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  • American Institute of Physics (AIP)  (241,959)
  • Blackwell Publishing Ltd  (182,058)
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  • 1
    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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  • 2
    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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  • 3
    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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  • 4
    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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  • 5
    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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  • 6
    Publication Date: 2024-01-26
    Description: 〈title xmlns:mml="http://www.w3.org/1998/Math/MathML"〉Abstract〈/title〉〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉The increasing demand for biomass for food, animal feed, fibre and bioenergy requires optimization of soil productivity, while at the same time, protecting other soil functions such as nutrient cycling and buffering, carbon storage, habitat for biological activity and water filter and storage. Therefore, one of the main challenges for sustainable agriculture is to produce high yields while maintaining all the other soil functions. Mechanistic simulation models are an essential tool to fully understand and predict the complex interactions between physical, biological and chemical processes of soils that generate those functions. We developed a soil model to simulate the impact of various agricultural management options and climate change on soil functions by integrating the relevant processes mechanistically and in a systemic way. As a special feature, we include the dynamics of soil structure induced by tillage and biological activity, which is especially relevant in arable soils. The model operates on a 1D soil profile consisting of a number of discrete layers with dynamic thickness. We demonstrate the model performance by simulating crop growth, root growth, nutrient and water uptake, nitrogen cycling, soil organic matter turnover, microbial activity, water distribution and soil structure dynamics in a long‐term field experiment including different crops and different types and levels of fertilization. The model is able to capture essential features that are measured regularly including crop yield, soil organic carbon, and soil nitrogen. In this way, the plausibility of the implemented processes and their interactions is confirmed. Furthermore, we present the results of explorative simulations comparing scenarios with and without tillage events to analyse the effect of soil structure on soil functions. Since the model is process‐based, we are confident that the model can also be used to predict quantities that have not been measured or to estimate the effect of management measures and climate states not yet been observed. The model thus has the potential to predict the site‐specific impact of management decisions on soil functions, which is of great importance for the development of a sustainable agriculture that is currently also on the agenda of the ‘Green Deal’ at the European level.〈/p〉
    Description: Bundesministerium für Bildung und Forschung http://dx.doi.org/10.13039/501100002347
    Description: https://git.ufz.de/bodium/bodium_v1.0
    Keywords: ddc:631.4 ; agriculture ; computational model ; simulation ; soil microbiology ; soil structure ; sustainable soil
    Language: English
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  • 7
    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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  • 8
    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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  • 9
    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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  • 10
    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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  • 11
    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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  • 12
    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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  • 13
    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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  • 14
    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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  • 15
    Publication Date: 2022-10-04
    Description: Soil aeration is a critical factor for oxygen‐limited subsoil processes, as transport by diffusion and advection is restricted by the long distance to the free atmosphere. Oxygen transport into the soil matrix is highly dependent on its connectivity to larger pore channels like earthworm and root colonised biopores. Here we hypothesize that the soil matrix around biopores represents different connectivity depending on biopore genesis and actual coloniser. We analysed the soil pore system of undisturbed soil core samples around biopores generated or colonised by roots and earthworms and compared them with the pore system of soil, not in the immediacy of a biopore. Oxygen partial pressure profiles and gas relative diffusion was measured in the rhizosphere and drilosphere from the biopore wall into the bulk soil with microelectrodes. The measurements were linked with structural features such as porosity and connectivity obtained from X‐ray tomography and image analysis. Aeration was enhanced in the soil matrix surrounding biopores in comparison to the bulk soil, shown by higher oxygen concentrations and higher relative diffusion coefficients. Biopores colonised by roots presented more connected lateral pores than earthworm colonised ones, which resulted in enhanced aeration of the rhizosphere compared to the drilosphere. This has influenced biotic processes (microbial turnover/mineralization or root respiration) at biopore interfaces and highlights the importance of microstructural features for soil processes and their dependency on the biopore's coloniser.
    Description: Deutsche Forschungsgemeinschaft http://dx.doi.org/10.13039/501100001659
    Keywords: ddc:631.4
    Language: English
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  • 16
    Publication Date: 2022-10-01
    Description: Copper (Cu) is an essential element for plants and microorganisms and at larger concentrations a toxic pollutant. A number of factors controlling Cu dynamics have been reported, but information on quantitative relationships is scarce. We aimed to (i) quantitatively describe and predict soil Cu concentrations (CuAR) in aqua regia considering site‐specific effects and effects of pH, soil organic carbon (SOC) and cation exchange capacity (CEC), and (ii) study the suitability of mixed‐effects modelling and rule‐based models for the analysis of long‐term soil monitoring data. Thirteen uncontaminated long‐term monitoring soil profiles in southern Germany were analysed. Since there was no measurable trend of increasing CuAR concentrations with time in the respective depth ranges of the sites, data from different sampling dates were combined and horizon‐specific regression analyses including model simplifications were carried out for 10 horizons. Fixed‐ and mixed‐effects models with the site as a random effect were useful for the different horizons and significant contributions (either of main effects or interactions) of SOC, CEC and pH were present for 9, 8 and 7 horizons, respectively. Horizon‐specific rule‐based cubist models described the CuAR data similarly well. Validations of cubist models and mixed‐effects models for the CuAR concentrations in A horizons were successful for the given population after random splitting into calibration and validation samples, but not after independent validations with random splitting according to sites. Overall, site, CEC, SOC and pH provide important information for a description of CuAR concentrations using the different regression approaches. Highlights: Information on quantitative relationships for factors controlling Cu dynamics is scarce. Site, CEC, SOC and pH provide important information for a description of Cu concentrations. Validations of cubist models and mixed‐effects models for A horizons were successful for a closed population of sites.
    Description: Bavarian State Ministry of the Environment and Consumer Protection http://dx.doi.org/10.13039/501100010219
    Description: Ministry of Agriculture and Environment Mecklenburg‐Western Pomerania
    Keywords: ddc:631.4
    Language: English
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  • 17
    Publication Date: 2022-09-30
    Description: In recent years, German cities were heavily impacted by pluvial flooding and related damage is projected to increase due to climate change and urbanisation. It is important to ask how to improve urban pluvial flood risk management. To understand the current state of property level adaptation, a survey was conducted in four municipalities that had recently been impacted by pluvial flooding. A hybrid framework based on the Protection Motivation Theory (PMT) and the Protection Action Decision Model (PADM) was used to investigate drivers of adaptive behaviour through both descriptive and regression analyses. Descriptive statistics revealed that participants tended to instal more low‐ and medium‐cost measures than high‐cost measures. Regression analyses showed that coping appraisal increased protection motivation, but that the adaptive behaviour also depends on framing factors, particularly homeownership. We further found that, while threat appraisal solely affects protection motivation and responsibility appraisal affects solely maladaptive thinking, coping appraisal affects both. Our results indicate that PMT is a solid starting point to study adaptive behaviours in the context of pluvial flooding, but we need to go beyond that by, for instance, considering factors of the PADM, such as responsibility, ownership, or respondent age, to fully understand this complex decision‐making process.
    Description: Bundesministerium für Bildung und Forschung http://dx.doi.org/10.13039/501100002347
    Keywords: ddc:551.489 ; ddc:363.34
    Language: English
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  • 18
    Publication Date: 2022-09-27
    Description: Little research attention has been given to validating clusters obtained from the groundwater geochemistry of the waterworks' capture zone with a prevailing lake‐groundwater exchange. To address this knowledge gap, we proposed a new scheme whereby Gaussian finite mixture modeling (GFMM) and Spike‐and‐Slab Bayesian (SSB) algorithms were utilized to cluster the groundwater geochemistry while quantifying the probability of the resulting cluster membership against each other. We applied GFMM and SSB to 13 geochemical parameters collected during different sampling periods at 13 observation points across the Barnim Highlands plateau located in the northeast of Berlin, Germany; this included 10 observation wells, two lakes, and a gallery of drinking production wells. The cluster analysis of GFMM yielded nine clusters, either with a probability ≥0.8, while the SSB produced three hierarchical clusters with a probability of cluster membership varying from 〈0.2 to 〉0.8. The findings demonstrated that the clustering results of GFMM were in good agreement with the classification as per the principal component analysis and Piper diagram. By superimposing the parameter clustering onto the observation clustering, we could identify discrepancies that exist among the parameters of a certain cluster. This enables the identification of different factors that may control the geochemistry of a certain cluster, although parameters of that cluster share a strong similarity. The GFMM results have shown that from 2002, there has been active groundwater inflow from the lakes towards the capture zone. This means that it is necessary to adopt appropriate measures to reverse the inflow towards the lakes.
    Description: Article impact statement: The probability of cluster membership quantified using an algorithm should be validated against another probabilistic‐based classifier.
    Description: Federal Ministry of Education and Research http://dx.doi.org/10.13039/501100002347
    Keywords: ddc:551.9 ; ddc:551.49
    Language: English
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  • 19
    Publication Date: 2022-07-26
    Description: Application of farmyard manure (FYM) is common practice to improve physical and chemical properties of arable soil and crop yields. However, studies on effects of FYM application mainly focussed on topsoils, whereas subsoils have rarely been addressed so far. We, therefore, investigated the effects of 36‐year FYM application with different rates of annual organic carbon (OC) addition (0, 469, 938 and 1875 g C m−2 a−1) on OC contents of a Chernozem in 0–30 cm (topsoil) and 35–45 cm (subsoil) depth. We also investigated its effects on soil structure and hydraulic properties in subsoil. X‐ray computed tomography was used to analyse the response of the subsoil macropore system (≥19 μm) and the distribution of particulate organic matter (POM) to different FYM applications, which were related to contents in total OC (TOC) and water‐extractable OC (WEOC). We show that FYM‐C application of 469 g C m−2 a−1 caused increases in TOC and WEOC contents only in the topsoil, whereas rates of ≥938 g C m−2 a−1 were necessary for TOC enrichment also in the subsoil. At this depth, the subdivision of TOC into different OC sources shows that most of the increase was due to fresh POM, likely by the stimulation of root growth and bioturbation. The increase in subsoil TOC went along with increases in macroporosity and macropore connectivity. We neither observed increases in plant‐available water capacity nor in unsaturated hydraulic conductivity. In conclusion, only very high application of FYM over long periods can increase OC content of subsoil at our study site, but this increase is largely based on fresh, easily degradable POM and likely accompanied by high C losses when considering the discrepancy between OC addition rate by FYM and TOC response in soil. Highlights A new image processing procedure to distinguish fresh and decomposed POM. The increase of subsoil C stock based to a large extend on fresh, labile POM. Potential of arable subsoils for long‐term C storage by large FYM application rates is limited. The increase in TOC has no effect on hydraulic properties of the subsoil.
    Description: Deutsche Forschungsgemeinschaft http://dx.doi.org/10.13039/501100001659
    Keywords: ddc:631.4
    Language: English
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  • 20
    Publication Date: 2022-04-01
    Description: We present a workflow to estimate geostatistical aquifer parameters from pumping test data using the Python package welltestpy. The procedure of pumping test analysis is exemplified for two data sets from the Horkheimer Insel site and from the Lauswiesen site, Germany. The analysis is based on a semi‐analytical drawdown solution from the upscaling approach Radial Coarse Graining, which enables to infer log‐transmissivity variance and horizontal correlation length, beside mean transmissivity, and storativity, from pumping test data. We estimate these parameters of aquifer heterogeneity from type‐curve analysis and determine their sensitivity. This procedure, implemented in welltestpy, is a template for analyzing any pumping test. It goes beyond the possibilities of standard methods, for example, based on Theis' equation, which are limited to mean transmissivity and storativity. A sensitivity study showed the impact of observation well positions on the parameter estimation quality. The insights of this study help to optimize future test setups for geostatistical aquifer analysis and provides guidance for investigating pumping tests with regard to aquifer statistics using the open‐source software package welltestpy.
    Description: Article impact statement: We present a workflow to infer parameters of subsurface heterogeneity from pumping test data exemplified at two sites using welltestpy.
    Description: German Federal Environmental Foundation (DBU) http://dx.doi.org/10.13039/100007636
    Keywords: ddc:551.49
    Language: English
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  • 21
    Publication Date: 2022-04-01
    Description: In designed experiments, different sources of variability and an adequate scale of measurement need to be considered, but not all approaches in common usage are equally valid. In order to elucidate the importance of sources of variability and choice of scale, we conducted an experiment where the effects of biochar and slurry applications on soil properties related to soil fertility were studied for different designs: (a) for a field‐scale sampling design with either a model soil (without natural variability) as an internal control or with composited soils, (b) for a design with a focus on amendment variabilities, and (c) for three individual field‐scale designs with true field replication and a combined analysis representative of the population of loess‐derived soils. Three silty loam sites in Germany were sampled and the soil macroaggregates were crushed. For each design, six treatments (0, 0.15 and 0.30 g slurry‐N kg−1 with and without 30 g biochar kg−1) were applied before incubating the units under constant soil moisture conditions for 78 days. CO2 fluxes were monitored and soils were analysed for macroaggregate yields and associated organic carbon (C). Mixed‐effects models were used to describe the effects. For all soil properties, results for the loess sites differed with respect to significant contributions of fixed effects for at least one site, suggesting the need for a general inclusion of different sites. Analysis using a multilevel model allowed generalizations for loess soils to be made and showed that site:slurry:biochar and site:slurry interactions were not negligible for macroaggregate yields. The use of a model soil as an internal control enabled observation of variabilities other than those related to soils or amendments. Experiments incorporating natural variability in soils or amendments resulted in partially different outcomes, indicating the need to include all important sources of variability. Highlights Effects of biochar and slurry applications were studied for different designs and mixed‐effects models were used to describe the effects. Including an internal control allowed observation of, e.g., methodological and analytical variabilities. The results suggested the need for a general inclusion of different sites. Analysis using a multilevel model allowed generalizations for loess soils. The results indicated the need to include all important sources of variability.
