogeochemical Cycles 35(3), (2021): e2020GB006764, https://doi.org/10.1029/2020GB006764
    Description: Export of Particulate Organic Carbon (POC) is mainly driven by gravitational sinking. Thus, traditionally, it is thought that larger, faster-sinking particles make up most of the POC export flux. However, this need not be the case for particles whose sinking speeds are comparable to the vertical velocities of a dynamic flow field that can influence the descent rate of particles. Particles with different settling speeds are released in two process-oriented model simulations of an upper ocean eddying flow in the Northeast Pacific to evaluate the impact of (1) ocean dynamics on the respective contribution of the different sinking-velocity classes to POC export, and (2) the particle number size-spectrum slope. The analysis reveals that the leading export mechanism changes from gravitationally driven to advectively driven as submesoscale dynamics become more active in the region. The vertical velocity associated with submesoscale dynamics enhances the contribution of slower-sinking particles to POC export flux by a factor ranging from 3 to 10, especially where the relative abundance of small particles is large (i.e., steep particle size-spectrum slope). Remineralization generally decreases the total amount of biomass exported, but its impact is weaker in dynamical regimes where submesoscale dynamics are present and export is advectively driven. In an advectively driven export regime, remineralization processes counter-intuitively enhance the role of slower-sinking particles to the point where these slower-sinking velocity classes dominate the export, therefore challenging the traditional paradigm for POC export. This study demonstrates that slow-sinking particles can be a significant contribution, and at times, even dominate the export flux.
    Description: The work was funded by NASA grant NNX16AR48 G, to complement the EXport Processes in the global Ocean from RemoTe Sensing (EXPORTS) program.
    Description: 2021-08-17
    Keywords: Export ; Flux ; Particulate organic carbon ; Sinking rates ; Submeso-scales ; Vertical velocities
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    The influence of ocean topography on the upwelling of carbon in the Southern Ocean (2023)
    American Geophysical Union
    Details
    Publication Date: 2023-02-17
    Description: Author Posting. © American Geophysical Union, 2021. This article is posted here by permission of American Geophysical Union for personal use, not for redistribution. The definitive version was published in Geophysical Research Letters 48(19), (2021): e2021GL095088, https://doi.org/10.1029/2021GL095088.
    Description: The physical circulation of the Southern Ocean sets the surface concentration and thus air-sea exchange of CO2. However, we have a limited understanding of the three-dimensional circulation that brings deep carbon-rich waters to the surface. Here, we introduce and analyze a novel high-resolution ocean model simulation with active biogeochemistry and online Lagrangian particle tracking. We focus our attention on a subset of particles with high dissolved inorganic carbon (DIC) that originate below 1,000 m and eventually upwell into the near-surface layer (upper 200 m). We find that 71% of the DIC-enriched water upwelling across 1,000 m is concentrated near topographic features, which occupy just 33% of the Antarctic Circumpolar Current. Once particles upwell to the near-surface layer, they exhibit relatively uniform pCO2 levels and DIC decorrelation timescales, regardless of their origin. Our results show that Southern Ocean bathymetry plays a key role in delivering carbon-rich waters to the surface.
    Description: Riley X. Brady was supported by the Department of Energy's Computational Science Graduate Fellowship (DE-FG02-97ER25308), and particularly benefited from the fellowship's summer practicum at Los Alamos National Lab. Nicole S. Lovenduski and Riley X. Brady were further supported by the U.S. Department of Energy Biological and Environmental Research program (DE-SC0022243) and by the National Science Foundation (NSF-PLR 1543457; NSF-OCE 1924636; NSF-OCE 1752724; NSF-OCE 1558225). Mathew E. Maltrud and Phillip J. Wolfram were supported as part of the Energy Exascale Earth System Model (E3SM) project, funded by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research. This research used resources provided by the Los Alamos National Laboratory Institutional Computing Program, which is supported by the U.S. Department of Energy National Nuclear Security Administration under Contract No. 89233218CNA000001.
    Keywords: Southern Ocean ; Carbon cycle ; Upwelling ; Lagrangian modeling ; Ocean biogeochemistry ; Climate modeling
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    X‐ray diffraction with micrometre spatial resolution for highly absorbing samples (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-01-21
    Description: X‐ray diffraction with high spatial resolution is commonly used to characterize (poly)crystalline samples with, for example, respect to local strain, residual stress, grain boundaries and texture. However, the investigation of highly absorbing samples or the simultaneous assessment of high‐Z materials by X‐ray fluorescence have been limited due to the utilization of low photon energies. Here, a goniometer‐based setup implemented at the P06 beamline of PETRA III that allows for micrometre spatial resolution with a photon energy of 35 keV and above is reported. A highly focused beam was achieved by using compound refractive lenses, and high‐precision sample manipulation was enabled by a goniometer that allows up to 5D scans (three rotations and two translations). As experimental examples, the determination of local strain variations in martensitic steel samples with micrometre spatial resolution, as well as the simultaneous elemental distribution for high‐Z materials in a thin‐film solar cell, are demonstrated. The proposed approach allows users from the materials‐science community to determine micro‐structural properties even in highly absorbing samples.
    Description: A demonstration of high‐resolution micro X‐ray diffraction at high photon energies for highly absorbing samples.
    Keywords: ddc:548 ; X‐ray diffraction ; high spatial resolution ; high photon energy ; X‐ray fluorescence ; goniometers
    Language: English
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    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
    Language: English
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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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    Submarine groundwater discharge in the northern Bohai Sea, China: Implications for coastal carbon budgets and buffering capacity (2022)
    American Geophysical Union
    Details
    Publication Date: 2023-01-20
    Description: Author Posting. © American Geophysical Union, 2022. This article is posted here by permission of American Geophysical Union for personal use, not for redistribution. The definitive version was published in Journal of Geophysical Research: Biogeosciences 127(8), (2022): e2022JG006810, https://doi.org/10.1029/2022jg006810.
    Description: Submarine groundwater discharge (SGD) has been widely recognized as an important source of dissolved nutrients in coastal waters and affects nutrient biogeochemistry. In contrast, little information is available on SGD impacts on coastal carbon budgets. Here, we assessed the SGD and associated carbon (dissolved inorganic carbon [DIC] and total alkalinity [TA]) fluxes in Liaodong Bay (the largest bay of the Bohai Sea, China) and discussed their border implications for coastal DIC budget and buffering capacity. Based on 223Ra and 228Ra mass balance models, the SGD flux was estimated to be (0.92–1.43) × 109 m3 d−1. SGD was the largest contributor of DIC, accounting for 55%–77% of the total DIC sources. The low ratio (〈1) of SGD-derived TA to DIC fluxes and negative correlation between radium isotopes and pH in seawater implied that SGD would potentially reduce seawater pH in Liaodong Bay. Combining the groundwater carbon data in Liaodong Bay with literature data, we found that the SGD-derived DIC flux off China was 4–9 times greater than those from rivers. By analyzing the TA/DIC ratios in groundwater along the Chinese coast and related carbon fluxes, SGD was thought to partially reduce the CO2 buffer capacity in receiving seawater. These results obtained at the bay scale and national scale suggest that SGD is a significant component of carbon budget and may play a critical role in modulating coastal buffering capacity and atmospheric CO2 sequestration.
    Description: his research was supported by National Natural Science Foundation of China (Grant Nos. 42130703, 42007170) and the Science, Technology and Innovation Commission of Shenzhen (Grant No. 20200925174525002.
    Description: 2023-01-20
    Keywords: Submarine groundwater discharge ; Radium isotopes ; Dissolved inorganic carbon ; Total alkalinity ; Carbon budgets ; Buffering capacity
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    High‐resolution XEOL spectroscopy setup at the X‐ray absorption spectroscopy beamline P65 of PETRA III (2022)
    Levcenko, S. ; Biller, R. ; Pfeiffelmann, T. ; [et al.]
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-01-25
    Description: A newly designed setup to perform steady‐state X‐ray excited optical luminescence (XEOL) spectroscopy and simultaneous XEOL and X‐ray absorption spectroscopy characterization at beamline P65 of PETRA III is described. The XEOL setup is equipped with a He‐flow cryostat and state‐of‐the‐art optical detection system, which covers a wide wavelength range of 300–1700 nm with a high spectral resolution of 0.4 nm. To demonstrate the setup functioning, low‐temperature XEOL studies on polycrystalline CuInSe2 thin film, single‐crystalline GaN thin film and single‐crystalline ZnO bulk semiconductor samples are performed.
    Description: X‐ray excited optical luminescence (XEOL) spectroscopy is increasingly important to understand the interplay between the optical properties, structure and chemical composition, providing insights into the mechanism of radiative recombination for a wide range of materials. This study demonstrates a newly implemented setup to perform steady‐state XEOL and simultaneous XEOL and XAFS characterizations at beamline P65 of PETRA III.
    Keywords: ddc:550.2 ; XEOL ; XAS ; CuInSe2 ; ZnO ; GaN
    Language: English
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    Retrieving a “Weather Balloon” from the last Ice Age (2023)
    American Geophysical Union
    Details
    Publication Date: 2023-02-28
    Description: © The Author(s), 2022. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Seltzer, A. M., & Tyne, R. L. Retrieving a “Weather Balloon” from the last Ice Age. AGU Advances, 3(4), (2022): e2022AV000747, https://doi.org/10.1029/2022AV000747.
    Description: “How cold was the last ice age?” is a question that paleoclimate scientists have been trying to answer for decades. Constraining the magnitude of climate change since the Last Glacial Maximum (∼20,000 years ago) can help improve our understanding of Earth's climate sensitivity and, therefore enhance our ability to predict future change (Tierney et al., 2020). Of course, there is no single answer to this question: there is spatial structure to LGM temperature change that is linked to fundamental climate system properties and processes. Consequently, paleoclimate scientists have focused on variations of this question, like “What was the latitudinal gradient of LGM temperature change?” (Chiang et al., 2003), “What was the land-sea contrast?” (Rind & Peteet, 1985) or “What was the change in ocean heat content?” (Bereiter et al., 2018). These questions inform large-scale atmospheric and oceanic circulation, the intensity of the water cycle, and planetary energy balance; the answers to these questions come from proxies like planktic and benthic foraminifera, speleothems, ice cores, pollen records, ancient groundwater, lake sediments, and glacial moraines, to name a few. In short, the paleoclimate community has developed a proxy “tool kit” equipped to map changes across the Earth's surface and into the ocean interior; but, until now, no “tool” existed for the upper atmosphere.