    Keywords: ddc:631.4
    Language: English
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  • 22
    Publication Date: 2022-04-01
    Description: Temperate forest soils are often considered as an important sink for atmospheric carbon (C), thereby buffering anthropogenic CO2 emissions. However, the effect of tree species composition on the magnitude of this sink is unclear. We resampled a tree species common garden experiment (six sites) a decade after initial sampling to evaluate whether forest floor (FF) and topsoil organic carbon (Corg) and total nitrogen (Nt) stocks changed in dependence of tree species (Norway spruce—Picea abies L., European beech—Fagus sylvatica L., pedunculate oak—Quercus robur L., sycamore maple—Acer pseudoplatanus L., European ash—Fraxinus excelsior L. and small‐leaved lime—Tilia cordata L.). Two groups of species were identified in terms of Corg and Nt distribution: (1) Spruce with high Corg and Nt stocks in the FF developed as a mor humus layer which tended to have smaller Corg and Nt stocks and a wider Corg:Nt ratio in the mineral topsoil, and (2) the broadleaved species, of which ash and maple distinguished most clearly from spruce by very low Corg and Nt stocks in the FF developed as mull humus layer, had greater Corg and Nt stocks, and narrow Corg:Nt ratios in the mineral topsoil. Over 11 years, FF Corg and Nt stocks increased most under spruce, while small decreases in bulk mineral soil (esp. in 0–15 cm and 0–30 cm depth) Corg and Nt stocks dominated irrespective of species. Observed decadal changes were associated with site‐related and tree species‐mediated soil properties in a way that hinted towards short‐term accumulation and mineralisation dynamics of easily available organic substances. We found no indication for Corg stabilisation. However, results indicated increasing Nt stabilisation with increasing biomass of burrowing earthworms, which were highest under ash, lime and maple and lowest under spruce. Highlights We studied if tree species differences in topsoil Corg and Nt stocks substantiate after a decade. The study is unique in its repeated soil sampling in a multisite common garden experiment. Forest floors increased under spruce, but topsoil stocks decreased irrespective of species. Changes were of short‐term nature. Nitrogen was most stable under arbuscular mycorrhizal species.
    Description: Deutsche Forschungsgemeinschaff (DFG)
    Keywords: ddc:551.9 ; ddc:631.41
    Language: English
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  • 23
    Publication Date: 2021-09-29
    Description: Coping with the growing impacts of flooding in EU countries, a paradigm shift in flood management can be observed, moving from safety‐based towards risk‐based approaches and holistic perspectives. Flood resilience is a common denominator of most of the approaches. In this article, we present the ‘Flood Resilience Rose’ (FRR), a management tool to promote harmonised action towards flood resilience in European regions and beyond. The FRR is a result of a two‐step process. First, based on scientific concepts as well as analysis of relevant policy documents, we identified three ‘levels of operation’. The first level refers to the EU Floods Directive and an extended multi‐layer safety approach, comprising the four different layers of protection, prevention, preparedness and recovery, and related measures to be taken. This level is not independent but depends both on the institutional (second level) and the wider (third level) context. Second, we used surveys, semi‐structured interviews and group discussions during workshops with experts from Belgium, Denmark, Germany, the Netherlands and the United Kingdom to validate the definitions and the FRR's practical relevance. The presented FRR is thus the result of rigorous theoretical and practical consideration and provides a tool capable to strengthen flood risk management practice.
    Description: European Regional Development Fund http://dx.doi.org/10.13039/501100008530
    Keywords: 551.48 ; flood defence measures ; governance and institutions ; integrated flood risk management ; resilience
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  • 24
    Publication Date: 2021-07-05
    Description: Nitrogen (N) fertilization is the major contributor to nitrous oxide (N2O) emissions from agricultural soil, especially in post‐harvest seasons. This study was carried out to investigate whether ryegrass serving as cover crop affects soil N2O emissions and denitrifier community size. A microcosm experiment was conducted with soil planted with perennial ryegrass (Lolium perenne L.) and bare soil, each with four levels of N fertilizer (0, 5, 10 and 20 g N m−2; applied as calcium ammonium nitrate). The closed‐chamber approach was used to measure soil N2O fluxes. Real‐time PCR was used to estimate the biomass of bacteria and fungi and the abundance of genes involved in denitrification in soil. The results showed that the presence of ryegrass decreased the nitrate content in soil. Cumulative N2O emissions of soil with grass were lower than in bare soil at 5 and 10 g N m−2. Fertilization levels did not affect the abundance of soil bacteria and fungi. Soil with grass showed greater abundances of bacteria and fungi, as well as microorganisms carrying narG, napA, nirK, nirS and nosZ clade I genes. It is concluded that ryegrass serving as a cover crop holds the potential to mitigate soil N2O emissions in soils with moderate or high NO3− concentrations. This highlights the importance of cover crops for the reduction of N2O emissions from soil, particularly following N fertilization. Future research should explore the full potential of ryegrass to reduce soil N2O emissions under field conditions as well as in different soils. Highlights This study was to investigate whether ryegrass serving as cover crop affects soil N2O emissions and denitrifier community size; Plant reduced soil N substrates on one side, but their root exudates stimulated denitrification on the other side; N2O emissions were lower in soil with grass than bare soil at medium fertilizer levels, and growing grass stimulated the proliferation of almost all the denitrifying bacteria except nosZ clade II; Ryegrass serving as a cover crop holds the potential to mitigate soil N2O emissions.
    Description: China Scholarship Council http://dx.doi.org/10.13039/501100004543
    Description: The National Science Project for University of Anhui Province
    Keywords: 551.9 ; 631.4 ; denitrification ; perennial ryegrass (Lolium perenne L.) ; soil bacteria ; soil CO2 emissions ; soil N2O emissions
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  • 25
    Publication Date: 2021-07-05
    Description: Sustainable arable cropping relies on repeated liming. Yet, the associated increase in soil pH can reduce the availability of iron (Fe) to plants. We hypothesized that repeated liming, but not pedogenic processes such as lessivage (i.e., translocation of clay particles), alters the Fe cycle in Luvisol soil, thereby affecting Fe isotope composition in soils and crops. Hence, we analysed Fe concentrations and isotope compositions in soil profiles and winter rye from the long‐term agricultural experimental site in Berlin‐Dahlem, Germany, where a controlled liming trial with three field replicates per treatment has been conducted on Albic Luvisols since 1923. Heterogeneity in subsoil was observed at this site for Fe concentration but not for Fe isotope composition. Lessivage had not affected Fe isotope composition in the soil profiles. The results also showed that almost 100 years of liming lowered the concentration of the HCl‐extractable Fe that was potentially available for plant uptake in the surface soil (0–15 cm) from 1.03 (standard error (SE) 0.03) to 0.94 (SE 0.01) g kg−1. This HCl‐extractable Fe pool contained isotopically lighter Fe (δ56Fe = −0.05 to −0.29‰) than the bulk soil (δ56Fe = −0.08 to 0.08‰). However, its Fe isotope composition was not altered by the long‐term lime application. Liming resulted in relatively lower Fe concentrations in the roots of winter rye. In addition, liming led to a heavier Fe isotope composition of the whole plants compared with those grown in the non‐limed plots (δ56FeWholePlant_ + Lime = −0.12‰, SE 0.03 vs. δ56FeWholePlant_‐Lime = −0.21‰, SE 0.01). This suggests that the elevated soil pH (increased by one unit due to liming) promoted the Fe uptake strategy through complexation of Fe(III) from the rhizosphere, which favoured heavier Fe isotopes. Overall, the present study showed that liming and a related increase in pH did not affect the Fe isotope compositions of the soil, but may influence the Fe isotope composition of plants grown in the soil if they alter their Fe uptake strategy upon the change of Fe availability. Highlights Fe concentrations and stocks, but not Fe isotope compositions, were more heterogeneous in subsoil than in topsoil. Translocation of clay minerals did not result in Fe isotope fractionation in the soil profile of a Luvisol. Liming decreased Fe availability in topsoil, but did not affect its δ56Fe values. Uptake of heavier Fe isotopes by graminaceous crops was more pronounced at elevated pH.
    Description: Bundesministerium für Bildung und Forschung http://dx.doi.org/10.13039/501100002347
    Keywords: 551.9 ; liming ; plant‐available Fe pool in soil ; winter rye ; δ56Fe
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  • 26
    Publication Date: 2021-07-04
    Description: Most common machine learning (ML) algorithms usually work well on balanced training sets, that is, datasets in which all classes are approximately represented equally. Otherwise, the accuracy estimates may be unreliable and classes with only a few values are often misclassified or neglected. This is known as a class imbalance problem in machine learning and datasets that do not meet this criterion are referred to as imbalanced data. Most datasets of soil classes are, therefore, imbalanced data. One of our main objectives is to compare eight resampling strategies that have been developed to counteract the imbalanced data problem. We compared the performance of five of the most common ML algorithms with the resampling approaches. The highest increase in prediction accuracy was achieved with SMOTE (the synthetic minority oversampling technique). In comparison to the baseline prediction on the original dataset, we achieved an increase of about 10, 20 and 10% in the overall accuracy, kappa index and F‐score, respectively. Regarding the ML approaches, random forest (RF) showed the best performance with an overall accuracy, kappa index and F‐score of 66, 60 and 57%, respectively. Moreover, the combination of RF and SMOTE improved the accuracy of the individual soil classes, compared to RF trained on the original dataset and allowed better prediction of soil classes with a low number of samples in the corresponding soil profile database, in our case for Chernozems. Our results show that balancing existing soil legacy data using synthetic sampling strategies can significantly improve the prediction accuracy in digital soil mapping (DSM). Highlights Spatial distribution of soil classes in Iran can be predicted using machine learning (ML) algorithms. The synthetic minority oversampling technique overcomes the drawback of imbalanced and highly biased soil legacy data. When combining a random forest model with synthetic sampling strategies the prediction accuracy of the soil model improves significantly. The resulting new soil map of Iran has a much higher spatial resolution compared to existing maps and displays new soil classes that have not yet been mapped in Iran.
    Description: Alexander von Humboldt‐Stiftung http://dx.doi.org/10.13039/100005156
    Description: German Research Foundation http://dx.doi.org/10.13039/501100001659
    Description: Soil and Water Research Institute, Agricultural Research, Education and Extension Organization, Karaj, Iran
    Keywords: 631.4 ; covariates ; imbalanced data ; machine learning ; random forest ; soil legacy data
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  • 27
    Publication Date: 2021-07-04
    Description: High‐performance numerical codes are an indispensable tool for hydrogeologists when modeling subsurface flow and transport systems. But as they are written in compiled languages, like C/C++ or Fortran, established software packages are rarely user‐friendly, limiting a wider adoption of such tools. OpenGeoSys (OGS), an open‐source, finite‐element solver for thermo‐hydro‐mechanical–chemical processes in porous and fractured media, is no exception. Graphical user interfaces may increase usability, but do so at a dramatic reduction of flexibility and are difficult or impossible to integrate into a larger workflow. Python offers an optimal trade‐off between these goals by providing a highly flexible, yet comparatively user‐friendly environment for software applications. Hence, we introduce ogs5py, a Python‐API for the OpenGeoSys 5 scientific modeling package. It provides a fully Python‐based representation of an OGS project, a large array of convenience functions for users to interact with OGS and connects OGS to the scientific and computational environment of Python.
    Description: German Federal Environmental Foundation http://dx.doi.org/10.13039/100007636
    Description: Deutsche Forschungsgemeinschaft http://dx.doi.org/10.13039/501100001659
    Keywords: 551.49 ; hydrogeology ; subsurface flow ; modeling ; software
    Type: article
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  • 28
    Publication Date: 2021-06-28
    Description: Efforts to collaboratively manage the risk of flooding are ultimately based on individuals learning about risks, the decision process, and the effectiveness of decisions made in prior situations. This article argues that much can be learned about a governance setting by explicitly evaluating the relationships through which influential individuals and their immediate contacts receive and send information to one another. We define these individuals as “brokers,” and the networks that emerge from their interactions as “learning spaces.” The aim of this article is to develop strategies to identify and evaluate the properties of a broker's learning space that are indicative of a collaborative flood risk management arrangement. The first part of this article introduces a set of indicators, and presents strategies to employ this list so as to systematically identify brokers, and compare their learning spaces. The second part outlines the lessons from an evaluation that explored cases in two distinct flood risk management settings in Germany. The results show differences in the observed brokers' learning spaces. The contacts and interactions of the broker in Baden‐Württemberg imply a collaborative setting. In contrast, learning space of the broker in North Rhine‐Westphalia lacks the same level of diversity and polycentricity.
    Description: Deutsche Forschungsgemeinschaft http://dx.doi.org/10.13039/501100001659
    Description: MWK Baden‐Württemberg
    Keywords: 333.91 ; brokerage ; collaborative water governance ; comanagement ; comparative analysis ; social networks
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  • 29
    Publication Date: 2021-06-27
    Description: Social inequalities lead to flood resilience inequalities across social groups, a topic that requires improved documentation and understanding. The objective of this paper is to attend to these differences by investigating self‐stated flood recovery across genders in Vietnam as a conceptual replication of earlier results from Germany. This study employs a regression‐based analysis of 1,010 respondents divided between a rural coastal and an urban community in Thua Thien‐Hue province. The results highlight an important set of recovery process‐related variables. The set of relevant variables is similar across genders in terms of inclusion and influence, and includes age, social capital, internal and external support after a flood, perceived severity of previous flood impacts, and the perception of stress‐resilience. However, women were affected more heavily by flooding in terms of longer recovery times, which should be accounted for in risk management. Overall, the studied variables perform similarly in Vietnam and Germany. This study, therefore, conceptually replicates previous results suggesting that women display slightly slower recovery levels as well as that psychological variables influence recovery rates more than adverse flood impacts. This provides an indication of the results' potentially robust nature due to the different socio‐environmental contexts in Germany and Vietnam.
    Keywords: 333.7 ; flood recovery ; resilience ; societal equity ; vulnerability
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  • 30
    Publication Date: 2021-06-27
    Description: Transport processes that lead to exchange of mass between surface water and groundwater play a significant role for the ecological functioning of aquatic systems, for hydrological processes and for biogeochemical transformations. In this study, we present a novel integral modeling approach for flow and transport at the sediment–water interface. The model allows us to simultaneously simulate turbulent surface and subsurface flow and transport with the same conceptual approach. For this purpose, a conservative transport equation was implemented to an existing approach that uses an extended version of the Navier–Stokes equations. Based on previous flume studies which investigated the spreading of a dye tracer under neutral, losing and gaining flow conditions the new solver is validated. Tracer distributions of the experiments are in close agreement with the simulations. The simulated flow paths are significantly affected by in‐ and outflowing groundwater flow. The highest velocities within the sediment are found for losing condition, which leads to shorter residence times compared to neutral and gaining conditions. The largest extent of the hyporheic exchange flow is observed under neutral condition. The new solver can be used for further examinations of cases that are not suitable for the conventional coupled models, for example, if Reynolds numbers are larger than 10. Moreover, results gained with the integral solver provide high‐resolution information on pressure and velocity distributions at the rippled streambed, which can be used to improve flow predictions. This includes the extent of hyporheic exchange under varying ambient groundwater flow conditions.
    Description: Technische Universität Berlin, Germany
    Description: German Research Foundation http://dx.doi.org/10.13039/501100001659
    Keywords: 551.4 ; aquatic systems ; sediment-water interface ; transport model
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  • 31
    facet.materialart.
    Unknown
    American Institute of Physics (AIP)
    In:  Journal of Renewable and Sustainable Energy, 6 (1). Art.-Nr.: 013116.
    Publication Date: 2021-06-23
    Description: Eutrophication combined with climate change has caused ephemeral filamentous macroalgae to increase and drifts of seaweed cover large areas of some Baltic Sea sites during summer. In ongoing projects, these mass occurrences of drifting filamentous macroalgae are being harvested to mitigate eutrophication, with preliminary results indicating considerable nutrient reduction potential. In the present study, an energy assessment was made of biogas production from the retrieved biomass for a Baltic Sea pilot case. Use of different indicators revealed a positive energy balance. The energy requirements corresponded to about 30%–40% of the energy content in the end products. The net energy gain was 530–800 MJ primary energy per ton wet weight of algae for small-scale and large-scale scenarios, where 6 000 and 13 000 tonnes dwt were harvested, respectively. However, the exergy efficiency differed from the energy efficiency, emphasising the importance of taking energy quality into consideration when evaluating energy systems. An uncertainty analysis indicated parametric uncertainty of about 25%–40%, which we consider to be acceptable given the generally high sensitivity of the indicators to changes in input data, allocation method, and system design. Overall, our evaluation indicated that biogas production may be a viable handling strategy for retrieved biomass, while harvesting other types of macroalgae than red filamentous species considered here may render a better energy balance due to higher methane yields.
    Type: Article , PeerReviewed
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  • 32
    Publication Date: 2021-06-16
    Description: The application of biochar to agricultural soils to increase nutrient availability, crop production and carbon sequestration has gained increasing interest but data from field experiments on temperate, marginal soils are still under‐represented. In the current study, biochar, produced from organic residues (digestates) from a biogas plant, was applied with and without digestates at low (3.4 t ha−1) and intermediate (17.1 t ha−1) rates to two acidic and sandy soils in northern Germany that are used for corn (Zea mays L.) production. Soil nutrient availability, crop yields, microbial biomass and carbon dioxide (CO2) emissions from heterotrophic respiration were measured over two consecutive years. The effects of biochar application depended on the intrinsic properties of the two tested soils and the biochar application rates. Although the soils at the fallow site, with initially low nutrient concentrations, showed a significant increase in pH, soil nutrients and crop yield after low biochar application rates, a similar response was found at the cornfield site only after application of substantially larger amounts of biochar. The effect of a single dose of biochar at the beginning of the experiment diminished over time but was still detectable after 2 years. Whereas plant available nutrient concentrations increased after biochar application, the availability of potentially phytotoxic trace elements (Zn, Pb, Cd, Cr) decreased significantly, and although slight increases in microbial biomass carbon and heterotrophic CO2 fluxes were observed after biochar application, they were mostly not significant. The results indicate that the application of relatively small amounts of biochar could have positive effects on plant available nutrients and crop yields of marginal arable soils and may decrease the need for mineral fertilizers while simultaneously increasing the sequestration of soil organic carbon. Highlights A low rate of biochar increased plant available nutrients and crop yield on marginal soils. Biochar application reduced the availability of potentially harmful trace elements. Heterotrophic respiration showed no clear response to biochar application. Biochar application may reduce fertilizer need and increase carbon sequestration on marginal soils.
    Description: German Academic Exchange Service http://dx.doi.org/10.13039/501100001655
    Description: Institute Strategic Programme grants, “Soils to Nutrition”
    Keywords: 631.4 ; black carbon ; carbon sequestration ; corn ; digestate ; heterotrophic respiration ; marginal soils ; microbial biomass
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  • 33
    facet.materialart.
    Unknown
    American Institute of Physics (AIP)
    In:  Physics Today, 51 (12). p. 32.
    Publication Date: 2021-02-25
    Description: Bringer of storms and droughts, the El Niño∕Southern Oscillation results from the complex, sometimes chaotic interplay of ocean and atmosphere.
    Type: Article , PeerReviewed
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  • 34
    facet.materialart.
    Unknown
    American Institute of Physics (AIP)
    In:  Journal of Applied Physics, 3 (6). pp. 273-295.
    Publication Date: 2020-06-11
    Description: The theory of the interpretation of seismic travel‐time curves for refracted rays in horizontal structures is treated after the manner of Herglotz‐Wiechert, under the customary assumption that the ray paths obey the laws of geometrical optics. Multiple valued travel‐time curves, discontinuous velocity functions, and the discontinuous travel‐time curves associated with a slower speed bed receive special consideration. It appears that interpretations satisfactory from the theoretical point of view may be obtained in these cases, although, experimentally, sufficiently complete data to meet the requirements of theory may often be difficult or impossible to obtain.
    Type: Article , PeerReviewed
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  • 35
    Publication Date: 2020-02-24
    Description: An earthquake of Mw=6.3 struck L’Aquila town (central Italy) on April 6, 2009 rupturing an approximately 18 km long SW-dipping normal fault. The aftershock area extended for a length of more than 35 km and included major aftershocks on April 7 and 9, and thousands of minor events. Surface faulting occurred along the SW-dipping Paganica fault with a continuous extent of ~2.5 km. Ruptures consist of open cracks and vertical dislocations or warps (0.1 maximum throw) with an orientation of N130°-N140°. Small triggered slip and shaking effects also took place along nearby synthetic and antithetic normal faults. The observed limited extent, and small surface displacement, of the Paganica ruptures with respect to the height of the fault scarps and vertical throws of paleoearthquakes along faults in the area, puts the faulting associated with the L’Aquila earthquake in perspective with respect to the maximum expected magnitude, and the regional seismic hazard.
    Description: In press
    Description: 3.2. Tettonica attiva
    Description: JCR Journal
    Description: open
    Keywords: 2009 L’Aquila seismic sequence ; co-seismic surface effects ; earthquake geology ; normal faulting earthquake ; Abruzzi, central Apennines ; 04. Solid Earth::04.04. Geology::04.04.01. Earthquake geology and paleoseismology
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 36
    Publication Date: 2020-02-24
    Description: An earthquake of Mw = 6.3 struck L Aquila town (central Italy) on 6 April 2009 rupturing an ~18-km-long SW-dipping normal fault. The aftershock area extended for a length of more than 35 km and included major aftershocks on 7 and 9 April and thousands of minor events. Surface faulting occurred along the SW-dipping Paganica fault with a continuous extent of ~2.5 km. Ruptures consist of open cracks and vertical dislocations or warps (0.1m maximum throw) with an orientation of N130°–140°. Small triggered slip and shaking effects also took place along nearby synthetic and antithetic normal faults. The observed limited extent and small surface displacement of the Paganica ruptures with respect to the height of the fault scarps and vertical throws of palaeo-earthquakes along faults in the area put the faulting associated with the L' Aquila earthquake in perspective with respect to the maximum expected magnitude and the regional seismic hazard.
    Description: Published
    Description: 43-51
    Description: 3.2. Tettonica attiva
    Description: JCR Journal
    Description: reserved
    Keywords: surface faulting from moderate earthquake ; coseismic effects ; L'Aquila earthquake ; cemtral Italy ; 04. Solid Earth::04.04. Geology::04.04.01. Earthquake geology and paleoseismology
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 37
    Publication Date: 2020-01-02
    Description: This review article aims to provide an overview and insight into the most relevant aspects of wind energy development and current state-of-the-art. The industry is in a very mature stage, so it seems to be the right time to take stock of the relevant areas of wind energy use for power generation. For this review, the authors considered the essential aspects of the development of wind energy technology: research, modeling, and prediction of wind speed as an energy source, the technology development of the plants divided into the mechanical and electrical systems and the plant control, and finally the optimal plant operation including the maintenance strategies. The focus is on the development in Europe, with a partial focus on Germany. The authors are employees of the Fraunhofer Institutes, Institute for Energy Economics and Energy Systems Technology and Institute for Wind Energy Systems, who have contributed to the development of this technology for decades.
    Type: Article , PeerReviewed
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  • 38
    Publication Date: 2017-04-04
    Description: Most of the ancient town of Tindari (NE, Sicily) was settled on a plateau the most surficial layer of which was made of unconsolidated material. Ongoing excavations at the archaeological site at Tindari uncovered a large portion of the decumanus which suffered deformations preliminarily assigned to coseismic effects. An analysis of the local dynamic response through the simulation of strong seismic shaking to the bedrock and modelling of spectral ratios of the bedrock-soft soil was carried out to verify the susceptibility of superficial terrains of the promontory to coseismic deformations. To perform this simulation the finite element method (FEM) was used. Four accelerometric recordings of three earthquakes of medium-high magnitude, recorded on rocky sites, were chosen to simulate the seismic shaking, using a constitutive law for the materials composing the promontory layers both of linear-elastic type and of elastoplastic type. The analysis of the linear-elastic field allowed the definition of the frequencies for which the spectral ratios of the accelerations recorded the highest amplifications; in particular the frequency range 31.5–37.2 Hz can be combined with deformation of the paved floor of the decumanus. The analysis in the elastoplastic field highlighted the zones of promontory more susceptible to suffer plasticization process. The results show that the topmost layer of the decumanus is the most susceptible to suffer plasticization. Therefore, the performed analysis lends greater support to the hypothesis that the deformations were produced by seismic shaking.
    Description: Published
    Description: 213-222
    Description: 3.10. Sismologia storica e archeosismologia
    Description: JCR Journal
    Description: reserved
    Keywords: Fourier analysis ; Elasticity and anelasticity ; Earthquake ground motions ; Site effects ; Computational seismology ; 04. Solid Earth::04.06. Seismology::04.06.99. General or miscellaneous ; 04. Solid Earth::04.06. Seismology::04.06.05. Historical seismology
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 39
    Publication Date: 2017-04-04
    Description: The tectonic deformation of the Lipari-Vulcano complex, one of the most important active volcanic areas of Mediterranean region, is studied here through the analysis of ten years (1996-2006) of GPS data from both 3 permanent and 13 non-permanent stations. This area can be considered crucial for the understanding of the Eurasia-Africa plates interaction in the Mediterranean area, and, in general, this work emphasize a methodological approach, already applied in other areas worldwide (e.g. Shen et al., 1996, El-Fiki and Kato, 1999) where geodetic data and strain parameters maps of critical areas can help to improve our understanding of their geodynamical aspects. In this framework, this study is aimed at providing a kinematic deformation model on the basis of the dense geodetically estimated velocities of the Lipari-Vulcano complex. In particular, the observed deformation pattern can be described by a mix between 1) the main N-S regional compression and 2) a NNE-SSW compression with a small right-lateral strike slip component acting along a tectonic structure N°40W trending located between the two islands. This pattern was inspected through a simplified synthetic model.
    Description: This research has benefited from funding provided by the Italian Presidenza del Consiglio dei Ministri – Dipartimento della Protezione Civile (DPC).
    Description: Published
    Description: 370–377
    Description: 1.9. TTC - Rete GPS nazionale
    Description: JCR Journal
    Description: reserved
    Keywords: GPS ; Aeolian Islands ; strain ; modelling ; 04. Solid Earth::04.03. Geodesy::04.03.01. Crustal deformations
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 40
    Publication Date: 2017-04-04
    Description: Recent geological studies performed at Etna allow reassessing the stratigraphic frame of the volcano where distinct evolutionary phases are defined. This stratigraphic reconstruction was chronologically constrained on the basis of a limited number of U–Th and K–Ar age determinations whose uncertainty margins are sometimes too wide. For this reason, we successfully adopted at Etna the 40Ar/39Ar technique that allowed obtaining more precise age determinations. The incremental heating technique also gives information on sample homogeneity, and potential problems of trapped argon. Five samples were collected from stratigraphically well-controlled volcanic units in order to chronologically define the transition between the fissure-type volcanism of the Timpe phase to the central volcanism of the Valle del Bove Centers. Isotopic ages with an uncertainty margin of 2–4% have been obtained emphasizing that this transition occurred (130– 126 ka) without significant temporal hiatus.