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    The Arctic Ocean’s Beaufort Gyre (2023)
    Annual Reviews
    Details
    Publication Date: 2023-02-28
    Description: © The Author(s), 2023. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Timmermans, M.-L., & Toole, J. The Arctic Ocean’s Beaufort Gyre. Annual Review of Marine Science, 15(1), (2023): 223-248, https://doi.org/10.1146/annurev-marine-032122-012034.
    Description: The Arctic Ocean's Beaufort Gyre is a dominant feature of the Arctic system, a prominent indicator of climate change, and possibly a control factor for high-latitude climate. The state of knowledge of the wind-driven Beaufort Gyre is reviewed here, including its forcing, relationship to sea-ice cover, source waters, circulation, and energetics. Recent decades have seen pronounced change in all elements of the Beaufort Gyre system. Sea-ice losses have accompanied an intensification of the gyre circulation and increasing heat and freshwater content. Present understanding of these changes is evaluated, and time series of heat and freshwater content are updated to include the most recent observations.
    Description: Support was provided by the National Science Foundation Office of Polar Programs and the Office of Naval Research.
    Keywords: Arctic Ocean ; Beaufort Gyre ; Circulation ; Sea ice ; Freshwater ; Ocean heat content
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    Sediments in sea ice drive the Canada Basin surface Mn maximum: insights from an Arctic Mn Ocean model (2023)
    American Geophysical Union
    Details
    Publication Date: 2023-02-28
    Description: Author Posting. © American Geophysical Union, 2022. This article is posted here by permission of American Geophysical Union for personal use, not for redistribution. The definitive version was published in Global Biogeochemical Cycles 36(8), (2022): e2022GB007320, https://doi.org/10.1029/2022GB007320.
    Description: Biogeochemical cycles in the Arctic Ocean are sensitive to the transport of materials from continental shelves into central basins by sea ice. However, it is difficult to assess the net effect of this supply mechanism due to the spatial heterogeneity of sea ice content. Manganese (Mn) is a micronutrient and tracer which integrates source fluctuations in space and time while retaining seasonal variability. The Arctic Ocean surface Mn maximum is attributed to freshwater, but studies struggle to distinguish sea ice and river contributions. Informed by observations from 2009 IPY and 2015 Canadian GEOTRACES cruises, we developed a three-dimensional dissolved Mn model within a 1/12° coupled ocean-ice model centered on the Canada Basin and the Canadian Arctic Archipelago (CAA). Simulations from 2002 to 2019 indicate that annually, 87%–93% of Mn contributed to the Canada Basin upper ocean is released by sea ice, while rivers, although locally significant, contribute only 2.2%–8.5%. Downstream, sea ice provides 34% of Mn transported from Parry Channel into Baffin Bay. While rivers are often considered the main source of Mn, our findings suggest that in the Canada Basin they are less important than sea ice. However, within the shelf-dominated CAA, both rivers and sediment resuspension are important. Climate-induced disruption of the transpolar drift may reduce the Canada Basin Mn maximum and supply downstream. Other micronutrients found in sediments, such as Fe, may be similarly affected. These results highlight the vulnerability of the biogeochemical supply mechanisms in the Arctic Ocean and the subpolar seas to climatic changes.
    Description: This work was funded by the Natural Sciences and Engineering Research Council of Canada (NSERC) Climate Change and Atmospheric Research Grant: GEOTRACES (RGPCC 433848-12) and VITALS (RGPCC 433898), an NSERC Discovery Grant (RGPIN-2016-03865) to SEA, and by the University of British Columbia through a four year fellowship to BR. Computing resources were provided by Compute Canada (RRG 2648 RAC 2019, RRG 2969 RAC 2020, and RRG 1541 RAC 2021).
    Keywords: GEOTRACES ; Arctic Ocean ; Trace elements ; Canadian Arctic Archipelago ; Ocean modeling ; Micronutrients
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    WISTFUL: whole‐rock interpretative seismic toolbox for ultramafic lithologies (2023)
    American Geophysical Union
    Details
    Publication Date: 2023-02-28
    Description: © The Author(s), 2022. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Shinevar, W., Jagoutz, O., & Behn, M. WISTFUL: whole‐rock interpretative seismic toolbox for ultramafic lithologies. Geochemistry, Geophysics, Geosystems, 23(8), (2022): e2022GC010329, https://doi.org/10.1029/2022gc010329.
    Description: To quantitatively convert upper mantle seismic wave speeds measured into temperature, density, composition, and corresponding and uncertainty, we introduce the Whole-rock Interpretative Seismic Toolbox For Ultramafic Lithologies (WISTFUL). WISTFUL is underpinned by a database of 4,485 ultramafic whole-rock compositions, their calculated mineral modes, elastic moduli, and seismic wave speeds over a range of pressure (P) and temperature (T) (P = 0.5–6 GPa, T = 200–1,600°C) using the Gibbs free energy minimization routine Perple_X. These data are interpreted with a toolbox of MATLAB® functions, scripts, and three general user interfaces: WISTFUL_relations, which plots relationships between calculated parameters and/or composition; WISTFUL_geotherms, which calculates seismic wave speeds along geotherms; and WISTFUL_inversion, which inverts seismic wave speeds for best-fit temperature, composition, and density. To evaluate our methodology and quantify the forward calculation error, we estimate two dominant sources of uncertainty: (a) the predicted mineral modes and compositions, and (b) the elastic properties and mixing equations. To constrain the first source of uncertainty, we compiled 122 well-studied ultramafic xenoliths with known whole-rock compositions, mineral modes, and estimated P-T conditions. We compared the observed mineral modes with modes predicted using five different thermodynamic solid solution models. The Holland et al. (2018, https://doi.org/10.1093/petrology/egy048) solution models best reproduce phase assemblages (∼12 vol. % phase root-mean-square error [RMSE]) and estimated wave speeds. To assess the second source of uncertainty, we compared wave speed measurements of 40 ultramafic rocks with calculated wave speeds, finding excellent agreement (Vp RMSE = 0.11 km/s). WISTFUL easily analyzes seismic datasets, integrates into modeling, and acts as an educational tool.
    Description: Funding for this study was provided by NSF Grants EAR-17-22935 (OJ) and EAR-18-44340 (MB).
    Keywords: Seismic velocity ; Seismic wave speed ; Thermodynamic modeling ; Density ; Composition ; Elastic moduli
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    Can we estimate air‐sea flux of biological O2 from total dissolved oxygen? (2023)
    American Geophysical Union
    Details
    Publication Date: 2023-03-02
    Description: Author Posting. © American Geophysical Union, 2022. This article is posted here by permission of American Geophysical Union for personal use, not for redistribution. The definitive version was published in Global Biogeochemical Cycles 36(9), (2022): e2021GB007145, https://doi.org/10.1029/2021gb007145.
    Description: In this study, we compare mechanistic and empirical approaches to reconstruct the air-sea flux of biological oxygen (F[O2]bio-as) by parameterizing the physical oxygen saturation anomaly (ΔO2[phy]) in order to separate the biological contribution from total oxygen. The first approach matches ΔO2[phy] to the monthly climatology of the argon saturation anomaly from a global ocean circulation model's output. The second approach derives ΔO2[phy] from an iterative mass balance model forced by satellite-based physical drivers of ΔO2[phy] prior to the sampling day by assuming that air-sea interactions are the dominant factors driving the surface ΔO2[phy]. The final approach leverages the machine-learning technique of Genetic Programming (GP) to search for the functional relationship between ΔO2[phy] and biophysicochemical parameters. We compile simultaneous measurements of O2/Ar and O2 concentration from 14 cruises to train the GP algorithm and test the validity and applicability of our modeled ΔO2[phy] and F[O2]bio-as. Among the approaches, the GP approach, which incorporates ship-based measurements and historical records of physical parameters from the reanalysis products, provides the most robust predictions (R2 = 0.74 for ΔO2[phy] and 0.72 for F[O2]bio-as; RMSE = 1.4% for ΔO2[phy] and 7.1 mmol O2 m−2 d−1 for F[O2]bio-as). We use the empirical formulation derived from GP approach to reconstruct regional, inter-annual, and decadal variability of F[O2]bio-as based on historical oxygen records. Overall, our study represents a first attempt at deriving F[O2]bio-as from snapshot measurements of oxygen, thereby paving the way toward using historical O2 data and a rapidly growing number of O2 measurements on autonomous platforms for independent insight into the biological pump.
    Description: N. Cassar was supported by the “Laboratoire d'Excellence” LabexMER (ANR-10-LABX-19) and co-funded by a grant from the French government under the program “Investissements d'Avenir.” Y. Huang was supported by grants from the China NSF (Nos. 42130401 and 42141002). Y. Huang was also partly supported by Chinese State Scholarship Fund to study at Duke University as a joint PhD student (No. 201806310052). R. Eveleth was supported by the NSF GRFP under grant (No. 1106401). D. Nicholson was supported by the NSF OCE-1129973 and OCE-1923915.
    Keywords: Air-sea gas biological oxygen flux ; Physical oxygen saturation anomaly ; Total dissolved oxygen ; Mechanistic and empirical models
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    Accuracy and reproducibility of coral Sr/Ca SIMS timeseries in modern and fossil corals (2023)
    American Geophysical Union
    Details
    Publication Date: 2023-03-08
    Description: © The Author(s), 2022. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Sayani, H., Cobb, K., Monteleone, B., & Bridges, H. Accuracy and reproducibility of coral Sr/Ca SIMS timeseries in modern and fossil corals. Geochemistry, Geophysics, Geosystems, 23(9), (2022): e2021GC010068, https://doi.org/10.1029/2021gc010068.
    Description: Coral strontium-to-calcium ratios (Sr/Ca) provide quantitative estimates of past sea surface temperatures (SST) that allow for the reconstruction of changes in the mean state and climate variations, such as the El Nino-Southern Oscillation, through time. However, coral Sr/Ca ratios are highly susceptible to diagenesis, which can impart artifacts of 1–2°C that are typically on par with the tropical climate signals of interest. Microscale sampling via Secondary Ion Mass Spectrometry (SIMS) for the sampling of primary skeletal material in altered fossil corals, providing much-needed checks on fossil coral Sr/Ca-based paleotemperature estimates. In this study, we employ a set modern and fossil corals from Palmyra Atoll, in the central tropical Pacific, to quantify the accuracy and reproducibility of SIMS Sr/Ca analyses relative to bulk Sr/Ca analyses. In three overlapping modern coral samples, we reproduce bulk Sr/Ca estimates within ±0.3% (1σ). We demonstrate high fidelity between 3-month smoothed SIMS coral Sr/Ca timeseries and SST (R = −0.5 to −0.8; p 〈 0.5). For lightly-altered sections of a young fossil coral from the early-20th century, SIMS Sr/Ca timeseries reproduce bulk Sr/Ca timeseries, in line with our results from modern corals. Across a moderately-altered section of the same fossil coral, where diagenesis yields bulk Sr/Ca estimates that are 0.6 mmol too high (roughly equivalent to −6°C artifacts in SST), SIMS Sr/Ca timeseries track instrumental SST timeseries. We conclude that 3–4 SIMS analyses per month of coral growth can provide a much-needed quantitative check on the accuracy of fossil coral Sr/Ca-derived estimates of paleotemperature, even in moderately altered samples.
    Description: We'd also like to thank Yolande Berta and Georgia Tech's Center for Nanostructure Characterization for providing access to their SEM facilities, and the Khaled bin Sultan Living Ocean Foundation and The Nature Conservancy for financial and logistical support for field excursions to Palmyra. Funding for this work was provided by the National Science Foundation (Award Numbers 1502832 and 2002458 to K.M.C) and the National Oceanic and Atmospheric Administration (Award Number: NA11OAR4310165 to K.M.C).
    Repository Name: Woods Hole Open Access Server
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    Observational and modeling evidence of seasonal trends in sediment-derived material inputs to the Chukchi Sea (2020)
    American Geophysical Union
    Details
    Publication Date: 2023-03-08
    Description: Author Posting. © American Geophysical Union, 2020. This article is posted here by permission of American Geophysical Union for personal use, not for redistribution. The definitive version was published in Journal of Geophysical Research: Oceans 125(5), (2020): e2019JC016007, doi:10.1029/2019JC016007.
    Description: Benthic inputs of nutrients help support primary production in the Chukchi Sea and produce nutrient‐rich water masses that ventilate the halocline of the western Arctic Ocean. However, the complex biological and redox cycling of nutrients and trace metals make it difficult to directly monitor their benthic fluxes. In this study, we use radium‐228, which is a soluble radionuclide produced in sediments, and a numerical model of an inert, generic sediment‐derived tracer to study variability in sediment inputs to the Chukchi Sea. The 228Ra observations and modeling results are in general agreement and provide evidence of strong benthic inputs to the southern Chukchi Sea during the winter, while the northern shelf receives higher concentrations of sediment‐sourced materials in the spring and summer due to continued sediment‐water exchange as the water mass traverses the shelf. The highest tracer concentrations are observed near the shelfbreak and southeast of Hanna Shoal, a region known for high biological productivity and enhanced benthic biomass.
    Description: This study presents data from multiple Arctic expeditions over the past two decades, and we are indebted to the captains, crews, and scientific parties that made this data collection possible. This work was funded by NSF awards OCE‐1458305 to M. Charette, OCE‐1458424 to W. Moore, OCE‐1434085 to D. Kadko, PLR‐1504333 to R. Pickart, and OPP‐1822334 to M. Spall. Funding was also provided by National Oceanic and Atmospheric Administration Grant NA14‐OAR4320158 to R. Pickart. L. Kipp was supported by an Ocean Frontier Institute Postdoctoral Fellowship. Radium data used in this manuscript are available in Table S1.
    Description: 2020-10-27
    Keywords: Chukchi Sea ; Benthic flux ; Radium‐228 ; GEOTRACES
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  • 41
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    Drifter observations reveal intense vertical velocity in a surface ocean front (2023)
    American Geophysical Union
    Details
    Publication Date: 2023-03-11
    Description: © The Author(s), 2022. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Tarry, D., Ruiz, S., Johnston, T., Poulain, P., Özgökmen, T., Centurioni, L., Berta, M., Esposito, G., Farrar, J., Mahadevan, A., & Pascual, A. Drifter observations reveal intense vertical velocity in a surface ocean front. Geophysical Research Letters, 49(18), (2022): e2022GL098969, https://doi.org/10.1029/2022gl098969.
    Description: Measuring vertical motions represent a challenge as they are typically 3–4 orders of magnitude smaller than the horizontal velocities. Here, we show that surface vertical velocities are intensified at submesoscales and are dominated by high frequency variability. We use drifter observations to calculate divergence and vertical velocities in the upper 15 m of the water column at two different horizontal scales. The drifters, deployed at the edge of a mesoscale eddy in the Alboran Sea, show an area of strong convergence (urn:x-wiley:00948276:media:grl64766:grl64766-math-0001(f)) associated with vertical velocities of −100 m day−1. This study shows that a multilayered-drifter array can be an effective tool for estimating vertical velocity near the ocean surface.
    Description: This research was supported by the Office of Naval Research (ONR) Departmental Research Initiative CALYPSO under program officers Terri Paluszkiewicz and Scott Harper. The authors' ONR Grant No. are as follows: DT, SR, AM, and AP N000141613130, TMSJ N000146101612470, PP N000141812418, TO N000141812138, LRC N000141712517, and N00014191269, MB and GE N000141812782 and N000141812039, and JTF N000141812431.
    Keywords: Drifters ; Vertical velocity ; Submesoscale ; Kinematic properties ; Fronts ; Alboran Sea
    Repository Name: Woods Hole Open Access Server
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  • 42
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    Volcano monitoring with magnetic measurements: a simulation of eruptions at axial seamount, Kilauea, Baroarbunga, and Mount Saint Helens (2023)
    American Geophysical Union
    Details
    Publication Date: 2023-03-11
    Description: © The Author(s), 2022. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Biasi, J., Tivey, M., & Fluegel, B. Volcano monitoring with magnetic measurements: a simulation of eruptions at axial seamount, Kilauea, Baroarbunga, and Mount Saint Helens. Geophysical Research Letters, 49(17), (2022): e2022GL100006, https://doi.org/10.1029/2022GL100006.
    Description: Monitoring of active volcanic systems is a challenging task due in part to the trade-offs between collection of high-quality data from multiple techniques and the high costs of acquiring such data. Here we show that magnetic data can be used to monitor volcanoes by producing similar data to gravimetric techniques at significantly lower cost. The premise of this technique is that magma and wall rock above the Curie temperature are magnetically “transparent,” but not stationary within the crust. Subsurface movements of magma can affect the crustal magnetic field measured at the surface. We construct highly simplified magnetic models of four volcanic systems: Mount Saint Helens (1980), Axial Seamount (2015–2020), Kīlauea (2018), and Bárðarbunga (2014). In all cases, observed or inferred changes to the magmatic system would have been detectable by modern magnetometers. Magnetic monitoring could become common practice at many volcanoes, particularly in developing nations with high volcanic risk.
    Description: This work was supported by the NSF Grant No 2052963 to J. Biasi and an internal Woods Hole Oceanographic Institution grant to M. Tivey.
    Keywords: Magnetism ; Volcanic hazards ; Hawaii ; Iceland ; Volcanology ; Monitoring
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  • 43
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    Radium inputs into the Arctic Ocean from rivers a basin‐wide estimate (2023)
    American Geophysical Union
    Details
    Publication Date: 2023-03-11
    Description: © The Author(s), 2022. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Bullock, E., Kipp, L., Moore, W., Brown, K., Mann, P., Vonk, J., Zimov, N., & Charette, M. Radium inputs into the Arctic Ocean from rivers a basin‐wide estimate. Journal of Geophysical Research: Oceans, 127(9), (2022): e2022JC018964, https://doi.org/10.1029/2022jc018964.
    Description: Radium isotopes have been used to trace nutrient, carbon, and trace metal fluxes inputs from ocean margins. However, these approaches require a full accounting of radium sources to the coastal ocean including rivers. Here, we aim to quantify river radium inputs into the Arctic Ocean for the first time for 226Ra and to refine the estimates for 228Ra. Using new and existing data, we find that the estimated combined (dissolved plus desorbed) annual 226Ra and 228Ra fluxes to the Arctic Ocean are [7.0–9.4] × 1014 dpm y−1 and [15–18] × 1014 dpm y−1, respectively. Of these totals, 44% and 60% of the river 226Ra and 228Ra, respectively are from suspended sediment desorption, which were estimated from laboratory incubation experiments. Using Ra isotope data from 20 major rivers around the world, we derived global annual 226Ra and 228Ra fluxes of [7.4–17] × 1015 and [15–27] × 1015 dpm y−1, respectively. As climate change spurs rapid Arctic warming, hydrological cycles are intensifying and coastal ice cover and permafrost are diminishing. These river radium inputs to the Arctic Ocean will serve as a valuable baseline as we attempt to understand the changes that warming temperatures are having on fluxes of biogeochemically important elements to the Arctic coastal zone.
    Description: This study was a broad, collaborative effort that would not have been possible without contributions from numerous funding sources, including the National Science Foundation (NSF-0751525, NSF-1736277, NSF-1458305, NSF-1938873, NSF-2048067, NSF-2134865), the NERC-BMBF project CACOON [NE/R012806/1] (UKRI NERC) and BMBF-03F0806A, and an EU Starting Grant (THAWSOME-676982).
    Keywords: Radium isotopes ; Arctic Ocean ; River fluxes
    Repository Name: Woods Hole Open Access Server
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  • 44
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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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    Phaeocystis: A Global Enigma (2024)
    Annual Reviews
    In:  EPIC3Annual Review of Marine Science, Annual Reviews, 16(1), pp. 417-441, ISSN: 1941-1405
    Details
    Publication Date: 2024-03-01
    Description: The genus Phaeocystis is globally distributed, with blooms commonly occurring on continental shelves. This unusual phytoplankter has two major morphologies: solitary cells and cells embedded in a gelatinous matrix. Only colonies form blooms. Their large size (commonly 2 mm but up to 3 cm) and mucilaginous envelope allow the colonies to escape predation, but data are inconsistent as to whether colonies are grazed. Cultured Phaeocystis can also inhibit the growth of co-occurring phytoplankton or the feeding of potential grazers. Colonies and solitary cells use nitrate as a nitrogen source, although solitary cells can also grow on ammonium. Phaeocystis colonies might be a major contributor to carbon flux to depth, but in most cases, colonies are rapidly remineralized in the upper 300 m. The occurrence of large Phaeocystis blooms is often associated with environments with low and highly variable light and high nitrate levels, with Phaeocystis antarctica blooms being linked additionally to high iron availability. Emerging results indicate that different clones of Phaeocystis have substantial genetic plasticity, which may explain its appearance in a variety of environments. Given the evidence of Phaeocystis appearing in new systems, this trend will likely continue in the near future.