    Description: University of Catania grants (COFIN- 2002, resp. F. Lentini); CNR-IDPA and INGV-Sezione di Catania grants.
    Description: Published
    Description: 292-298
    Description: 3.5. Geologia e storia dei sistemi vulcanici
    Description: JCR Journal
    Description: reserved
    Keywords: 40Ar/39Ar dating ; Etna ; 04. Solid Earth::04.04. Geology::04.04.99. General or miscellaneous
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  • 41
    Publication Date: 2017-04-04
    Description: The paper describes a case of a natural emission of methane from soil in an urban development area, generating a significant risk for the local population and buildings, due to gas explosiveness and asphyxiation potential. The site is located on the south-western margin of the East-European Platform in eastern Romania, in a hydrocarbon-prone area crossed by the Pericarpathian lineament and regional faults. Molecular composition of gas and stable isotopic analyses of methane (CH4〉90%, δ to the power of 13 C1: -49.4‰, δD1: -173.4‰) indicate a dominant thermogenic origin, with significant amounts of C2-C5 alkanes (~5%), likely migrating through faults from a deep reservoir. Possible candidates are the Saucesti and Secuieni gas fields, located in the same petroleum system. Two surface geochemical surveys, based on closed-chamber flux measurements, were performed to assess the degassing intensity and the extent of the affected area. Methane fluxes from soil reach orders of 10 to the power of 4 mg m to the power of -2 day to the power of -1. Gas seepage mainly occurs in one zone 30 000 m2 wide, and it is likely controlled by channeling along a fault and gas accumulation in permeable sediments and shallow subsoil. The estimated total CH4 emission is about 40 t year to the power of -1 CH4, of which 8–9 t year to the power of -1 are naturally released from soil and 30–35 t year to the power of -1 are emitted from shallow boreholes. These wells have likely channeled the gas accumulated in shallow alluvial sediment but gas flux from soil is still high and mitigation measures are needed to reduce the risk for humans and buildings.
    Description: Published
    Description: 311-320
    Description: 3.8. Geofisica per l'ambiente
    Description: JCR Journal
    Description: reserved
    Keywords: gas hazard ; methane seepage ; soil degassing ; thermogenic gas ; 03. Hydrosphere::03.04. Chemical and biological::03.04.05. Gases
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 42
    Publication Date: 2017-04-04
    Description: The Chimaera gas seep, near Antalya (SW Turkey), has been continuously active for thousands of years and it is known to be the source of the first Olympic fire in the Hellenistic period. New and thorough molecular and isotopic analyses including methane (approximately 87% v/v; δ to the power of 13 C1 from -7.9‰ to -12.3‰; δ to the power of 13 D1 from -119‰ to -124‰), light alkanes (C2 + C3 + C4 + C5 = 0.5%; C6+: 0.07%; δ to the power of 13 C2 from -24.2‰ to -26.5‰; δ to the power of 13 C3 from -25.5‰ to -27‰), hydrogen (7.5–11%), carbon dioxide (0.01–0.07%; δ to the power of 13 CCO2: -15‰), helium (approximately 80 ppmv; R/Ra: 0.41) and nitrogen (2–4.9%; δ to the power of 15 N from -2‰ to -2.8‰) converge to indicate that the seep releases a mixture of organic thermogenic gas, related to mature type III kerogen occurring in Palaeozoic and Mesozoic organic-rich sedimentary rocks, and abiogenic gas produced by low-temperature serpentinization in the Tekirova ophiolitic unit. Methane is not related to mantle or magma degassing. The abiogenic fraction accounts for about half of the total gas released, which is estimated to be well beyond 50 ton year to the power of -1. Ophiolites and limestones are in contact along a tectonic dislocation leading to gas mixing and migration to the Earth’s surface. Chimaera represents the biggest emission of abiogenic methane on land discovered so far. Deep and pressurized gas accumulations are necessary to sustain the Chimaera gas flow for thousands of years and are likely to have been charged by an active inorganic source.
    Description: Published
    Description: 263-273
    Description: 3.8. Geofisica per l'ambiente
    Description: JCR Journal
    Description: reserved
    Keywords: abiogenic methane ; isotopic composition ; ophiolites ; seep ; serpentinization ; 03. Hydrosphere::03.04. Chemical and biological::03.04.05. Gases
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  • 43
    Publication Date: 2017-04-04
    Description: In eastern Elba Island (Tuscany, Italy), a shallow crustal level felsic, tourmaline-bearing, dyke-sill swarm of Late Miocene age is associated with abundant tourmaline-quartz hydrothermal veins and metasomatic masses. Development of these veins and masses in the host rocks demonstrates multiple hydro-fracturing by magmatic, boron-rich saline fluid. Tourmalines in felsic dykes are schorl, whereas in veins and metasomatic masses, tourmaline composition ranges from schorl-dravite through dravite to uvite. This compositional shift is evidence for an increasing contribution to the magmatic boron-rich fluids by a Mg-Ca-Ti-rich external component represented by biotite-rich and amphibolite host rocks. This system can be envisaged as an exposed proxy of the high temperature hydrothermal system presently active in the deepest part of the Larderello-Travale geothermal field (Tuscany).
    Description: Published
    Description: 318-326
    Description: 3.3. Geodinamica e struttura dell'interno della Terra
    Description: 3.5. Geologia e storia dei sistemi vulcanici
    Description: JCR Journal
    Description: reserved
    Keywords: Hydro-fractures ; geothermal systems ; Magmatism ; southern Tuscany ; 04. Solid Earth::04.01. Earth Interior::04.01.99. General or miscellaneous ; 04. Solid Earth::04.04. Geology::04.04.09. Structural geology
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 44
    Publication Date: 2017-04-04
    Description: Despite the advance in our understanding of the carbon exchange between terrestrial ecosystems and the atmosphere, semiarid ecosystems have been poorly investigated and little is known about their role in the global carbon balance. We used eddy covariance measurements to determine the exchange of CO2 between a semiarid steppe and the atmosphere over 3 years. The vegetation is a perennial grassland of Stipa tenacissima L. located in the SE of Spain. We examined diurnal, seasonal and interannual variations in the net ecosystem carbon balance (NECB) in relation to biophysical variables. Cumulative NECB was a net source of 65.7, 143.6 and 92.1 g C mˉ2 yrˉ1 for the 3 years studied, respectively. We separated the year into two distinctive periods: dry period and growing season. The ecosystem was a net source of CO2 to the atmosphere, particularly during the dry period when large CO2 positive fluxes of up to 15 μmol mˉ2 sˉ1 were observed in concomitance with large wind speeds. Over the growing season, the ecosystem was a slight sink or neutral with maximum rates of -2.3 μmol mˉ2 sˉ1. Rainfall events caused large fluxes of CO2 to the atmosphere and determined the length of the growing season. In this season, photosynthetic photon flux density controlled day-time NECB just below 1000 μmol mˉ2 sˉ1. The analyses of the diurnal and seasonal data and preliminary geological and gas-geochemical evaluations, including C isotopic analyses, suggest that the CO2 released was not only biogenic but most likely included a component of geothermal origin, presumably related to deep fluids occurring in the area. These results highlight the importance of considering geological carbon sources, as well as the need to carefully interpret the results of eddy covariance partitioning techniques when applied in geologically active areas potentially affected by CO2-rich geofluid circulation.
    Description: Published
    Description: 539–554
    Description: 4.5. Studi sul degassamento naturale e sui gas petroliferi
    Description: JCR Journal
    Description: reserved
    Keywords: alpha grass ; carbon sequestration ; ecosystem respiration ; eddy covariance ; geogas ; geothermal activity ; grasslands ; net ecosystem carbon balance ; 04. Solid Earth::04.04. Geology::04.04.12. Fluid Geochemistry
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 45
    Publication Date: 2017-04-04
    Description: We present an improved evaluation of the current strain and stress fields in Southern Apennines (Italy) obtained through a careful analysis of geodetic, seismological and borehole data. In particular, our analysis provides an updated comparison between the accrued strain recorded by geodetic data, and the strain released by seismic activity in a region hit by destructive historical earthquakes. To this end, we have used 9 years of GPS observations (2001-2010) from a dense network of permanent stations, a dataset of 73 well constrained stress indicators (borehole breakouts and focal mechanisms of moderate to large earthquakes), and published estimations of the geological strain accommodated by active faults in the region. Although geodetic data are generally consistent with seismic and geologic information, previously unknown features of the current deformation in southern Italy emerge from this analysis. The newly obtained GPS velocity field supports the well-established notion of a dominant NE-SW-oriented extension concentrated in a ~50 km wide belt along the topographic relief of the Apennines, as outlined by the distribution of seismogenic normal faults. Geodetic deformation is, however, non uniform along the belt, with two patches of higher strain-rate and shear stress accumulation in the north (Matese Mountains) and in the south (Irpinia area). Low geodetic strain-rates are found in the Bradano basin and Apulia plateau to the east. Along the Ionian Sea margin of southern Italy, in southern Apulia and eastern Basilicata and Calabria, geodetic velocities indicate NW-SE extension which is consistent with active shallow-crustal gravitational motion documented by geological studies. In the west, along the Tyrrhenian margin of the Campania region, the tectonic geodetic field is disturbed by volcanic processes. Comparison between the magnitude of the geodetic and the seismic strain-rates (computed using a long historical seismicity catalogue) allow detecting areas of high correlation, particularly along the axis of the mountain chain, indicating that most of the geodetic strain is released by earthquakes. This relation does not hold for the instrumental seismic catalogue, as a consequence of the limited time span covered by instrumental data. In other areas (e.g. Murge plateau in central Apulia), where seismicity is very low or absent, the yet appreciable geodetic deformation might be accommodated in aseismic mode. Overall, the excellent match between the stress and the strain-rate directions in much of the Apennines indicates that both earthquakes and ground deformation patterns are driven by the same crustal forces.
    Description: Published
    Description: 1270-1282
    Description: 3.2. Tettonica attiva
    Description: JCR Journal
    Description: restricted
    Keywords: Satellite geodesy ; Plate motions ; Neotectonics ; Europe ; Apennines ; 04. Solid Earth::04.03. Geodesy::04.03.01. Crustal deformations
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  • 46
    Publication Date: 2017-04-04
    Description: Several volcanoes worldwide have shown changes in their stress state as a consequence of the deformation produced by the pressurization of a magmatic body. This study investigates seismic swarms occurring on the western flank of Mt. Etna in January 1997 - January 1998. Integrating seismic observations and geodetic data, we constrained the seismogenic fault system, and on the basis of stress tensor inversion and SHMAX analyses, we infer an inflating pressure source located at 5.5 km b.s.l. beneath the west portion of summit area. Evaluation of Coulomb failure stress (CFS) related to the proposed model, showed how a large part of the seismogenic fault underwent a significant CFS increase (500 kPa). We infer the presence of a sub-vertical faulted region, potentially weak, N50°E oriented beneath the western sector of Mt. Etna. This structure could be brought closer to failure thereby generating seismic swarms as the effect of elastic stress transfer induced by movement and/or overpressure of magmatic masses within the upper crust under the volcano.
    Description: This research was funded by the INGV–DPC 2007–2009 Agreement (Project V4_Flank).
    Description: Published
    Description: 339-348
    Description: 1.4. TTC - Sorveglianza sismologica delle aree vulcaniche attive
    Description: JCR Journal
    Description: restricted
    Keywords: Etna ; modelling ; Seismicity ; GPS monitoring ; 04. Solid Earth::04.08. Volcanology::04.08.06. Volcano monitoring
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  • 47
    Publication Date: 2017-04-04
    Description: Methane soil flux measurements have been made in 38 sites at the geothermal system of Sousaki (Greece) with the closed chamber method. Fluxes range from –47.6 to 29,150 mg m-2 d-1 and the diffuse CH4 output of the system has been estimated at 19 t a-1. Contemporaneous CO2 flux measurements showed a moderate positive correlation between CO2 and CH4 fluxes. Comparison of the CO2/CH4 soil flux ratios with the CO2/CH4 ratio of the gases of the main gas manifestations provided evidence for methanotrophic activity within the soil. Laboratory CH4 consumption experiments confirmed the presence of methanotrophic microorganisms in soil samples collected at Sousaki. Consumption was generally in the range from –4.9 to –38.9 pmolCH4 h-1 g-1 but could sometimes reach extremely high values (–33,000 pmolCH4 h-1 g-1.). These results are consistent with recent studies on other geothermal systems that revealed the existence of thermoacidophilic bacteria exerting methanotrophic activity in hot, acid soils, thereby reducing methane emissions to the atmosphere.