    Repository Name: EPIC Alfred Wegener Institut
    Type: Article , peerRev
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  • 46
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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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  • 49
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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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  • 52
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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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  • 53
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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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  • 54
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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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  • 55
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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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  • 56
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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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  • 57
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    Quantifying electron cascade size in various irradiated materials for free‐electron laser applications (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2023-12-12
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉Studying electron‐ and X‐ray‐induced electron cascades in solids is essential for various research areas at free‐electron laser facilities, such as X‐ray imaging, crystallography, pulse diagnostics or X‐ray‐induced damage. To better understand the fundamental factors that define the duration and spatial size of such cascades, this work investigates the electron propagation in ten solids relevant for the applications of X‐ray lasers: Au, B〈sub〉4〈/sub〉C, diamond, Ni, polystyrene, Ru, Si, SiC, Si〈sub〉3〈/sub〉N〈sub〉4〈/sub〉 and W. Using classical Monte Carlo simulation in the atomic approximation, we study the dependence of the cascade size on the incident electron or photon energy and on the target parameters. The results show that an electron‐induced cascade is systematically larger than a photon‐induced cascade. Moreover, in contrast with the common assumption, the maximal cascade size does not necessarily coincide with the electron range. It was found that the cascade size can be controlled by careful selection of the photon energy for a particular material. Photon energy, just above an ionization potential, can essentially split the absorbed energy between two electrons (photo‐ and Auger), reducing their initial energy and thus shrinking the cascade size. This analysis suggests a way of tailoring the electron cascades for applications requiring either small cascades with a high density of excited electrons or large‐spread cascades with lower electron densities.〈/p〉
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉Studying electron‐ and X‐ray‐induced electron cascades in solids is essential for various research areas at free‐electron laser facilities, such as X‐ray imaging, crystallography, pulse diagnostics or X‐ray‐induced damage. To better understand the fundamental factors that define the duration and spatial size of such cascades, this work investigates the electron propagation in ten solids relevant for the applications of X‐ray lasers. Using classical Monte Carlo simulation in the atomic approximation, the dependence of the cascade size on the incident electron or photon energy and on the target parameters is studied.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005775:jsy2gb5123:jsy2gb5123-fig-0001"〉 〈/graphic〉〈/boxed-text〉〈/p〉
    Keywords: ddc:548 ; electron cascades ; X‐ray free‐electron lasers ; Monte Carlo ; photon‐induced cascade ; electron transport
    Language: English
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  • 58
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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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  • 59
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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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  • 60
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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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    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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  • 62
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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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  • 63
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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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  • 64
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    Designing More Informative Multiple-Driver Experiments (2024)
    Annual Reviews
    In:  EPIC3Annual Review of Marine Science, Annual Reviews, 16(1), pp. 513-536, ISSN: 1941-1405
    Details
    Publication Date: 2024-01-31
    Description: 〈jats:p〉 For decades, multiple-driver/stressor research has examined interactions among drivers that will undergo large changes in the future: temperature, pH, nutrients, oxygen, pathogens, and more. However, the most commonly used experimental designs—present-versus-future and ANOVA—fail to contribute to general understanding or predictive power. Linking experimental design to process-based mathematical models would help us predict how ecosystems will behave in novel environmental conditions. We review a range of experimental designs and assess the best experimental path toward a predictive ecology. Full factorial response surface, fractional factorial, quadratic response surface, custom, space-filling, and especially optimal and sequential/adaptive designs can help us achieve more valuable scientific goals. Experiments using these designs are challenging to perform with long-lived organisms or at the community and ecosystem levels. But they remain our most promising path toward linking experiments and theory in multiple-driver research and making accurate, useful predictions. 〈/jats:p〉
    Repository Name: EPIC Alfred Wegener Institut
    Type: Article , peerRev
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  • 65
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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
    Type: doc-type:article
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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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  • 67
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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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  • 68
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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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  • 69
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    Constraints on the Cryohydrological Warming of Firn and Ice in Greenland From Rayleigh Wave Ellipticity Data (2024)
    American Geophysical Union
    Details
    Publication Date: 2024-04-05
    Description: Rayleigh wave ellipticity measurements from seismic ambient noise recorded on the Greenland Ice Sheet (GrIS) show complex and anomalous behavior at wave periods sensitive to ice (T 〈 3–4 s). To understand these complex observations, we compare them with synthetic ellipticity measurements obtained from synthetic ambient noise computed for various seismic velocity and attenuation models, including surface wave overtone effects. We find that in dry snow conditions within the interior of the GrIS, to first order the anomalous ellipticity observations can be explained by ice models associated with the accumulation and densification of snow into firn. We also show that the distribution of ellipticity measurements is strongly sensitive to seismic attenuation and the thermal structure of the ice. Our results suggest that Rayleigh wave ellipticity is well suited for monitoring changes in firn properties and thermal composition of the Greenland and Antarctic ice sheets in a changing climate.
    Description: Published
    Description: e2023GL103673
    Description: OST1 Alla ricerca dei Motori Geodinamici
    Description: JCR Journal
    Keywords: 04.06. Seismology
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
    Type: article
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  • 70
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    Carbon Stocks and Potential Greenhouse Gas Production of Permafrost-Affected Active Floodplains in the Lena River Delta (2024)
    American Geophysical Union
    In:  EPIC3Journal of Geophysical Research (JGR): Biogeosciences, American Geophysical Union, 129, ISSN: 2169-8953
    Details
    Publication Date: 2024-04-19
    Description: Arctic warming increases the degradation of permafrost soils but little is known about floodplain soils in the permafrost region. This study quantifies soil organic carbon (SOC) and soil nitrogen stocks, and the potential CH4 and CO2 production from seven cores in the active floodplains in the Lena River Delta, Russia. The soils were sandy but highly heterogeneous, containing deep, organic rich deposits with 〉60% SOC stored below 30 cm. The mean SOC stocks in the top 1 m were 12.9 ± 6.0 kg C m−2. Grain size analysis and radiocarbon ages indicated highly dynamic environments with sediment re-working. Potential CH4 and CO2 production from active floodplains was assessed using a 1-year incubation at 20°C under aerobic and anaerobic conditions. Cumulative aerobic CO2 production mineralized a mean 4.6 ± 2.8% of initial SOC. The mean cumulative aerobic:anaerobic C production ratio was 2.3 ± 0.9. Anaerobic CH4 production comprised 50 ± 9% of anaerobic C mineralization; rates were comparable or exceeded those for permafrost region organic soils. Potential C production from the incubations was correlated with total organic carbon and varied strongly over space (among cores) and depth (active layer vs. permafrost). This study provides valuable information on the carbon cycle dynamics from active floodplains in the Lena River Delta and highlights the key spatial variability, both among sites and with depth, and the need to include these dynamic permafrost environments in future estimates of the permafrost carbon-climate feedback.
    Repository Name: EPIC Alfred Wegener Institut
    Type: Article , isiRev
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  • 71
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    Rhythms and Clocks in Marine Organisms (2023)
    Annual Reviews
    In:  EPIC3Annual Review of Marine Science, Annual Reviews, 15(1), pp. 509-538, ISSN: 1941-1405
    Details
    Publication Date: 2024-05-10
    Description: The regular movements of waves and tides are obvious representations of the oceans’ rhythmicity. But the rhythms of marine life span across ecological niches and timescales, including short (in the range of hours) and long (in the range of days and months) periods. These rhythms regulate the physiology and behavior of individuals, as well as their interactions with each other and with the environment. This review highlights examples of rhythmicity in marine animals and algae that represent important groups of marine life across different habitats. The examples cover ecologically highly relevant species and a growing number of laboratory model systems that are used to disentangle key mechanistic principles. The review introduces fundamental concepts of chronobiology, such as the distinction between rhythmic and endogenous oscillator–driven processes. It also addresses the relevance of studying diverse rhythms and oscillators, as well as their interconnection, for making better predictions of how species will respond to environmental perturbations, including climate change. As the review aims to address scientists from the diverse fields of marine biology, ecology, and molecular chronobiology, all of which have their own scientific terms, we provide definitions of key terms throughout the article.
    Repository Name: EPIC Alfred Wegener Institut
    Type: Article , isiRev
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  • 72
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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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  • 73
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    Estimating Bioturbation From Replicated Small‐Sample Radiocarbon Ages (2021)
    American Geophysical Union
    In:  EPIC3Paleoceanography and Paleoclimatology, American Geophysical Union, 36(7), ISSN: 2572-4517
    Details
    Publication Date: 2024-06-22
    Description: Marine sedimentary records are a key archive when reconstructing past climate; however, mixing at the seabed (bioturbation) can strongly influence climate records, especially when sedimentation rates are low. By commingling the climate signal from different time periods, bioturbation both smooths climate records, by damping fast climate variations, and creates noise when measurements are made on samples containing small numbers of individual proxy carriers, such as foraminifera. Bioturbation also influences radiocarbon-based age-depth models, as sample ages may not represent the true ages of the sediment layers from which they were picked. While these effects were first described several decades ago, the advent of ultra-small-sample $^{14}$C dating now allows samples containing very small numbers of foraminifera to be measured, thus enabling us to directly measure the age-heterogeneity of sediment for the first time. Here, we use radiocarbon dates measured on replicated samples of 3-30 foraminifera to estimate age-heterogeneity for five marine sediment cores with sedimentation rates ranging from 2-30 cm kyr$^{-1}$. From their age-heterogeneities and sedimentation rates we infer mixing depths of 10-20 cm for our core sites. Our results show that when accounting for age-heterogeneity, the true error of radiocarbon dating can be several times larger than the reported measurement. We present estimates of this uncertainty as a function of sedimentation rate and the number of individuals per radiocarbon date. A better understanding of this uncertainty will help us to optimise radiocarbon measurements, construct age models with appropriate uncertainties and better interpret marine paleo records.
    Repository Name: EPIC Alfred Wegener Institut
    Type: Article , isiRev , info:eu-repo/semantics/article
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  • 74
    Electronic Resource
    Electronic Resource
    A new geobarometer for the assemblage biotite-muscovite-chlorite-quartz (1983)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 1 (1983), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: The equilibrium thermodynamics of the reaction:And the equilibrium constant is composed of activities formulated using ideal mixing on sites. Consideration is given to the evaluation of uncertainties in pressures calculated using the geobarometer. Preliminary testing suggests that the geobarometer has considerable potential. Much wider testing is now required.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1983.tb00278.x
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  • 75
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    Mineralogy and petrology of a piemontite-bearing schist, western Otago, New Zealand (1983)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 1 (1983), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract. Pink piemontite-spessartine-bearing and grey-green spessartine-bearing manganiferous quartzose schists derived from siliceous pelagites, and green quartzofeldspathic schists, are described from the greenschist facies of the Haast Schist terrane, near Arrow Junction, western Otago. Electron microprobe data are reported for sphene, spessartine-rich garnet, manganoan epidote, piemontite, tourmaline, phengitic muscovite, chlorite, albite, haematite, rutile, manganoan calcite and chalcopyrite.Metamorphism occurred at about 6.4kbar, 400°C. Xco2 was above the quartz-rutile-calcite-sphene buffer (Xco2± 0.02) throughout the recorded metamorphic history of the piemontite schists. It dropped from above to below this critical buffering value in a spessartine-rich schist and it was close to or below the buffering value in the quartzofeldspathic schists. Production of piemontite required high fO2, believed to be inherited from MnOx in the parent pelagite. Substantial loss of O2 (e.g. minimum of 0.19% by weight in one rock) during diagenesis and/or metamorphism is inferred. In the grey-green schists this inhibited piemontite formation. Slight loss of O2 and Ca2+ accompanied minor late-stage replacement of piemontite by second generation spessartine. Observed zoning and mineral replacements indicate rise of temperature, drop in pressure, or invasion by solutions of lower fO2 and XCO2 equilibrated with surrounding schists.The detailed chemistry of the minerals studied correlates with available Mn and with bulk-rock (Fe3+ x 100)/(Fe2++ Fe3+). The oxidation ratio ranges from 24 in average green quartzofeldspathic schist, through 78 in average grey-green manganiferous quartzose schist, to almost 100 in some piemontite-bearing schists. As Fe2+ gives way to Fe3+, Mg/Fe ratios tend to rise in chlorite, phengite, tourmaline, spessartine, and calcite, Mn increases and Ti decreases in haematite, Mn increases in spessartine and calcite, and Fe increases in rutile. Available divalent cations are depleted relative to Al; chlorite is more aluminous, and phengite more paragonitic than in typical Haast schists.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1983.tb00280.x
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  • 76
    Electronic Resource
    Electronic Resource
    Mineral parageneses in metamorphic rocks exposed along Tailuko Gorge, Central Mountain Range, Taiwan (1983)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 1 (1983), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Field, petrographic and microprobe investigations of metaclastic rocks, calcareous schists, marbles, chloritic calcareous meta-volcanic units and schists/paragneisses which crop out along the eastern portion of the Central East-West Cross Island Highway in Taiwan demonstrate that metamorphic intensity gradually increases eastward. The lower greenschist facies Slate Formation on the W contains completely recrystallized, pure albitic plagioclase, but at least some of the white micas (± chlorites) probably represent relict detrital flakes. Neo-blastic biotite and epidote occur sporadically in the Pihou(?) Formation, and increase dramatically eastward; concomitantly the abundance of carbonaceous matter decreases to zero in the eastern Tailuko zone, and the amount of chlorite + white mica diminishes somewhat. Epidote becomes more aluminous at higher metamorphic grade. Eastward, phengites change progressively to more muscovitic compositions as the proportion of biotite increases.A close approach to chemical equilibrium for the pre-Cenozoic, complexly deformed metamorphic basement assemblages is suggested by regular, systematic, major and minor element partitioning between analysed coexisting phases. Fractionation is less pronounced on the E, reflecting higher temperatures. Estimated physical conditions of recrystallization with αH2O and αCO2 moderate, are: T 〉 325 ± 75°C, P 〉 3 kbar (W); T 〉 425 ± 75°C, P 〉 4kbar(E).The gradual eastward increase in metamorphic intensity from the Slate Formation through the Pihou(?) Formation and the three Tailuko zones, as well as the relict precursor textures in the pre-Cenozoic layered basement rocks indicate that the observed paragenetic sequence could represent a synchronous Neogene recrystallization event, probably accompanying the Plio-Pleistocene collision of the Asiatic continental margin and the Luzon (Coastal Range) andesitic arc.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1983.tb00277.x
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  • 77
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    Deformation and metamorphism in the Bard area of the Sesia Lanzo Zone, Western Alps, during subduction and uplift (1983)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 1 (1983), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: The structure, microstructure and petrology of a small area close to the village of Bard in Val d'Aosta (Italy) has been studied in detail. The area lies across the contact between the Gneiss Minuti (GM) and the Eclogitic Micaschist (EMS) Complexes of the Lower element of the Sesia portion of the Sesia-Lanzo Zone (Western Alps). Both complexes have undergone high-pressure metamorphism, but the metamorphic assemblages indicate a sudden increase in pressure in going across the contact from the GM to the EMS. Therefore, we interpret the contact as a thrust dividing the lower element of the Sesia into two sub-elements. This interpretation is supported by structural evidence.The early Alpine (90-70 Ma) metamorphic history is best preserved in the EMS and is one of increasing pressure associated with thrusting. The maximum P/T recorded in the EMS is 〉1500 MPa (〉15kbar) and 550°C and in the GM is 〈 1500-1300 MPa (〈 15-13 kbar) and 500-550°C. We suggest that the rocks were probably in an active Benioff zone during this time.From then on the histories of the GM and EMS are the same. Deformation continued and the thrust and thrust slices were folded during decreasing pressure. We interpret the first postthrusting deformation in terms of uplift associated with continued shortening of the crust and underplating after the Benioff zone had become inactive and a new Benioff zone had developed further to the north-west.A still later deformation and the Lepontine metamorphism (38 Ma) are related to continued uplift. Much of this deformation is characterized by structures indicative of vertical shortening and lateral spreading as the mountains rose above the general level of the surface.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1983.tb00268.x
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  • 78
    Electronic Resource
    Electronic Resource
    Editorial: Background to the Journal and its intended scope (1983)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 1 (1983), 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.1525-1314.1983.tb00260.x
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  • 79
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    Cordierite-bearing schists and gneisses from Timor, eastern Indonesia: P-T conditions of metamorphism and tectonic implications (1983)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 1 (1983), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: In the Boi Massif of Western Timor the Mutis Complex, which is equivalent to the Lolotoi Complex of East Timor, is composed of two lithostratigraphical components: various basement schists and gneisses; and the dismembered remnants of an ophiolite. Cordierite-bearing pelitic schists and gneisses carry an early mineral assemblage of biotite + garnet + plagioclase + Al-silicate, but contain no prograde muscovite; sillimanite occurs in a textural mode which suggests that it replaced and pseudomorphed kyanite at an early stage and some specimens of pelitic schist contain tiny kyanite relics in plagioclase. Textural relations between, and mineral chemistries of, ferro-magnesian phases in these pelitic chists and gneisses suggest that two discontinuous reactions and additional continuous compositional changes have been overstepped, possibly with concomitant anatexis, as a result of decrease in Pload during high temperature metamorphism. The simplified reactions are: garnet and/or biotite + sillimanite + quartz + cordierite + hercynite + ilmenite + excess components. P-T conditions during the development of the early mineral assemblage in the pelitic gneisses are estimated to have been P + 10 kbar and T 〉 750°C, based upon the plagioclase-garnet-Al-silicate-quartz geobarometer and the garnet-biotite geothermometer. P-T conditions during the subsequent development of cordierite-bearing mineral assemblages in the pelitic gneisses are estimated to have been P + 5 kbar and T + 700°C with XH2O 〈 0.5, based upon the Fe content of cordierite occurring in the assemblage quartz + plagioclase + sillimanite + biotite + garnet + cordierite coexisting with melt.Final equilibration between some of the phases suggests that conditions dropped to P 〉 2.3 kbar and T 〉 600°C. A similar exhumation P-T path is suggested for the pelitic schists with early metamorphic conditions of P 〉 6.2 kbar and T 〉 745°C and subsequent development of cordierite under conditions in the range P = 3-4 kbar and T = 600-700°C. The tectonic implications of these P-T estimates are discussed and it is concluded that the P-T path followed by these rocks was caused by decompression during rifting and synmetamorphic ophiolite emplacement resulting from processes during the initiation and development of a convergent plate junction located in Southeast Asia during late Jurassic to Cretaceous time.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1983.tb00271.x
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    Peristerite compositions in quartzofeldspathic schists, Franz Josef-Fox Glacier Area, New Zealand (1983)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 1 (1983), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Plagioclase compositions vary from An0.1–2.5 to An32 with increasing grade in chlorite zone to oligoclase zone quartzofeldspathic schists, Franz Josef-Fox Glacier area, Southern Alps, New Zealand. This change is interrupted by the peristerite composition gap in rocks transitional between greenschist and amphibolite facies grade. Oligoclase (An20-24) and albite (An0.1–0.5) are found in biotite zone schists below the garnet isograd. With increasing grade, the plagioclase compositions outline the peristerite gap, which is asymmetric and narrows to compositions of An12 and An6 near the top of the garnet zone. In any one sample, oligoclase is the stable mineral in mica-rich layers above the garnet isograd, whereas albite and oligoclase exist in apparent textural equilibrium in adjacent quartz-plagioclase layers. The initial appearance of oligoclase in both layers results from the breakdown of epidote and possibly sphene. Carbonate is restricted to the quartz-plagioclase rich layers and probably accounts for the more sodic composition of oligoclase in these layers. The formation of more Ca-rich albite and more Na-rich oligoclase near the upper limit of the garnet zone coincides with the disappearance of carbonate and closure of the peristerite gap. Garnet appears to have only a localized effect on Ca-enrichment of plagioclase in mica-rich layers within the garnet zone. The Na-content of white mica increases sympathetically with increasing Ca-content of oligoclase and metamorphic grade.Comparison of the peristerite gap in the Franz Josef-Fox Glacier schists and schists of the same bulk composition in the Haast River area, 80 km to the S, indicates that oligoclase appears and epidote disappears at lower temperatures, and that the composition gap between coexisting albite and oligoclase is narrower in the Franz Josef-Fox Glacier area. It is suggested that a higher thermal gradient (38-40°C/km) and variations in Si/Al ordering during growth of the plagioclases between the two areas may account for these differences. In the Alpine schists the peristerite gap exists over a temperature and pressure interval of about 370-515°C and 5.5-7 kbar (550-700 MPa) PH2O.