    Description: Published
    Description: 97–107
    Description: 4.5. Studi sul degassamento naturale e sui gas petroliferi
    Description: JCR Journal
    Description: reserved
    Keywords: Sousaki ; accumulation chamber ; soil degassing ; hydrothermal systems ; methane output ; methanotrophic activity ; 01. Atmosphere::01.01. Atmosphere::01.01.07. Volcanic effects ; 04. Solid Earth::04.04. Geology::04.04.12. Fluid Geochemistry ; 04. Solid Earth::04.08. Volcanology::04.08.01. Gases
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 48
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    Blackwell Publishing Ltd
    Publication Date: 2017-04-04
    Description: We present a new crustal model for the European plate, derived from collection and critical integration of information selected from the literature. The model covers the whole European plate from North Africa to the North Pole (20N - 90N) and from the Mid-Atlantic Ridge to the Urals (40W - 70E). The chosen parameterization represents the crust in three layers (sediments, upper crust and lower crust), and describes the 3D geometry of the interfaces and seismologically-relevant parameters — isotropic P- and S-wave velocity, plus density — with a resolution of 0.5 × 0.5 degrees on a geographical latitude-longitude grid. We selected global and local models, derived from geological assumptions, active seismic experiments, surface-wave studies, noise correlation, receiver functions. Model EPcrust presents significant advantages with respect to previous models: it covers the whole European plate; it is a complete and internally-consistent model (with all the parameters provided, also for the sedimentary layer); it is reproducible; it is easy to update in the future by adding new contributions; and it is available in a convenient digital format. EPcrust could be used to account for crustal structure in seismic wave propagation modeling at continental scale or to compute linearized crustal corrections in continental-scale seismic tomography, gravity studies, dynamic topography and other applications that require a reliable crustal structure. Because of its resolution, our model is not suited for local-scale studies, such as the computation of earthquake scenarios, where more detailed knowledge of the structure is required. We plan to update the model as new data will become available, and possibly improve its resolution for selected areas in the future.
    Description: Published
    Description: 352-364
    Description: 3.3. Geodinamica e struttura dell'interno della Terra
    Description: JCR Journal
    Description: reserved
    Keywords: Europe ; crust ; crustal properties ; Moho ; 04. Solid Earth::04.01. Earth Interior::04.01.99. General or miscellaneous ; 04. Solid Earth::04.01. Earth Interior::04.01.01. Composition and state
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 49
    Publication Date: 2017-04-04
    Description: This thematic issue of Geofluids includes 11 papers representing the three main topics discussed in the 10th edition of the International Conference on Gas Geochemistry (ICGG-10): (i) gas in petroleum systems and seepage, (ii) gas in geothermal systems and volcanoes and (iii) gas, seismicity and geohazards. ICGG-10 was held in 2009 in Romania, a country extraordinarily rich in surface gas manifestations, that offers innumerable opportunities for innovative studies on gas geochemistry. We briefly describe the present knowledge on gases occurring both in petroliferous sedimentary basins and geothermal areas of Romania. The 11 contributions of this special issue, which include data from eight countries, are then summarised. Based on these papers and other works presented at the ICGG-10, we find that significant advances in analytical capabilities, data treating and interpretation have led to innovative insights into the origin, distribution and environmental impact of gases migrating to the Earth’s surface. It is increasingly clear, in particular, that gas geochemistry can be more effective for petroleum exploration, volcano-tectonic, geodynamic and environmental studies, if multiparametric studies are performed and the data are interpreted in the geological context.
    Description: Published
    Description: 457-462
    Description: 4.5. Studi sul degassamento naturale e sui gas petroliferi
    Description: JCR Journal
    Description: restricted
    Keywords: geothermal gas ; international conference on gas geochemistry ; natural gas ; romania ; seeps ; 04. Solid Earth::04.04. Geology::04.04.12. Fluid Geochemistry
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 50
    Publication Date: 2017-04-04
    Description: Gas seepage from petroleum basins is the second largest natural source of methane to the atmosphere, after wetlands. The uncertainty in global emission estimates should be reduced by extending the flux database which is fundamental for defining the emission factors and the actual area of seepage adopted for up-scaling. As a contribution to this goal, we report a new seepage data-set for the Transylvanian Basin, one of the largest natural gas producing regions of Europe, that is characterized by the widespread occurrence of natural leakages of gas at the surface, including at least 73 mud volcanoes and gas seeps. In this study, methane flux was measured using closed-chambers, from 12 seepage sites, in correspondence with focused gas vents (mud volcano craters, bubbling pools, and flammable gas leaks), in the soil surrounding the vents, and at 15 sites located far from macroseep zones but close to gas fields. Fluxes from individual vents (macro-seeps) were found to reach orders of kg CH4 m)2 day)1 (up to 12 kg m)2 day)1) and diffuse fluxes from soils (miniseepage) were found to be up to a few g CH4 m)2 day)1. Far from seep zones, positive CH4 fluxes (microseepage) may occur locally, typically on the order of tens to hundreds of mg m)2 day)1. The values, as well as the occurrence of seepage even far from vent zones and in mud volcanoes that are apparently extinct, are coherent with results obtained in other countries. Gas fluxes from macro-seeps and soils may change seasonally, but the interannual variation of the average emission factor was found to be minimal. The total CH4 output for Transylvania macro-seeps is estimated conservatively to be around 680 t year)1; the total geo-CH4 seepage emission from the Transylvania petroleum system could be approximately 40 · 103 t year)1, and at least 100 · 103 t year)1 for all Romanian petroleum systems, that is roughly 10% of the total anthropogenic CH4 emission in the country.
    Description: Published
    Description: 463-475
    Description: 4.5. Studi sul degassamento naturale e sui gas petroliferi
    Description: JCR Journal
    Description: restricted
    Keywords: gas reservoirs ; methane emissions ; mud volcanoes ; seeps ; Transylvanian Basin ; 04. Solid Earth::04.05. Geomagnetism::04.05.99. General or miscellaneous
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 51
    Publication Date: 2017-04-04
    Description: Natural gas seeps in the Alpine region are poorly investigated. However, they can provide useful information regarding the hydrocarbon potential of sedimentary Alpine units and related geofluid migration, typically controlled by pressurized gas accumulations and tectonics. A gas seep located near Giswil, in the Swiss Northern Alps, was investigated, for the first time, for molecular and isotopic gas composition, methane flux to the atmosphere, and gas flux variations over time. The analyses indicated that the gas was thermogenic (CH4 〉 96%; d13C1: )35.5& to )40.2&) and showed evidence of subsurface petroleum biodegradation (13C-enriched CO2, and very low C3+ concentrations). The source rock in the region is marine Type II kerogen, which is likely the same as that providing thermogenic gas in the nearby Wilen shallow well, close to Lake Sarnen. However, the lack of d13CCO2 and d13C3 data for that well prevented us from determining whether the Wilen and Giswil seeps are fed by the same reservoir and seepage system. Gas fluxes from the Giswil seep, measured using a closedchamber system, were significant and mainly from two major vents. However, a substantial gas exhalation from the soil occurs diffusely in an area of at least 115 m2, leading to a total CH4 output conservatively estimated to be at least 16 tonnes per year. Gas flux variations, monitored over a 1-month period by a special tent and flowmeter, showed not only daily meteorological oscillations, but also an intrinsic ‘pulsation’ with periods of enhanced flux that lasted 2–6 h each, occurring every few days. The pulses are likely related to episodes of gas pressure build-up and discharge along the seepage system. However, to date, no relationship to seismicity in the active Sarnen strike-slip fault system has been established.
    Description: Published
    Description: 476-485
    Description: 4.5. Studi sul degassamento naturale e sui gas petroliferi
    Description: JCR Journal
    Description: restricted
    Keywords: Alps ; isotopes ; methane ; organic geochemistry ; seeps ; Switzerland ; 04. Solid Earth::04.04. Geology::04.04.12. Fluid Geochemistry
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 52
    Publication Date: 2016-12-09
    Description: A fully nonlinear solution for bi-chromatic progressive waves in water of finite depth in the framework of the homotopy analysis method (HAM) is derived. The bi-chromatic wave field is assumed to be obtained by the nonlinear interaction of two monochromatic wave trains that propagate independently in the same direction before encountering. The equations for the mass, momentum, and energy fluxes based on the accurate high-order homotopy series solutions are obtained using a discrete integration and a Fourier series-based fitting. The conservation equations for the mean rates of the mass, momentum, and energy fluxes before and after the interaction of the two nonlinear monochromatic wave trains are proposed to establish the relationship between the steady-state bi-chromatic wave field and the two nonlinear monochromatic wave trains. The parametric analysis on ε 1 and ε 2 , representing the nonlinearity of the bi-chromatic wave field, is performed to obtain a sufficiently small standard deviation S d , which is applied to describe the deviation from the conservation state ( S d = 0) in terms of the mean rates of the mass, momentum, and energy fluxes before and after the interaction. It is demonstrated that very small standard deviation from the conservation state can be achieved. After the interaction, the amplitude of the primary wave with a lower circular frequency is found to decrease; while the one with a higher circular frequency is found to increase. Moreover, the highest horizontal velocity of the water particles underneath the largest wave crest, which is obtained by the nonlinear interaction between the two monochromatic waves, is found to be significantly higher than the linear superposition value of the corresponding velocity of the two monochromatic waves. The present study is helpful to enrich and deepen the understanding with insight to steady-state wave-wave interactions.
    Print ISSN: 1070-6631
    Electronic ISSN: 1089-7666
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  • 53
    Publication Date: 2016-12-09
    Description: We have investigated the development of a handheld 4 × 1 piezoelectric finger (PEF) array breast tumor detector system towards in vivo patient testing, particularly, on how the duration of the DC applied voltage, the depression depth of the handheld unit, and breast density affect the PEF detection sensitivity on 40 patients. The tests were blinded and carried out in four phases: with DC voltage durations 5, 3, 2, to 0.8 s corresponding to scanning a quadrant, a half, a whole breast, and both breasts within 30 min, respectively. The results showed that PEF detection sensitivity was unaffected by shortening the applied voltage duration from 5 to 0.8 s nor was it affected by increasing the depression depth from 2 to 6 mm. Over the 40 patients, PEF detected 46 of the 48 lesions (46/48)—with the smallest lesion detected being 5 mm in size. Of 28 patients (some have more than one lesion) with mammography records, PEF detected 31/33 of all lesions (94%) and 14/15 of malignant lesions (93%), while mammography detected 30/33 of all lesions (91%) and 12/15 of malignant lesions (80%), indicating that PEF could detect malignant lesions not detectable by mammography without significantly increasing false positives. PEF’s detection sensitivity is also shown to be independent of breast density, suggesting that PEF could be a potential tool for detecting breast cancer in young women and women with dense breasts.
    Print ISSN: 0034-6748
    Electronic ISSN: 1089-7623
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  • 54
    Publication Date: 2016-12-09
    Description: A combination of transient and static techniques has been applied to bulk-heterojunction solar-cells to gain insight into the influence of charge-carrier dynamics and of energy level shifts in the vicinity of the cathode on the open-circuit voltage. Devices with a different thermal-annealing history but with similar active layer-morphology were compared. P3HT:PC 60 BM bulk heterojunction solar-cells with a standard ITO/PEDOT:PSS/active-layer/Al were investigated. We show that the open-circuit voltage increase that occurs when a sample is annealed before or after cathode deposition is due roughly one third to a shift between the energetics of the photoactive blend adjacent to the cathode and that in the bulk of the photoactive layer and roughly two thirds to a significant increase in the charge-carrier lifetime for this type of solar-cell.
    Print ISSN: 0021-8979
    Electronic ISSN: 1089-7550
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  • 55
    Publication Date: 2016-12-09
    Description: Structural properties of brushes which are composed of weak acidic and basic polyelectrolytes are studied in the framework of a particle-based approach that implicitly accounts for the solvent quality. Using a semi-grandcanonical partition function in the framework of the Single-Chain-in-Mean-Field (SCMF) algorithm, the weak polyelectrolyte is conceived as a supramolecular mixture of polymers in different dissociation states, which are explicitly treated in the partition function and sampled by the SCMF procedure. One obtains a local expression for the equilibrium acid-base reaction responsible for the regulation of the charged groups that is also incorporated to the SCMF sampling. Coupled to a simultaneous treatment of the electrostatics, the approach is shown to capture the main features of weak polyelectrolyte brushes as a function of the bulk pH in the solution, the salt concentration, and the grafting density. Results are compared to experimental and theoretical works from the literature using coarse-grained representations of poly(acrylic acid) (PAA) and poly(2-vinyl pyridine) (P2VP) polymer-based brushes. As the Born self-energy of ions can be straightforwardly included in the numerical approach, we also study its effect on the local charge regulation mechanism of the brush. We find that its effect becomes significant when the brush is dense and exposed to high salt concentrations. The numerical methodology is then applied (1) to the study of the kinetics of collapse/swelling of a P2VP brush and (2) to the ability of an applied voltage to induce collapse/swelling of a PAA brush in a pH range close to the p K a value of the polymer.
    Print ISSN: 0021-9606
    Electronic ISSN: 1089-7690
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  • 56
    Publication Date: 2016-12-09
    Description: The dynamics of water within ionic polymer networks formed by sulfonated poly(phenylene) (SPP), as revealed by quasi-elastic neutron scattering (QENS), is presented. These polymers are distinguished from other ionic macromolecules by their rigidity and therefore in their network structure. QENS measurements as a function of temperature as the fraction of ionic groups and humidity were varied have shown that the polymer molecules are immobile while absorbed water molecules remain dynamic. The water molecules occupy multiple sites, either bound or loosely constrained, and bounce between the two. With increasing temperature and hydration levels, the system becomes more dynamic. Water molecules remain mobile even at subzero temperatures, illustrating the applicability of the SPP membrane for selective transport over a broad temperature range.