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    The muscovite-melt bathograd and low-P isograd suites in north-central Wopmay Orogen, Northwest Territories, Canada (1984)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 2 (1984), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: In north-central Wopmay Orogen, syntectonic low-P(Buchan-type) suites of mineral isograds outline regional metamorphic temperature culminations that are associated, at the higher structural levels, with emplacement of early Proterozoic plutons in the west part of a deformed and eastward transported continental margin prism. The mapped isograds mark the first occurrence of biotite, staurolite, andalusite, sillimanite, sillimanite-K feldspar and K feldspar-plagioclase-quartz ± muscovite (granitic) pods in metapelites, with increasing proximity to the plutons.Microprobe analyses and field observations have resulted in the formulation of reactions for the ‘ideal’pelitic system K2O-Na2O-FeO-MgO-Al2O3-SiO2-H2O-Al2O3-SiO2-H2O, to account for the various mineral assemblages of each metamorphic zone. A P-T petrogenetic grid showing erosion surface P-T curves for the northern Wopmay Orogen pelites, compiled on the basis of the mapped isograds and the inferred reaction(s) for each metamorphic zone, documents a variation in exposed metamorphic pressure ranging between 2 and 4 kbar.The configuration of a new bathograd, based on the invariant model reaction sillimanite + K feldspar + plagioclase + biotite + quartz + vapor ± muscovite + liquid and interpolated across three metamorphic suites, is consistent with a major regional structure culmination and with independently determined pressures obtained from anorthite-grossular-quartz-Al2SiO5 geobarometry. The positive correlation between the configuration of the bathograd and the structural and pressure culmination points to the pressure-dependence of anatectic-granitic-pod mineral associations.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1984.tb00592.x
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    The pumpellyite-actinolite and contiguous facies in part of the Phyllite-Quartzite Series, central Northern Peloponnesus, Greece (1984)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 2 (1984), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Variations in assemblage and composition of the constituent minerals in basic and intermediate metavolcanics encountered in the Zarouchla Group of the Phyllite-Quartzite Series are consistent with a progressive sequence, corresponding to temperature conditions estimated at 290-380°C (minimum values) under a total pressure greater than 3°5kbar and possibly as high as 5 kbar. In the absence of more critical evidence, the parageneses recorded in the metavolcanic rocks are interpreted as belonging to a prograde facies series from the lawsonite-albitechlorite facies through the pumpellyite-actinolite facies to the greenschist facies. The present distribution of mineral assemblages does not show a simple increase of metamorphic grade in a given direction but is apparently related to the tectonic evolution of the metamorphic sequence.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1984.tb00595.x
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    Shear zone metamorphism: Introduction (1984)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 2 (1984), 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.1525-1314.1984.tb00287.x
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    Fluid-rock interaction in some shear zones from the Pyrenees (1984)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 2 (1984), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract Mylonites from shear zones cutting Hercynian gneisses in the central Pyrenees have been studied in thin section and using the electron microprobe. The shear zones contain retrogressive greenschist facies assemblages implying introduction of an aqueous fluid during deformation in the zones. Textural evidence suggests that fluid-rock interaction occurred throughout the active life of the shear zones.Whole-rock chemical changes during deformation are documented in a variety of mylonitic lithologies and retrogressed country rocks. The overall effect was to reduce chemical differences between lithologies. Activity diagrams show that this would be expected if a hydrous fluid was circulating between different lithologies during deformation. In most cases fluid/rock ratios were relatively small resulting in gradual chemical changes and repeated recrystallization. ‘Open-system’behaviour with reduction in the number of phases is seen in some granite mylonites, suggesting focusing of fluid movement in parts of the shear zones. Continual fluid-rock interaction may have led to reaction-enhanced ductility in the shear zones over a long period of time. The source of fluid is uncertain, but may be related to underthrusting of material beneath the area investigated.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1984.tb00292.x
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    Phase equilibria in the hornblende-bearing basic gneisses of the Uvete area, central Kenya (1984)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 2 (1984), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract The hornblende-bearing basic gneisses in the Uvete area, central Kenya, were metamorphosed under a narrow range of P and T (6.5 ± 0.5kbar and 530 ± 40°C) of the staurolitekyanite zone in the Mozambique metamorphic belt. They show a wide variety of divariant and trivariant mineral assemblages consisting of hornblende, cumminatonite, gedrite, anthophyllite, chlorite, garnet, epidote, clinopyroxene, plagio-clase and quartz. The bulk and mineral chemistries and the graphical representation of phase relations show that each mineral assemblage approaches chemical equilibrium and defines a unique composition volume in the A′(Al + Fe3+− (13/7)Na)-F(Fe2+)-M′(Mg)-C′(Ca-(3/7)Na) tetrahedron. The composition volumes are distributed quite regularly and do not overlap each other.The phase relations in the Uvete area are in contrast with those in the staurolite-kyanite zone amphibolites in the Mt. Cube quadrangle, Vermont. The amphibolites there contain low-variance mineral assemblages formed under different values of μH2O and μCO2. These assemblages define overlapping composition volumes in the A′-F′-M′-C’tetrahedron.The mineral assemblages in the Uvete area are interpreted as having formed in equilibrium with fluid at a high and nearly constant μH2O value. Such a fluid composition was externally controlled by the supply of H2O-rich fluid expelled from the surrounding pelitic and psammitic rocks. The body size of the basic gneisses in the Uvete area (less than 400m in thickness) was small enough for the fluid to migrate completely.
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    Regional progressive high-pressure metamorphism, Seward Peninsula, Alaska (1984)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 2 (1984), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract Blueschist-facies rocks on the Seward Peninsula constitute a structurally coherent terrane measuring at least 100 × 150 km. Radiometric age data indicate that high-pressure metamorphism probably occurred in Jurassic rather than in Palaeozoic or Precambrian time, as previously suggested. Protolith sediments (Nome Group) are of intracontinental basin or continental margin type, and of lower Palaeozoic and possibly late Precambrian age, thus predating the high pressure metamorphism by more than 200 m.y.Blueschist-facies mineral assemblages were developed in almost all lithologies of the Nome Group, and are best preserved in FeTi-rich metabasites (glaucophane + almandine + epidote) and pelites (glaucophane + chloritoid + phengite). A lawsonite–crossite subfacies was developed in possible Nome Group rocks on the east flank of the Darby Mountains. Albite–epidote–amphibolite facies assemblages characterize Nome Group rocks in the southwestern part of the Peninsula. Metamorphism in the central zone of the terrane passed from early lawsonitic to subsequent epidote–almandine–glaucophane schist subfacies with the local development (east of the Nome River) of eclogitic assemblages.The high pressure metamorphic minerals were synkinematic with the development of mesoscopic-scale intrafolial isoclinal folds and a flattening foliation of consistent orientation. Initiation of uplift probably corresponded to the growth of barroisite rims on earlier sodic and actinolitic amphiboles, and partial post-kinematic greenschist facies replacements record later stages of decompression. Ophiolites and melange are not associated with the Seward Peninsula blueschists. The high-pressure metamorphism was caused by tectonic loading of a continental plate by an allochthon of indeterminate origin. The PT conditions of high pressure metamorphism were approximately 9–11 kbar, 400–450°C, thus falling between the PT paths of the Shuksan and Franciscan terranes.
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    Metamorphic and structural diachroneity in the Finnmarkian nappes of north Norway (1984)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 2 (1984), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract Two periods of garnet growth (Gt1 and Gt2) have been found in the Finnmarkian nappes of north Norway. In the Kolvik Nappe (the lowest nappe) Gt1 has preserved an S2 syntectonic spiral inclusion fabric; in the Olderfjord Nappe an earlier S1 fabric and an interkinematic inter-D1–D2 fabric have been preserved in Gt1 whilst only the S1 fabric has been found in Gt1 in the Brennsvik Nappe (the highest nappe). In each nappe Gt2 overgrew a penetrative fabric (S2) wrapped around Gt1. In the Kolvik Nappe inclusion fabrics may be continuous from Gt1 into Gt2 but in the higher nappes there is a distinct break. Gt2 may have been partially syntectonic with D3 in the Brennsvik Nappe.Chemically Gt1 in the Kolvik Nappe and in parts of the Olderfjord and Brennsvik Nappes has antithetic Fe-Mn zoning. In all nappes XCa and XMg are weakly zoned in Gt1; XMg increases outwards and is greater in the higher nappes in Gt1 suggesting higher nucleation temperatures. In the Olderfjord and Brennsvik Nappes Gt2 is marked by increasing XCa, probably due to changing garnet-plagioclase equilibria, although the Fe/Mg ratio remains constant. XMg is higher in Gt2 than Gt1.Basement rocks within the nappe pile have an early pre-Finnmarkian growth (Gt1) and a later Finnmarkian growth (GtH) correlated with Gt2 on the basis of chemical zoning patterns.The diachroneity of Gt1 is ascribed to progressively earlier (compared to the structural development) cessation of overstepping of garnet-forming reactions before peak metamorphism in the higher nappes, resulting in earlier structural events being preserved.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1984.tb00297.x
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    Fluid inclusions in rocks from the amphibolite-facies gneiss to charnockite progression in southern Karnataka, India: direct evidence concerning the fluids of granulite metamorphism (1984)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 2 (1984), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract Fluid inclusion studies of rocks from the late Archaean amphibolite-facies to granulite-facies transition zone of southern India provide support for the hypothesis that CO2,-rich H2O-poor fluids were a major factor in the origin of the high-grade terrain. Charnockites, closely associated leucogranites and quartzo-feldspathic veins contain vast numbers of large CO2-rich inclusions in planar arrays in quartz and feldspar, whereas amphibole-bearing gray gneisses of essentially the same compositions as adjacent charnockites in mixed-facies quarries contain no large fluid inclusions. Inclusions in the northernmost incipient charnockites, as at Kabbal, Karnataka, occasionally contain about 25 mol. % of immiscible H2O lining cavity walls, whereas inclusions from the charnockite massif terrane farther south do not have visibile H2OMicrothermometry of CO2 inclusions shows that miscible CH4 and N2 must be small, probably less than 10mol.%combined. Densities of CO2 increase steadily from north to south across the transitional terrane. Entrapment pressures calculated from the CO2 equation of state range from 5 kbar in the north to 7.5 kbar in the south at the mineralogically inferred average metamorphic temperature of 750°C, in quantitative agreement with mineralogic geobarometry. This agreement leads to the inference that the fluid inclusions were trapped at or near peak metamorphic conditions.Calculations on the stability of the charnockite assemblage biotite-orthopyroxene-K-feldspar-quartz show that an associated fluid phase must have less than 0.35 H2O activity at the inferred P and T conditions, which agrees with the petrographic observations. High TiO2 content of biotite stabilizes it to lower H2O activities, and the steady increase of biotite TiO2 southward in the area suggests progressive decrease of aH2O with increasing grade. Oxygen fugacities calculated from orthopyroxene-magnetite-quartz are considerably higher than the graphite CO2-O2 buffer, which explains the absence of graphite in the charnockites.The present study quantifies the nature of the vapours in the southern India granulite metamorphism. It remains to be determined whether CO2-flushing of the crust can, by itself, create large terranes of largeion lithophile-depleted granulites, or whether removal of H2O-bearing anatectic melts is essential.
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    Reaction pathways during the progressive deformation of a blueschist metabasite: the role of chemical disequilibrium and restricted range equilibrium (1984)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 2 (1984), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract There are discrete masses of un-deformed metabasite within the blueschist series of the island of Syros. Greece. Around the margins of these masses are zonal sequences through rocks showing intracrystalline deformation but without a geometric fabric, to rocks with discrete and anastomosing shear zones, and finally to penetratively foliated rocks with isolated relics of the original undeformed texture. Textural relics suggest that this spatial sequence is at least qualitatively also a temporal sequence.This progressive shear zone deformation took place concurrently with a glaucophane-epidote to eclogite reaction. The reaction pathways in the rocks that underwent the shear zone deformation can be compared with those in rocks of a similar composition that suffered a longer deformation history and show no relics of an undeformed parent. Although the final assemblages are in both cases the same, the pathways are different. These differences are in part related to reactions promoted by the change from local to bulk equilibrium on the onset of deformation in the rocks. They are also related to the crystallization and later breakdown during the sequence of progressive equilibration of a metastable phase, in this case an impure glaucophane.
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    URL: http://dx.doi.org/10.1111/j.1525-1314.1984.tb00291.x
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    P-T-X (CO2) conditions in mafic and calc-silicate hornfelses from Oberon, New South Wales, Australia (1984)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 2 (1984), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract The Rockley Volcanics from near Oberon, New South Wales occur within the aureole of the Carboniferous Bathurst Batholith and have been contact metamorphosed at P ∼ 100 ± 50MPa (10.5kbar) and a maximum T ∼ 565°C in the presence of a C–O–H fluid. Prior to contact metamorphism the volcanics were regionally metamorphosed and altered with the extensive development of actinolite, chlorite, plagioclase, quartz and calcite. The contact metamorphosed equivalents of these rocks have been subdivided into: Ca-poor (cordierite + gedrite), Mg-rich (amphibole + olivine + spinel), mafic (amphibole + plagioclase) and Ca-rich (amphibole + garnet + diopside; diopside + plagioclase; garnet + diopside + wollastonite) rocks.The chemistry of the minerals in the hornfelses was controlled by the bulk rock chemistry and fluid composition. Pargasites and hastingsites as well as an unusual phlogopite with blue green pleochroism, are found in Ca-rich hornfelses. A comparison of the assemblages with experimentally derived equilibria suggests that the fluid phase associated with the Ca-rich hornfelses was water-rich (Xco2= 0.1 to 0.3) while that associated with the Mg-rich hornfelses was enriched in CO2 (Xco2 〉 0.7). The different hornfels types have reacted to contact metamorphism independently in both their solid and fluid chemistries.
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    A garnet–hornblende geothermometer: calibration, testing, and application to the Pelona Schist, Southern California (1984)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 2 (1984), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract A garnet–hornblende Fe–Mg exchange geothermometer has been calibrated against the garnet–clinopyroxene geothermometer of Ellis & Green (1979) using data on coexisting garnet + hornblende + clinopyroxene in amphibolite and granulite facies metamorphic assemblages. Data for the Fe–Mg exchange reaction between garnet and hornblende have been fitted to the equation. In KD=Δ (XCa,g) where KD is the Fe–Mg distribution coefficient, using a robust regression approach, giving a thermometer of the form: with very satisfactory agreement between garnet–hornblende and garnet–clinopyroxene temperatures. The thermometer is applicable below about 850°C to rocks with Mn-poor garnet and common hornblende of widely varying chemistry metamorphosed at low aO2.Application of the garnet–hornblende geothermometer to Dalradian garnet amphibolites gives temperatures in good agreement with those predicted by pelite petrogenetic grids, ranging from 520°C for the lower garnet zone to 565–610°C for the staurolite to kyanite zones. These results suggest that systematic errors introduced by closure temperature problems in the application of the garnet–clinopyroxene geothermometer to the ‘calibration’data set are not serious. Application to ‘eclogitic’garnet amphibolites suggests that garnet and hornblende seldom attain Fe–Mg exchange equilibrium in these rocks.Quartzo-feldspathic and mafic schists of the Pelona Schist on Sierra Pelona, Southern California, were metamorphosed under high pressure greenschist, epidote–amphibolite and (oligoclase) amphibolite facies beneath the Vincent Thrust at pressures deduced to be 10±1 kbar using the phengite geobarometer, and 8–9kbar using the jadeite content of clinopyroxene in equilibrium with oligoclase and quartz. Application of the garnet–hornblende thermometer gives temperatures ranging from about 480°C at the garnet isograd through 570°C at the oligoclase isograd to a maximum of 620–650°C near the thrust. Inverted thermal gradients beneath the Vincent Thrust were in the range 170 to 250°C per km close to the thrust.
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    Bulk composition and mineral parageneses of sapphirine-bearing rocks along a gabbro-lherzolite contact at Finero, Ivrea Zone, N Italy (1983)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 1 (1983), S. 0 
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    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Sapphirine occurs in a 3-5 m wide zone between amphibole-lherzolite and garnetiferous metagabbro at Finero in the Ivrea Zone, NW Italian Alps. Layers consisting of plag + hb + sa + cpx + opx + sp + gt are interbanded with spinel pyroxenites, which may contain sapphirine replacing spinel. All minerals are very magnesian, with XMg between 0.78 and 0.92. Bulk rock analyses suggest that precursors to the sapphirine-bearing rocks were igneous cumulates of plagioclase + olivine + hornblende + spinel. Up to 16wt% CaO does not inhibit sapphirine formation and it is the unusually Mg-rich nature of the host rocks which allows sapphirine development. The early igneous assemblage was replaced by one of cpx + sa + hb +± plag at a pressure of 9 ± 1 kbar and temperatures of 900 ± 50°C. Subsequent rapid uplift caused the instability of gt, gt + hb, hb and sa + cpx to form opx + plag ± sp ± sa symplectites.