    Print ISSN: 0021-9606
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  • 57
    Publication Date: 2016-12-09
    Description: SmCoO 3 is a perovskite material that has gained attention as a potential substitute for La 1−x Sr x MnO 3−d as a solid oxide fuel cell cathode. However, a number of properties have remained unknown due to the complexity of the material. For example, we know from experimental evidence that this perovskite exists in two different crystal structures, cubic and orthorhombic, and that the cobalt ion changes its spin state at high temperatures, leading to a semiconductor-to-metal transition. However, little is known about the precise magnetic structure that causes the metallic behavior or the spin state of the Co centers at high temperature. Here, we therefore present a systematic DFT+U study of the magnetic properties of SmCoO 3 in order to determine what magnetic ordering is the one exhibited by the metallic phase at different temperatures. Similarly, mechanical properties are difficult to measure experimentally, which is why there is a lack of data for the two different phases of SmCoO 3 . Taking advantage of our DFT calculations, we have determined the mechanical properties from our calculated elastic constants, finding that both polymorphs exhibit similar ductility and brittleness, but that the cubic structure is harder than the orthorhombic phase.
    Print ISSN: 0021-9606
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  • 58
    Publication Date: 2016-12-09
    Description: Molecular dynamics simulations are used to investigate the phase behavior of disks decorated with small ligands in two-dimensional films. We consider disks with four ligands, which are fixed at vertices of a square or slide over the circle delimiting the core. For selected model systems, phase diagrams are evaluated and discussed. We show that ligand mobility can change the topology of phase diagrams. In particular, it can affect fluid-solid transitions, changing the solid phase symmetry. Moreover, the mobility of ligands can either hamper or facilitate crystallization.
    Print ISSN: 0021-9606
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  • 59
    Publication Date: 2016-12-09
    Description: We study the electrical conductance G and the thermopower S of single-molecule junctions and reveal signatures of different transport mechanisms: off-resonant tunneling, on-resonant coherent (ballistic) motion, and multi-step hopping. These mechanisms are identified by studying the behavior of G and S while varying molecular length and temperature. Based on a simple one-dimensional model for molecular junctions, we derive approximate expressions for the thermopower in these different regimes. Analytical results are compared to numerical simulations, performed using a variant of Büttiker’s probe technique, the so-called voltage-temperature probe, which allows us to phenomenologically introduce environmentally induced elastic and inelastic electron scattering effects, while applying both voltage and temperature biases across the junction. We further simulate the thermopower of GC-rich DNA sequences with mediating A:T blocks and manifest the tunneling-to-hopping crossover in both the electrical conductance and the thermopower, in accord with measurements by Li et al. [Nat. Commun. 7 , 11294 (2016)].
    Print ISSN: 0021-9606
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  • 60
    Publication Date: 2016-12-09
    Description: Path-integral molecular dynamics (PIMD) simulations have been carried out to study the influence of quantum dynamics of carbon atoms on the properties of a single graphene layer. Finite-temperature properties were analyzed in the range from 12 to 2000 K, by using the LCBOPII effective potential. To assess the magnitude of quantum effects in structural and thermodynamic properties of graphene, classical molecular dynamics simulations have been also performed. Particular emphasis has been laid on the atomic vibrations along the out-of-plane direction. Even though quantum effects are present in these vibrational modes, we show that at any finite temperature classical-like motion dominates over quantum delocalization, provided that the system size is large enough. Vibrational modes display an appreciable anharmonicity, as derived from a comparison between kinetic and potential energies of the carbon atoms. Nuclear quantum effects are found to be appreciable in the interatomic distance and layer area at finite temperatures. The thermal expansion coefficient resulting from PIMD simulations vanishes in the zero-temperature limit, in agreement with the third law of thermodynamics.
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  • 61
    Publication Date: 2016-12-09
    Description: We report our spectroscopic studies of the d 3 Π state of ultra-cold 7 Li 85 Rb using resonantly enhanced multi-photon ionization and depletion spectroscopy with bound-to-bound transitions originating from the metastable a 3 Σ + state. We evaluate the potential of this state for use as the intermediate state in a stimulated-Raman-adiabatic-passage transfer scheme from triplet Feshbach LiRb molecules to the X 1 Σ + ground state and find that the lowest several vibrational levels possess the requisite overlap with initial and final states, as well as convenient energies. Using depletion measurements, we measured the well depth and spin-orbit splitting. We suggest possible pathways for short-range photoassociation using deeply bound vibrational levels of this electronic state.
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  • 62
    Publication Date: 2016-12-09
    Description: Various precipitation patterns can be obtained in flow conditions when injecting a solution of sodium carbonate in a confined geometry initially filled with a solution of either barium or calcium chloride. We compare here the barium and calcium carbonate precipitate structures as a function of initial concentrations and injection flow rate. We show that, in some part of the parameter space, the patterns are similar and feature comparable properties indicating that barium and calcium behave similarly in the related flow-controlled precipitation conditions. For other values of parameters though, the precipitate structures are different indicating that the cohesive and microscopic properties of barium versus calcium carbonate are then important in shaping the pattern in flow conditions.
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  • 63
    Publication Date: 2016-12-09
    Description: Partial ionization cross sections are the absolute yields of specific ions from an electron-molecule collision. They are necessary for modeling plasmas and determining the sensitivity of mass spectrometers, among other applications. They can be predicted semi-empirically when experimental data are available for channel-specific oscillator strengths. However, such data are seldom available because they are obtained using specialized apparatus. Here, an alternative semi-empirical method is proposed that exploits experimental data obtained using ordinary mass spectrometers, as corrected for mass discrimination. Data are presented for an incident electron energy of 70 eV.
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  • 64
    Publication Date: 2016-12-09
    Description: The potential energy landscape (PEL) formalism is a valuable approach within statistical mechanics to describe supercooled liquids and glasses. Here we use the PEL formalism and computer simulations to study the pressure-induced transformations between low-density amorphous ice (LDA) and high-density amorphous ice (HDA) at different temperatures. We employ the ST2 water model for which the LDA-HDA transformations are remarkably sharp, similar to what is observed in experiments, and reminiscent of a first-order phase transition. Our results are consistent with the view that LDA and HDA configurations are associated with two distinct regions (megabasins) of the PEL that are separated by a potential energy barrier. At higher temperature, we find that low-density liquid (LDL) configurations are located in the same megabasin as LDA, and that high-density liquid (HDL) configurations are located in the same megabasin as HDA. We show that the pressure-induced LDL-HDL and LDA-HDA transformations occur along paths that interconnect these two megabasins, but that the path followed by the liquid is different from the path followed by the amorphous solid. At higher pressure, we also study the liquid-to-ice-VII first-order phase transition, and find that the behavior of the PEL properties across this transition is qualitatively similar to the changes found during the LDA-HDA transformation. This similarity supports the interpretation that the LDA-HDA transformation is a first-order phase transition between out-of-equilibrium states. Finally, we compare the PEL properties explored during the LDA-HDA transformations in ST2 water with those reported previously for SPC/E water, for which the LDA-HDA transformations are rather smooth. This comparison illuminates the previous work showing that, at accessible computer times scales, a liquid-liquid phase transition occurs in the case of ST2 water, but not for SPC/E water.
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  • 65
    Publication Date: 2016-12-09
    Description: In the present work, we theoretically study the length dependence of thermopower of a single-molecule junction with a chain-like molecular bridge of an arbitrary length using a tight-binding model. We analyze conditions bringing a nonlinear growth of the thermopower accompanying the extension of the bridge length. Also, we show that the thermopower may decrease with increasing molecular length provided that the molecular bridge is sufficiently long.
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  • 66
    Publication Date: 2016-12-09
    Description: The paper describes a time-resolved photoemission (TRPES) apparatus equipped with a Yb-doped fiber laser system delivering 1.2-eV pump and 5.9-eV probe pulses at the repetition rate of 95 MHz. Time and energy resolutions are 11.3 meV and ∼310 fs, respectively, the latter is estimated by performing TRPES on a highly oriented pyrolytic graphite (HOPG). The high repetition rate is suited for achieving high signal-to-noise ratio in TRPES spectra, thereby facilitating investigations of ultrafast electronic dynamics in the low pump fluence ( p ) region. TRPES of polycrystalline bismuth (Bi) at p as low as 30 nJ/mm 2 is demonstrated. The laser source is compact and is docked to an existing TRPES apparatus based on a 250-kHz Ti:sapphire laser system. The 95-MHz system is less prone to space-charge broadening effects compared to the 250-kHz system, which we explicitly show in a systematic probe-power dependency of the Fermi cutoff of polycrystalline gold. We also describe that the TRPES response of an oriented Bi(111)/HOPG sample is useful for fine-tuning the spatial overlap of the pump and probe beams even when p is as low as 30 nJ/mm 2 .
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  • 67
    Publication Date: 2016-12-09
    Description: Synchrotron X-ray Micro Computed Tomography (Micro-CT) is an imaging technique which is increasingly used for non-invasive in vivo preclinical imaging. However, it often requires a large number of projections from many different angles to reconstruct high-quality images leading to significantly high radiation doses and long scan times. To utilize this imaging technique further for in vivo imaging, we need to design reconstruction algorithms that reduce the radiation dose and scan time without reduction of reconstructed image quality. This research is focused on using a combination of gradient-based Douglas-Rachford splitting and discrete wavelet packet shrinkage image denoising methods to design an algorithm for reconstruction of large-scale reduced-view synchrotron Micro-CT images with acceptable quality metrics. These quality metrics are computed by comparing the reconstructed images with a high-dose reference image reconstructed from 1800 equally spaced projections spanning 180°. Visual and quantitative-based performance assessment of a synthetic head phantom and a femoral cortical bone sample imaged in the biomedical imaging and therapy bending magnet beamline at the Canadian Light Source demonstrates that the proposed algorithm is superior to the existing reconstruction algorithms. Using the proposed reconstruction algorithm to reduce the number of projections in synchrotron Micro-CT is an effective way to reduce the overall radiation dose and scan time which improves in vivo imaging protocols.
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  • 68
    Publication Date: 2016-12-09
    Description: The rate of electron transfer between a molecular species and a metal, each at a different local temperature, is examined theoretically through the implementation of a bithermal (characterized by two temperatures) Marcus formalism. Expressions for the rate constant and the electronic contribution to a heat transfer mechanism which is induced by the temperature gradient between a molecule and metal are constructed. The system of coupled dynamical equations describing the electronic and thermal currents are derived and examined over diverse ranges of reaction geometries and temperature gradients. It is shown that electron transfer across the molecule-metal interface is associated with heat transfer and that the electron exchange between metal and molecule makes a distinct contribution to the interfacial heat conduction even when the net electronic current vanishes.
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  • 69
    Publication Date: 2016-12-09
    Description: In this work, the mixed bromide iodide lead perovskites CH 3 NH 3 Pb(I 1– x Br x ) 3 (0 ≤  x  ≤ 0.67) thin films were prepared by co-evaporation of CH 3 NH 3 I, PbI 2 , and PbBr 2 . The electronic properties of CH 3 NH 3 Pb(I 1– x Br x ) 3 thin films were investigated by X-ray and ultraviolet photoelectron spectroscopy in-situ . The results of core level binding energy show that there is no chemical shift of the C1s, N1s, Br3d5, and I3d5 when the Br composition changes, while there is an approximately linear chemical shift of Pb4f7 to higher binding energy as the Br composition increases. The density functional theory calculation reveals that there is more charge transfer from Pb to Br than I, which results in the chemical shift of Pb4f states. On the other hand, the valence band maximum increases as the Br composition increases, while the work function shows no obvious change, because the conduction band is dominated by Pb 6 p orbitals while the valence band is dominated by halide p orbitals. Our work demonstrates the adjustability of the energy level alignment of MAPb(I 1– x Br x ) 3 by the Br composition.
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  • 70
    Publication Date: 2016-12-09
    Description: We found that a network-organized metapopulation of cooperators, defectors, and destructive agents playing the public goods game with mutations can collectively reach global synchronization or chimera states. Global synchronization is accompanied by a collective periodic burst of cooperation, whereas chimera states reflect the tendency of the networked metapopulation to be fragmented in clusters of synchronous and incoherent bursts of cooperation. Numerical simulations have shown that the system's dynamics switches between these two steady states through a first order transition. Depending on the parameters determining the dynamical and topological properties, chimera states with different numbers of coherent and incoherent clusters are observed. Our results present the first systematic study of chimera states and their characterization in the context of evolutionary game theory. This provides a valuable insight into the details of their occurrence, extending the relevance of such states to natural and social systems.
    Print ISSN: 1054-1500
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  • 71
    Publication Date: 2016-12-09
    Description: In this paper, we detail the diagnostic technique used to infer the spatially resolved electron temperatures and densities in experiments dedicated to investigate the generation of magnetically collimated plasma jets. It is shown that the relative intensities of the resonance transitions in emitting He-like ions can be used to measure the temperature in such recombining plasmas. The intensities of these transitions are sensitive to the plasma density in the range of 10 16 –10 20  cm −3 and to plasma temperature ranges from 10 to 100 eV for ions with a nuclear charge Z n  ∼ 10. We show how detailed calculations of the emissivity of F VIII ions allow to determine the parameters of the plasma jets that were created using ELFIE ns laser facility (Ecole Polytechnique, France). The diagnostic and analysis technique detailed here can be applied in a broader context than the one of this study, i.e., to diagnose any recombining plasma containing He-like fluorine ions.
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  • 72
    facet.materialart.
    Unknown
    American Institute of Physics (AIP)
    Publication Date: 2016-12-09
    Description: We discuss the theory of the formation of a quasi-transverse collisionless shock wave in a multi-component plasma. We show that in a plasma with a significant admixture of cold heavy ions, a specific MHD mode can be excited. This mode plays the same role for the collisionless shock formation as a quasi-transverse fast magnetosonic wave in a plasma with one sort of ions. As a result of this mode excitation, the solar wind velocity threshold for the formation of a collisionless shock becomes significantly less than in the case of a plasma with only light ions. We derive a nonlinear differential equation which describes a shock wave when perturbations become strong enough. Based on our theoretical results, we argue that upstream of the magnetic pile-up region of Mars or Venus, an additional shock wave may be formed.
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  • 73
    Publication Date: 2016-12-09
    Description: The weakly coherent mode (WCM) in I-mode has been studied by a six-field two-fluid model based on the Braginskii equations under the BOUT++ framework for the first time. The calculations indicate that a tokamak pedestal exhibiting a WCM is linearly unstable to drift Alfven wave (DAW) instabilities and the resistive ballooning mode. The nonlinear simulation shows promising agreement with the experimental measurements of the WCM. The shape of the density spectral and location of the spectral peak of the dominant toroidal number mode n  = 20 agrees with the experimental data from reflectometry. The simulated mode propagates in electron diamagnetic direction is consistent with the results from the magnetic probes in the laboratory frame, a large ratio of particle to heat diffusivity is consistent with the distinctive experimental feature of I-mode, and the value of the simulated χ e at the edge is in the range of experimental errors of χ eff from the experiment. The prediction of the WCM shows that free energy is mainly provided by the electron pressure gradient, which gives guidance for pursuing future I-mode studies.
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  • 74
    Publication Date: 2016-12-09
    Description: Co 2 TiSi films were grown by molecular beam epitaxy on GaAs(001) and analyzed using reflection high-energy electron diffraction, and electron microscopy. In addition, X-ray diffraction was combined with lattice parameter calculations by density functional theory comparing the L 2 1 and B 2 structures and considering the influence of non-stoichiometry. Columnar growth is found and attributed to inhomogeneous epitaxial strain from non-random alloying. In films with thicknesses up to 13 nm, these columns may be the origin of perpendicular magnetization with the easy axis perpendicular to the sample surface. We found L 2 1 and B 2 ordered regions, however the [Co]/[Ti]-ratio is changing in dependence of the position in the film. The resulting columnar structure is leading to anisotropic B 2-ordering with the best order parallel to the axes of the columns.
    Print ISSN: 0021-8979
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  • 75
    Publication Date: 2016-12-09
    Description: The influence of different background gases and substrate heating on the plasma plume dynamics from silver ablation is investigated by species selected time and space resolved imaging. The results provide a time-resolved understanding on how those process parameters affect the expansion: from a free expansion in vacuum with velocities exceeding 20 000 m/s to a very slow expansion in Ar at 1 × 10 −1 mbar with arrival velocities of 280 m/s. In addition, we observe a rebound of the ablated material on the substrate holder leading to a re-coating of the ablated target. At 1 × 10 −1 mbar, it seems that the expansion of the plasma plume displaces a considerable portion of the background gas and traps it against the frontal area of the substrate holder. This leads to a transient high local pressure just above the substrate. In the case of Ar, the rebound is enhanced due to inelastic scattering, whereas for an O 2 background, an area of high reactivity/emission in addition to the rebound is created. Imaging of selected species shows that the light emission in this area is mainly due to excited Ag and metal oxygen species. There is a clear influence of substrate heating on the plasma expansion due to the background gas density gradients, reducing the stopping ability of the background gas and already detectable 2 cm away from the substrate. Both rebound and excitation effects are reduced in intensity due to the substrate heating.
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  • 76
    Publication Date: 2016-12-09
    Description: Conductive nitrides, such as TiN, are key engineering materials for electronics, photonics, and plasmonics; one of the essential issues for such applications is the ability of tuning the conduction electron density, the resistivity, and the electron scattering. While enhancing the conduction electron density and blueshifting the intraband absorption towards the UV were easily achieved previously, reducing the conduction electron density and redshifting the intraband absorption into the infrared are still an open issue. The latter is achieved in this work by alloying TiN by rare earth (RE = Sc, Y, La) or alkaline earth (AE = Mg, Ca) atoms in Ti substitutional positions. The produced Ti x RE 1−x N and Ti x AE 1−x N thin film samples were grown by a hybrid arc evaporation/sputtering process, and most of them are stable in the B1 cubic structure. Their optical properties were studied in an extensive spectral range by spectroscopic ellipsometry. The ellipsometric spectra were analyzed and quantified by the Drude-Lorentz model, which provided the conduction electron density, the electron mean free path, and the resistivity. The observed interband transitions are firmly assigned, and the optical and electrical properties of Ti x RE 1−x N and Ti x AE 1−x N are quantitatively correlated with their composition and crystal structure.
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  • 77
    Publication Date: 2016-12-09
    Description: A Bragg superlattice is created in the process of the diamond growth from a gaseous phase via the nanoscale boron modulation doping method. To maximize the Bragg superlattice reflection coefficient at the violet edge of the visible range, the thicknesses of either of two layers in its period were made close to the quarter-wavelength of radiation in this spectral domain. The vacuum wavelength dependence of the transition coefficient of electromagnetic radiation in the optical and near infrared range through this superlattice is measured. The most pronounced Bragg features are lying at the violet edge of the optical range, where the contrast of the diamond dielectric permittivity due to modulation doping is much smaller than in the red and infrared domain. Its accordance with simulation results based on secondary ion mass spectroscopy data on the thicknesses and boron atom concentrations for doped layers is demonstrated.
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  • 78
    Publication Date: 2016-12-09
    Description: The stress at which the first discrete plastic event occurs is investigated using extreme value statistics. It is found that the average of this critical stress is inversely related to the deforming volume, via an exponentially truncated power-law. This is demonstrated for the first pop–in event observed in experimental nano-indentation data as a function of the indenter volume, and for the first discrete plastic event seen in a dislocation dynamics simulation. When the underlying master distribution of critical stresses is assumed to be a power-law, it becomes possible to extract the density of discrete plastic events available to the crystal, and to understand the exponential truncation as a break-down of the asymptotic Weibull limit.
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  • 79
    Publication Date: 2016-12-09
    Description: The behavior of carbon nanotube composites subjected to laser pulse heating with a 1070 nm variable pulse duration laser has been studied. Previous work has shown that carbon nanotube composites form a protective network on the surface of a composite, which reduces heat input to the underlying polymer and slows mass loss. In this work, we have studied the interaction between the incident laser and the plume formed above the composite. We have correlated these interactions with features observed in the time-resolved mass loss data and confirmed them with observations using high-speed video of the laser irradiations. Beam interactions were studied as a function of laser irradiance and nanotube content. It is shown that beam-plume interactions occur for the carbon nanotube composites and that the interactions occur at shorter pulse durations for increased nanotube content and laser irradiance. When we eliminate beam-plume interaction through alteration of the sample orientation relative to the incident beam, we are able to elucidate the individual contributions of the carbon nanotube surface network and the plume to the observed decrease in mass loss after laser irradiation. We examine the plume content using microscopy and Raman spectroscopy and show that greater beam absorption occurs when there is a higher graphitic content in the plume.
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  • 80
    Publication Date: 2016-12-09
    Description: Ideal, completely coherent quantum transport calculations had predicted that superlattice MOSFETs (SL-MOSFET) may offer steep subthreshold swing performance below 60 mV/dec to around 39 mV/dec. However, the high carrier density in the superlattice source suggests that scattering may significantly degrade the ideal device performance. Such effects of electron scattering and decoherence in the contacts of SL-MOSFETs are examined through a multi-scale quantum transport model developed in NEMO5. This model couples the NEGF-based quantum ballistic transport in the channel to a quantum mechanical density of states dominated reservoir, which is thermalized through strong scattering with local quasi-Fermi levels determined by drift-diffusion transport. The simulations show that scattering increases the electron transmission in the nominally forbidden minigap, therefore, degrading the subthreshold swing ( S.S. ) and the ON/OFF DC current ratio. This degradation varies with both the scattering rate and the length of the scattering dominated regions. Different SL-MOSFET designs are explored to mitigate the effects of such deleterious scattering. Specifically, shortening the spacer region between the superlattice and the channel from 3.5 nm to 0 nm improves the simulated S.S. from 51 mV/dec. to 40 mV/dec.
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  • 81
    Publication Date: 2016-12-09
    Description: The mechanism of Cherenkov excitation of terahertz (THz) surface plasma wave (SPW), by a relativistic electron beam propagating over an ultrathin metal film deposited on glass, is investigated. The SPW field falls off exponentially in vacuum as well as glass, while the surface plasmon resonant frequency is lowered by the reduction of film thickness. The SPW field causes density bunching of the beam leading to current modulation and generation of THz radiation via the Cherenkov interaction. The frequency of the THz decreases with the energy of the beam, whereas the growth rate increases.
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  • 82
    Publication Date: 2016-12-09
    Description: GaN nanowires (NWs) grown by molecular beam epitaxy are usually assumed free of strain in spite of different individual luminescence signatures. To ascertain this usual assumption, the c / a of a GaN NW assembly has been characterized using both X-ray diffraction and Raman spectroscopy, with scaling the measurement down to the single NW. Free-standing single NWs have been observed free of strain—defined as [ c / a − ( c / a ) o ] / ( c / a ) o —within the experimental accuracy amounting to 1.25 × 10 −4 . However, in the general case, a significant portion of the NWs is coalesced, generating an average tensile strain that can be partly released by detaching the NWs from their substrates. It is concluded that at the scale of the single NW, the free surface and the residual doping do not generate a significant strain and only coalescence does.
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  • 83
    Publication Date: 2016-12-09
    Description: N-type microcrystalline silicon carbide (μc-SiC:H(n)) deposited by hot wire chemical vapor deposition provides advantageous opto-electronic properties for window layer material in silicon-based thin-film solar cells and silicon heterojunction solar cells. So far, it is known that the dark conductivity (σ d ) increases with the increase in the crystallinity of μc-SiC:H(n)films. However, due to the fact that no active doping source is used, the mechanism of electrical transport in these films is still under debate. It is suggested that unintentional doping by atmospheric oxygen (O) or nitrogen (N) contamination plays an important role in the electrical transport. To investigate the impact of O and N, we incorporated O and N in μc-SiC:H(n) films and compared the influence on the microstructural, electronic, and optical properties. We discovered that, in addition to increasing the crystallinity, it is also possible to increase the σ d by several orders of magnitude by increasing the O-concentration or the N-concentration in the films. Combining a high concentration of O and N, along with a high crystallinity in the film, we optimized the σ d to a maximum of 5 S/cm.
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  • 84
    Publication Date: 2016-12-09
    Description: We report a strong negative capacitance effect in back to back combination of a metal-insulator-semiconductor (MIS) structure and a metal-semiconductor junction, which is fabricated on an n type Silicon-on-Insulator substrate. The MIS capacitor comprises a SiO 2 -HfO 2 insulator stack with embedded Pt nanoparticles. The capacitor undergoes a voltage stress process and thereby turns into a varactor and a photodetector. The negative capacitance is observed only under illumination in structures that employ a Schottky back contact. A symmetric double or an asymmetric single negative capacitance peak is observed depending on the nature of illumination. The phenomenon is attributed to the modulation of the semiconductor conductance due to photo generated carriers and their incorporation in trapping/de-trapping processes on interfacial and post filamentation induced defects in the insulator stack. The frequency range of the observed effect is limited to 100 kHz. Large ratios of light to dark and maximum to minimum of negative capacitances as well as of the obtained sensitivity to the applied voltage are, respectively, 105, more than 100, and 10-15. These were measured at 10 kHz under illumination at 365 nm with a power of 2.5 × 10 −6 W.
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  • 85
    Publication Date: 2016-12-09
    Description: The phase diagrams of the Ti-Zn-N, Zr-Zn-N, and Hf-Zn-N systems are determined using large-scale high-throughput density functional calculations. Thermodynamically stable ordered phases of TiZnN 2 , ZrZnN 2 , and HfZnN 2 have been found to be promising candidates in piezoelectric devices/applications for energy harvesting. The identified stable phase of TiZnN 2 is an ordered wurtzite superstructure, and the stable phases of ZrZnN 2 and HfZnN 2 have a layered structure with alternating tetrahedral ZnN and octahedral (Zr, Hf)N layers. All of the TMZnN 2 (TM = Ti, Zn, Hf) structures exhibit electronic bandgaps and large piezoelectric constants, d 33 TiZnN 2 = 14.21 ,   d 24 ZrZnN 2 = − 26.15 , and d 24 HfZnN 2 = − 21.99   pC / N . The strong piezoelectric responses and their thermodynamical stability make materials with these phases promising candidates for piezoelectric applications.
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  • 86
    Publication Date: 2016-12-09
    Description: As dimensions of nanoelectronic devices become smaller, reaching a few nanometers in modern processors, CPU hot spots become increasingly more difficult to manage. Applying mechanical strain in nanostructures provides an additional tuning mechanism for both electronic band structures and phonon dispersions that is independent of other methods such as alloying and dimensional confinement. By breaking crystal symmetry, strain increases anisotropy. We present thermal conductivity calculations, performed in thin Si and Ge strained films, using first principles calculations of vibrational frequencies under biaxial strain, along with a phonon Boltzmann transport equation within the relaxation time approximation. We find that, while in-plane transport is not strongly dependent on strain, the cross-plane component of the thermal conductivity tensor shows a clear strain dependence, with up to 20% increase (decrease) at 4% compressive (tensile) strain in both Si and Ge. We also uncover that strain emphasizes the anisotropy between in-plane and cross-plane thermal conductivity across several orders of magnitude in film thickness.