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    High pressure-low temperature metamorphism in the Gran Paradiso basement, Western Alps (1983)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 1 (1983), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: The Gran Paradiso basement complex of the French and Italian Alps is composed of metasediments, termed the gneiss minuti, and metabasic rocks, both of which are intruded by a late Hercynian granite. The Bonneval gneiss, which crops out at the western edge of the complex, is composed of highly deformed metasediments, volcanics and volcaniclastic rocks. Eclogites, now highly altered, occur in the metabasic rocks. Kyanite and blue-green amphibole are locally present in the gneiss minuti and aegirine plus riebeckite occur in the Bonneval gneiss. A moderately high pressure - low temperature metamorphic event of probable Alpine age occurred in the basement complex. This metamorphic event differs from that in the overlying Sesia unit and ophiolites of the Schistes lustrés nappe in being at lower pressures (below the ab = jd100+ qz transition) and post-dating the major (D2A) deformation. The origin of the metamorphism is discussed and interpreted as a probable consequence of the overlying nappe pile which was emplaced during the D2A event. Subsequent greenschist facies metamorphism in the basement complex is a consequence of thermal relaxation during uplift.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1983.tb00267.x
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  • 94
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    Contrasting textures in metamorphic and anatectic migmatites: an example from the Scottish Caledonides (1983)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 1 (1983), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Abstract. A method for the quantitative analysis of the spatial relations of minerals is described. Dispersed distributions are formed by annealing and destroyed in post-tectonic migmatization. Aggregate distributions characterize solid-state differentiation, whereas leucosomes formed in systems of high fluid:rock ratio (in the examples studied, anatectic melts) show random distributions.Quantitative textural analysis can be used to indicate whether migmatization was post-tectonic or earlier, though caution is necessary if post-migmatite cooling is slow or if there is some minor deformation. More importantly, it can be used to discriminate melt-present from melt-absent leucosomes; this is exemplified by a suite of metamorphic and anatectic migmatites from the Scottish Caledonides.The textural evolution of anatexites with increasing melt percentage is traced. Initial feldspar porphyroblastesis occurs by Ostwald ripening via grain boundary melts; subsequently ophthalmites develop with fabrics and chemistry inherited from the palaeosome. At greater than 30% melt these inherited fabrics are wholly destroyed. Deformation prompts segregation into melanosome and leucosome; resultant leucosomes contain no inherited crystals. The scale of anatectic systems is fixed at the point at which segregation begins; ophthalmites provide evidence for melt and crystal transfer beyond original palaeosome boundaries. In contrast, metamorphic migmatites are necessarily small-scale systems because of diffusive constraints, and melanosomes are invariably produced.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1983.tb00274.x
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  • 95
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    Petrology of pelitic schists in the oligoclase-biotite zone of the Sanbagawa metamorphic terrain, Japan: phase equilibria in the highest grade zone of a high-pressure intermediate type of metamorphic belt (1983)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 1 (1983), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: The oligoclase-biotite zone of the Bessi area, central Shikoku is characterized by sodic plagioclase (XCa= 0.10–0.28)-bearing assemblages in pelitic schists, and represents the highest-grade zone of the Sanbagawa metamorphic terrain. Mineral assemblages in pelitic schists of this zone, all with quartz, sodic plagioclase, muscovite and clinozoisite (or zoisite), are garnet + biotite + chlorite + paragonite, garnet + biotite + hornblende + chlorite, and partial assemblages of these two types. Correlations between mineral compositions, mineral assemblages and mineral stability data assuming PH2O = Psolid suggests that metamorphic conditions of this zone are about 610 ± 25°C and 10 ± 1 kbar.Based upon a comparative study of mineralogy and chemistry of pelitic schists in the oligoclase-biotite zone of the Sanbagawa terrain with those in the New Caledonia omphacite zone as an example of a typical high-pressure type of metamorphic belt and with those in a generalized‘upper staurolite zone’as an example of a medium-pressure type of metamorphic belt, progressive assemblages within these three zones can be related by reactions such as:
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1983.tb00269.x
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  • 96
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    A corundum and sapphirine paragenesis from the Limpopo Mobile Belt, southern Africa (1983)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 1 (1983), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: An assemblage consisting of corundum, sapphirine, spinel, cordierite, garnet, biotite and bronzite is described from the Messina area of the Limpopo Mobile Belt, and consideration given to its petrogenesis. Various geothermometers and geobarometers have been applied in an attempt to determine the temperatures and pressures of metamorphism.A former coexistence of garnet and corundum is suggested to have developed during the earliest high pressure phase of the metamorphism, where temperatures exceeded 800°C and pressures as high as 10kbar may have been experienced. Subsequently, continuous retrograding reactions from medium pressure granulite facies at about 800°C and 8kbar towards amphibolite facies generated spinel, cordierite, sapphirine and possibly also bronzite. The most notable reaction was probably of the form: garnet + corundum = cordierite + sapphirine + spinel.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1983.tb00262.x
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  • 97
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    A tectonic model for the metamorphic evolution of the Basal Gneiss Complex, Western South Norway (1983)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 1 (1983), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: A review of currently available information relevant to the Basal Gneiss Complex (BGC) of Western South Norway, combined with the authors’own observations, leads to the following conclusions.1. Most of the BGC consists of Proterozoic crystalline rocks and probably subordinate Lower Palaeozoic cover.2. The last major deformation of these rocks was during the Caledonian orogeny and involved large-scale thrusting, recumbent folding and doming. The structural development of the BGC is closely tied in with that of the Caledonian allochthon.3. The whole eclogite-bearing part of the BGC has suffered a high pressure metamorphism with conditions of between 550°C, 12.5 kbar (Sunnfjord) and about 750°C, 20 kbar (Møre og Romsdal) at the metamorphic climax.4. This metamorphism was of Caledonian age, probably rather early in the Caledonian tectonic history of the BGC and is considered to have been a rather transient event.By setting these conclusions in a framework provided by geophysical evidence for the deep structure of the crust in southern Norway we have constructed a geotectonic model to explain the recorded metamorphic history of the BGC. It is suggested that considerable crustal thickening was caused by imbrication of the Baltic plate margin during continental collision with the Greenland plate. This resulted in high pressure metamorphism in the resulting nappe stack. Progradation of the suture caused underthrusting of the Baltic foreland below the eclogite-bearing terrain causing it to emerge at the Earth's surface, aided by tectonic stripping and erosion.Application of isostacy equations to the model shows that eclogites can be formed by in-situ metamorphism in crustal rocks and reappear at the land surface above a normal thickness of crust in a single orogenic episode of approximately 65-70 Ma duration.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1983.tb00265.x
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  • 98
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    Geochronology and geological evolution of metamorphic rocks in the Field Islands area, East Antarctica (1983)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 1 (1983), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Detailed geochronological, structural and petrological studies reveal that the geological evolution of the Field Islands area, East Antarctica, was substantially similar to that of the adjacent Archaean Napier Complex, though with notable differences in late and post Archaean times. These differences reflect the area's proximity to the Proterozoic Rayner Complex and consequent vulnerability to tectonic process involved in the formation of the latter. Distinctive structural features of the Field Islands are (1) consistent development of a discordant, pervasive S3 axial-plane foliation; (2) re-orientation of S3 axial planes to approximate to the subsequent E-W tectonic trend of the nearby Rayner Complex; (3) selective retrogression by a post-D3 static thermal overprint; and (4) relatively common development of retrogressive, E-W-trending, mylonitic shear zones.Peak metamorphic conditions in excess of 800°C at 900 ± 100 M Pa (9 kbar) were attained at one locality following, but probably close to the time of D2 folding. D3 took place in late Archaean times when metamorphic temperatures were about 650°C and pressures were about 600 MPa (6 kbar). Later, temperatures of 600 ± 50°C and pressures of 700 MPa (7kbar) were attained in an amphibolite-facies event, presumably associated with the widespread granulite to amphibolite-facies metamorphism and intense deformation involved in the formation of the Rayner Complex at about 1100 Ma. The area was subsequently subjected to near-isothermal uplift.Rb-Sr isotopic data indicate that the pervasive D3 fabric developed at about 2400–2500 Ma, and this age can be further refined to 2456+8-5 Ma by concordant zircon analyses from a syn-D3 pegmatite. All zircons were affected by only minor (〈7–10%) Pb loss and/or new zircon growth during the Rayner event at about 1100Ma. Thus the 450–850 μg/gU concentrations of these zircons were too low to cause sufficient lattice damage over the 1350 Ma (from 2450 Ma) for excessive Pb to be lost during the 1100 Ma event. The emplacement of pegmatite at 522 ± 10 Ma substantially changed the Rb-Sr systematics of the only analysed rock that developed a penetrative fabric during the 1100 Ma event. Monazite in this pegmatite contains an inherited Pb component, which probably resides in small opaque inclusions.A good correlation is found between Rb-Sr total-rock ages and rock fabric. U-Pb zircon intercepts with concordia also mostly correspond to known events. However, in one example a near perfect alignment of zircon analyses, probably developed by mixing of unrelated components, produced concordia intercepts that appear to have no direct geochronological significance.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1983.tb00276.x
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  • 99
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    Two-pyroxene thermometry of Precambrian granulites from Cape Riche, Albany-Fraser Province, Western Australia (1984)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 2 (1984), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: Coexisting Ca-poor and Ca-rich pyroxenes in granulites at Cape Riche, in the Precambrian Albany-Fraser Province, Western Australia, are dominantly chemically homogeneous within individual samples, suggesting a major episode of equilibration. However, occasional grains in a few samples contain exsolved domains interpreted as relics of an earlier, higher-T assemblage. Pyroxene pairs in ten, presumably isothermal, samples from a restricted area are used to (i) assess the suitability of several versions of the two-pyroxene thermometer for application to metamorphic rocks, and (ii) determine the thermal history of the Cape Riche pyroxenes.The various versions of the two-pyroxene thermometer applied to the well-equilibrated homogeneous pyroxene grains show poor to good precision and yield mean temperatures varying widely from 683° to 893°C, in the following order of increasing T: Lindsley (1983; opx version), 683°± 11°C; Kretz (1982; KD version), 705°± 19°C; Ross & Huebner (1975), 709°± 30°C; Kretz (1982; solvus version), 735°± 24°C; Fonarev & Graphchikov (1982; opx version), 〈750°C; Lindsley (1983; cpx version), 784°± 40°C; Fonarev & Graphchikov (1982; cpx version), ~820°± 30°C; Wood & Banno (1973), 849°± 16°C; Powell (1978), 854°± 23°C; Wells (1977), 893°± 10°C. Independent T estimates, based on mafic assemblages and garnet-biotite thermometry, suggest that the major episode of metamorphism occurred at 700-800°C (P ~ 5 kbar). Therefore the Wells, Powell, Wood & Banno and Fonarev & Graphchikov (cpx) temperatures are almost certainly too high. In the absence of a more precise independent T estimate it is difficult to assess the relative merits of the results obtained from the remaining versions of the two-pyroxene thermometer, none of which can be unequivocally demonstrated to be seriously in error, though the Lindsley (opx) T is probably too low. Other significant shortcomings evident in the results include the relatively poor precision obtained from the three methods based on purely graphical representation of the augite limb of the solvus (i.e., the Ross & Huebner, Fonarev & Graphchikov (cpx) and Lindsley (cpx) versions), and the apparent dependence of derived T on Mg/Fe2+ ratio for the Powell, Wood & Banno and Lindsley (cpx) methods.For the bulk compositions of exsolved domains, the different versions of the two-pyroxene thermometer yield mean temperatures 23° to 82°C (overall mean, 65°C) higher than for homogeneous grains in the same samples. These exsolved domains are interpreted as relics of a higher-T (peak?) metamorphic assemblage, rather than an igneous precursor.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1984.tb00591.x
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    The amphibolite-granulite facies transition in West Uusimaa, S.W. Finland. A fluid inclusion study (1984)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of metamorphic geology 2 (1984), S. 0 
    Details
    ISSN: 1525-1314
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences
    Notes: This work presents the results of a fluid inclusion study of an amphibolite-granulite facies transition in West Uusimaa, S.W. Finland. Early fluid-inclusions in the granulite facies area are characteristically carbonic (CO2), in contrast to predominantly aqueous early inclusions in the amphibolite facies area. These early inclusions can be related to peak metamorphic conditions (750-820°C and 3-5 kbar for peak granulite facies metamorphism). Relatively young CO2 inclusions with low densities (〈0.8g/cm3) indicate that the first part of the cooling history of the rocks was characterized by a near isothermal uplift.N2-CH4 inclusions, with compositions ranging between pure CH4 and pure N2 (Raman spectral analysis), were found in the whole area. They are probably syn- or even pre-early inclusions. Only nearly critical homogenizing inclusions have been found (low density). Pressure estimates, based on densities of early fluid inclusions, show that the rapid transition of amphibolite towards granulite facies metamorphism is virtually isobaric. Granulite facies metamorphism in West Uusimaa is a thermal event, probably induced by the influx of hot, CO2-bearing fluids.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1525-1314.1984.tb00593.x
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