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  • 87
    Publication Date: 2016-12-09
    Description: The effects of substrate treatment, growth temperature, and composition on the surface morphology of Ni-Cr thin films grown on MgO(001) are studied by scanning tunneling microscopy and atomic force microscopy. We demonstrate that a combination of acid-etched substrates and high temperature deposition (400 °C) will result in smooth films with well-defined terraces (up to 30 nm wide) that are suitable for the study of progression of chemical reactions on the surface. Two different treatments are used to prepare the MgO substrates for deposition and they introduce characteristic differences in film surface morphology. Thin films that are grown on the phosphoric acid-treated substrates present reduced nucleation density during the initial stages of film growth which results in long and wide terraces. Due to the ≈16% lattice mismatch in the Ni(001)/MgO(001) system, film growth at 400 °C yields discontinuous films and a two-step growth process is necessary to obtain a continuous layer. Ni films are deposited at 100 °C and subjected to a post-growth annealing at 300 °C for 2 h to obtain a smoother surface. The addition of just 5 wt. % Cr drastically changes the film growth processes and yields continuous films at 400 °C without de-wetting in contrast to pure Ni films. With increasing Cr content, the films become progressively smoother with wider terraces. Ni5Cr alloy thin films have an rms surface roughness of 3.63 ± 0.75 nm, while Ni33Cr thin film is smoother with an rms roughness of only 0.29 ± 0.13 nm. The changes in film growth initiated by alloying with Cr are due to changes in the interfacial chemistry which favorably alters the initial adsorption of the metal atoms on MgO surface and suggests a reduction of the Ehrlich-Schwoebel barrier. The growth of smooth Ni-Cr thin films with a well-defined surface structure opens up a new pathway for a wide range of surface science studies related to alloy performance.
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  • 88
    Publication Date: 2016-12-09
    Description: Utilizing a graphite-disk probe attached with a thin aluminum disk, we have developed a friction-free viscosity measurement system. The probe is levitated above a NdFeB magnet because of diamagnetic effect and rotated by an electromagnetically induced torque. The probe is absolutely free form mechanical friction, and therefore, the accurate measurements of the viscosity of gases can be achieved. To demonstrate the accuracy and sensitivity of our method, we measured the viscosity of 8 kinds of gases and its temperature change from 278 K to 318 K, and we confirmed a good agreement between the obtained values and literature values. This paper demonstrates that our method has the ability to measure the fluid viscosity in the order of μ Pa ⋅ s.
    Print ISSN: 0034-6748
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  • 89
    Publication Date: 2016-12-09
    Description: We present an ultra-low noise, high-voltage driver suited for use with piezoelectric actuators and other low-current applications. The architecture uses a flyback switching regulator to generate up to 250 V in our current design, with an output of 1 kV or more possible with small modifications. A high slew-rate op-amp suppresses the residual switching noise, yielding a total root-mean-square noise of ≈100 μ V (1 Hz–100 kHz). A low-voltage (±10 V), high bandwidth signal can be summed with unity gain directly onto the output, making the driver well-suited for closed-loop feedback applications. Digital control enables both repeatable setpoints and sophisticated control logic, and the circuit consumes less than 150 mA at ±15 V.
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  • 90
    Publication Date: 2016-12-09
    Description: A new solid-state electrotransport (SSE) apparatus for refining ultra-pure single crystals of metallic compounds under ultra-high vacuum is described. The setup employs a novel thermal expansion compensation mechanism to minimize mechanical stress on the sample during refinement with cold clamps for contamination-less purification at elevated temperatures. The apparatus is designed to tune the composition of initially slightly off-stoichiometric samples. The expansion compensation and stress-free operation were tested by recording the thermal expansion of elemental cerium in a treatment up to 655 °C. SSE refinement was then performed on a high-quality single crystal of U 6 Fe resulting in a 50% increase of its residual resistivity ratio to the highest value obtained for a single crystal to date.
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  • 91
    Publication Date: 2016-12-09
    Description: A 45° dual-drive symmetric photoelastic modulator is demonstrated. Two piezoelectric actuators are connected to a symmetric photoelastic crystal at an angle of 45°. When the amplitudes of the stress standing waves induced by the two piezoelectric actuators are equal and the phase difference between the two stress standing waves is π 2 , the modulation axis performs circular motion with a frequency of half of the photoelastic modulator’s resonant frequency, while the retardation remains a constant that is determined at the driving voltage amplitudes. This reveals a new polarization modulation method. We have theoretically analyzed and experimentally observed the new polarization modulation, and the retardation calibration is also reported.
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  • 92
    Publication Date: 2016-12-09
    Description: The high-resolution photoabsorption spectrum of O 2 below the O 1 s σ − 1 ionization threshold has been reanalyzed by using a sophisticated fit approach. For the vibrational substates of the O 1 s σ u − 1 ( 4 ∑ u − ) 3 s σ g ( 3 ∑ u − ) Rydberg state Fano lineshapes are observed indicating an interaction with the O 1 s σ g − 1 ( 4 ∑ g − ) 3 σ u ∗ ( 3 ∑ u − ) core-to-valence excited state. In the angularly resolved ion-yield spectrum recorded at 90° relative to the polarization direction of the synchrotron radiation clear evidence for the O 1 s σ g − 1 ( 2 ∑ g − ) 3 σ u ∗ ( 3 ∑ u − ) and the O 1 s σ u − 1 ( 2 ∑ u − ) 3 s σ g ( 3 ∑ u − ) state was found. This observation clearly suggests thatΛ, the projection of total orbital angular momentum on the molecular axis, is not well separated in the angularly resolved ion-yield spectrum due to a partial breakdown of the axial-recoil approximation for these transitions.
    Print ISSN: 0021-9606
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    Topics: Chemistry and Pharmacology , Physics
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  • 93
    Publication Date: 2016-12-09
    Print ISSN: 0021-9606
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    Topics: Chemistry and Pharmacology , Physics
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  • 94
    Publication Date: 2016-12-09
    Description: A numerical investigation of the vortex-induced vibration (VIV) in a side-by-side circular cylinder arrangement has been performed in a two-dimensional laminar flow environment. One of the cylinders is elastically mounted and only vibrates in the transverse direction, while its counterpart remains stationary in a uniform flow stream. When the gap ratio is sufficiently small, the flip-flopping phenomenon of the gap flow can be an additional time-dependent interference to the flow field. This phenomenon was reported in the experimental work of Bearman and Wadcock [“The interaction between a pair of circular cylinders normal to a stream,” J. Fluid Mech. 61 (3), 499–511 (1973)] in a side-by-side circular cylinder arrangement, in which the gap flow deflects toward one of the cylinders and switched its sides intermittently. Albeit one of the two cylinders is free to vibrate, the flip-flop of a gap flow during VIV dynamics can still be observed outside the lock-in region. The exact moments of the flip-flop phenomenon due to spontaneous symmetry breaking are observed in this numerical study. The significant characteristic vortex modes in the near-wake region are extracted via dynamic modal analysis and the interference between the gap flow and VIV is found to be mutual. In a vibrating side-by-side arrangement, the lock-in region with respect to reduced velocity becomes narrower due to the interference from its stationary counterpart. The frequency lock-in occurs and ends earlier than that of an isolated vibrating circular cylinder subjected to an identical flow environment. Similar to a tandem cylinder arrangement, in the post-lock-in region, the maximum vibration amplitudes are escalated compared with those of an isolated circular cylinder configuration. On the other hand, subjected to the influence from VIV, the biased gap flow deflects toward the vibrating cylinder quasi-stably during the frequency lock-in process. This behavior is different from the reported bi-stable regime in a stationary side-by-side arrangement. The analyses show that the flip-flop is associated with a characteristic low flip-flopping frequency, which is dependent upon the values of gap ratio, Reynolds number and the symmetry of the gap flow strength in a time-averaged sense. The disappearance of the flip-flop during the frequency lock-in of vibrating side-by-side arrangements is further investigated through a critical-point concept and a critical vortex merging distance.
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  • 95
    Publication Date: 2016-12-09
    Description: Microwave linear plasmas sustained by surface waves have attracted much attention due to the potential abilities to generate large-scale and uniform non-equilibrium plasmas. An external magnetic field was generally applied to enhance and stabilize plasma sources because the magnetic field decreased the electron losses on the wall. The effects of magnetic field on the generation and propagation mechanisms of the microwave plasma were tentatively investigated based on a 2-D numerical model combining a coupled system of Maxwell's equations and continuity equations. The mobility of electrons and effective electric conductivity of the plasma were considered as a full tensor in the presence of magnetic field. Numerical results indicate that both cases of magnetic field in the axial-direction and radial-direction benefit the generation of a high-density plasma; the former one allows the microwave to propagate longer in the axis direction compared to the latter one. The time-averaged power flow density and the amplitude of the electric field on the inner rod of coaxial waveguide attenuate with the propagation of the microwave for both cases of with and without external magnetic field. The attenuation becomes smaller in the presence of appropriately higher axial-direction magnetic field, which allows more microwave energies to transmit along the axial direction. Meanwhile, the anisotropic properties of the plasma, like electron mobility, in the presence of the magnetic field confine more charged particles in the direction of the magnetic field line.
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  • 96
    facet.materialart.
    Unknown
    American Institute of Physics (AIP)
    Publication Date: 2016-12-09
    Description: We present the evidence of universality in conical tip formation during the freezing of arbitrary-shaped sessile droplets. The focus is to demonstrate the relationship between this universality and the liquid drop shape. We observe that, in the case of asymmetric drops, this universal shape is achieved when the tip reconfigures by changing its location, which subsequently alters the frozen drop shape. The proposed “two-triangle” model quantifies the change in the tip configuration as a function of the asymmetry of the drop that shows a good agreement with the experimental evidence. Finally, based on the experimental and theoretical exercise, we propose the scaling dependence between the variations in the tip configuration and the asymmetry of the drop.
    Print ISSN: 0003-6951
    Electronic ISSN: 1077-3118
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  • 97
    Publication Date: 2016-12-09
    Description: Using optical pump–white light probe spectroscopy, the gain dynamics is investigated for a vertical-external-cavity surface-emitting laser chip, which is based on a type-II heterostructure. The active region of the chip consists of a GaAs/(GaIn)As/Ga(AsSb)/(GaIn)As/GaAs multiple quantum well. For this structure, a fully microscopic theory predicts a modal room temperature gain at a wavelength of 1170 nm, which is confirmed by the experimental spectra. The results show a gain buildup on the type-II chip that is delayed relative to that of a type-I chip. This slower gain dynamics is attributed to a diminished cooling rate arising from the reduced electron–hole scattering.
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  • 98
    Publication Date: 2016-12-09
    Description: A detailed study is performed on the parameter space of the mechanical system of a driven pendulum with damping and constant torque under feedback control. We report an interesting bow-tie shaped bursting oscillatory behaviour, which is exhibited for small driving frequencies, in a certain parameter regime, which has not been reported earlier in this forced system with dynamic feedback. We show that the bursting oscillations are caused because of a transition of the quiescent state to the spiking state by a saddle-focus bifurcation, and because of another saddle-focus bifurcation, which leads to cessation of spiking, bringing the system back to the quiescent state. The resting period between two successive bursts ( T rest ) is estimated analytically.
    Print ISSN: 1054-1500
    Electronic ISSN: 1089-7682
    Topics: Physics
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  • 99
    Publication Date: 2016-12-09
    Description: The growth kinetics and properties of nominally 1-ML (monolayer)-thick InN wells on/in +c-GaN matrix fabricated using dynamic atomic layer epitaxy (D-ALEp) by plasma-assisted molecular beam epitaxy were systematically studied, with particular attention given to the effects of growth temperature. Attention was also given to how and where the ∼1-ML-thick InN layers were frozen or embedded on/in the +c-GaN matrix. The D-ALEp of InN on GaN was a two-stage process; in the 1st stage, an “In+N” bilayer/monolayer was formed on the GaN surface, while in the 2nd, this was capped by a GaN barrier layer. Each process was monitored in-situ using spectroscopic ellipsometry. The target growth temperature was above 620 °C and much higher than the upper critical epitaxy temperature of InN (∼500 °C). The “In+N” bilayer/monolayer tended to be an incommensurate phase, and the growth of InN layers was possible only when they were capped with a GaN layer. The InN layers could be coherently inserted into the GaN matrix under self-organizing and self-limiting epitaxy modes. The growth temperature was the most dominant growth parameter on both the growth process and the structure of the InN layers. Reflecting the inherent growth behavior of D-ALEp grown InN on/in +c-GaN at high growth temperature, the embedded InN layers in the GaN matrix were basically not full-ML in coverage, and the thickness of sheet-island-like InN layers was essentially either 1-ML or 2-ML. It was found that these InN layers tended to be frozen at the step edges on the GaN and around screw-type threading dislocations. The InN wells formed type-I band line-up heterostructures with GaN barriers, with exciton localization energies of about 300 and 500 meV at 15 K for the 1-ML and 2-ML InN wells, respectively.
    Print ISSN: 0021-8979
    Electronic ISSN: 1089-7550
    Topics: Physics
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  • 100
    Publication Date: 2016-12-09
    Description: Linearity is an important and frequently sought property in electronics and instrumentation. Here, we report a method capable of, given a transfer function (theoretical or derived from some real system), identifying the respective most linear region of operation with a fixed width. This methodology, which is based on least squares regression and systematic consideration of all possible regions, has been illustrated with respect to both an analytical (sigmoid transfer function) and a simple situation involving experimental data of a low-power, one-stage class A transistor current amplifier. Such an approach, which has been addressed in terms of transfer functions derived from experimentally obtained characteristic surface, also yielded contributions such as the estimation of local constants of the device, as opposed to typically considered average values. The reported method and results pave the way to several further applications in other types of devices and systems, intelligent control operation, and other areas such as identifying regions of power law behavior.
    Print ISSN: 0034-6748
    Electronic ISSN: 1089-7623
    Topics: Electrical Engineering, Measurement and Control Technology , Physics
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