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  • Elsevier  (141,454)
  • American Institute of Physics (AIP)  (11,864)
  • 2015-2019  (153,318)
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  • 2016  (153,318)
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  • 1
    Publication Date: 2021-05-12
    Description: Today, satellite remote sensing has reached a key role in Earth Sciences. In particular, Synthetic ApertureRadar (SAR) sensors and SAR Interferometry (InSAR) techniques are widely used for the study of dynamicprocesses occurring inside our living planet. Over the past 3 decades, InSAR has been applied for mappingtopography and deformation at the Earth’s surface. These maps are widely used in tectonics, seismology,geomorphology, and volcanology, in order to investigate the kinematics and dynamics of crustal faulting,the causes of postseismic and interseismic displacements, the dynamics of gravity driven slope failures,and the deformation associated with subsurface movement of water, hydrocarbons or magmatic fluids.
    Description: Published
    Description: 58-82
    Description: 1T. Geodinamica e interno della Terra
    Description: 4T. Fisica dei terremoti e scenari cosismici
    Description: 3V. Dinamiche e scenari eruttivi
    Description: JCR Journal
    Description: reserved
    Keywords: SAR ; InSAR ; Earth observation ; Surface displacements ; Satellite missions ; Advanced InSAR ; Earthquake studies ; Volcanic studies ; Tectonic process ; Coseismic studies ; Soil liquefaction ; Post-seismic studies ; Interseismic studies ; Volcanic unrest ; Pre-eruptive phase ; Eruptive phase ; 04. Solid Earth::04.03. Geodesy::04.03.01. Crustal deformations ; 04. Solid Earth::04.03. Geodesy::04.03.06. Measurements and monitoring ; 04. Solid Earth::04.03. Geodesy::04.03.07. Satellite geodesy ; 04. Solid Earth::04.03. Geodesy::04.03.09. Instruments and techniques ; 04. Solid Earth::04.06. Seismology::04.06.03. Earthquake source and dynamics ; 04. Solid Earth::04.06. Seismology::04.06.11. Seismic risk ; 04. Solid Earth::04.07. Tectonophysics::04.07.07. Tectonics
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
    Type: article
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  • 2
    Publication Date: 2018-12-19
    Description: The timing and geometry of the initial Gondwana break-up between Africa and East Antarctica is still poorly known due to missing information about the continent-ocean boundaries along the rifted margins. In this context, the Beira High off central Mozambique forms a critical geological feature of uncertain crustal fabric. Based on new wide-angle seismic and potential field data across Beira High a P-wave velocity model, supported by amplitude and gravity modelling, provides constraints on the crustal composition of this area. In the Mozambique Basin mainly normal oceanic crust of 5.5–7 km thickness with velocities of 6.5–7.0 km/s in the lower crust is present. A sharp transition towards Beira High marks the continent-ocean boundary. Here the crust thickens to 23 km at maximum. A small velocity-depth gradient and a constant increase in velocity with basal velocities of maximum 7.0 km/s are in good agreement with typical velocities of continental crust and continental fragments. The density model indicates the existence of felsicmaterial in greater depths and supports a fabric of stretched, but highly intruded continental crust below Beira High. A gradual decrease in crustal thickness characterizes the transition towards the Mozambican shelf area. Here, in the Zambezi Delta Depression 12 km of sediments cover the underlying 7 km thick crust. The presence of a high-velocity lower crustal body with velocities of 7.1–7.4 km/s indicates underplated, magmatic material in this part of the profile. However, the velocity structure in the shelf area allows no definite interpretation because of the experimental setup. Thus, the crustal nature below the Zambezi Delta and consequently the landward position of the continentocean boundary remains unknown. The difference in stretching below the margins of Beira High suggests the presence of different thinning directions and a rift jump during the early rifting stage.
    Repository Name: EPIC Alfred Wegener Institut
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  • 3
    Publication Date: 2016-07-06
    Description: This paper presents the results of measurements of aerosol physical and chemical properties during iAREA2014 campaign that took place on Svalbard between 15th of Mar and 4th of May 2014. With respect to field area, the experiment consisted of two sites: NyeÅlesund (78�550N, 11�560E) and Longyearbyen (78�130N, 15�330E) with further integration of Aerosol Robotic Network (AERONET) station in Hornsund (77�000N, 15�330E). The subject of this study is to investigate the inesitu, passive and active remote sensing observations as well as numerical simulations to describe the temporal variability of aerosol singleescattering properties during spring season on Spitsbergen. The retrieval of the data indicates several event days with enhanced singleescattering properties due to the existence of sulphate and additional seaesalt load in the atmosphere which is possibly caused by relatively high wind speed. Optical results were confirmed by numerical simulations made by the GEMeAQ model and by chemical observations that indicated up to 45% contribution of the seaesalt to a PM10 total aerosol mass concentration. An agreement between the in-situ optical and microphysical properties was found, namely: the positive correlation between aerosol scattering coefficient measured by the nephelometer and effective radius obtained from laser aerosol spectrometer as well as negative correlation between aerosol scattering coefficient and the Ångstrom exponent indicated that slightly larger particles dominated during special events. The inesitu surface observations do not show any significant enhancement of the absorption coefficient as well as the black carbon concentration which might occur during spring. All of extensive singleescattering properties indicate a diurnal cycle in Longyearbyen, where 21:00e5:00 data stays at the background level, however increasing during the day by the factor of 3e4. It is considered to be highly connected with local emissions originating in combustion, traffic and harbour activities. On the other hand, no daily fluctuations in NyeÅlesund are observed. Mean values in NyeÅlesund are equal to 8.2, 0.8 Mm�1 and 103 ng/m3 for scattering, absorption coefficients and black carbon concentration; however in Longyearbyen (only data from 21:00e05:00 UTC) they reach 7.9, 0.6 Mm�1 as well as 83 ng/ m3 respectively. Overall, the spring 2014 was considerably clean and seaesalt was the major aerosol component
    Repository Name: EPIC Alfred Wegener Institut
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  • 4
    Publication Date: 2016-09-24
    Description: Thermokarst processes characterize a variety of ice-rich permafrost terrains and often lead to lake formation. The long-term evolution of thermokarst landscapes and the stability and longevity of lakes depend upon climate, vegetation and ground conditions, including the volume of excess ground ice and its distribution. The current lake status of thermokarst-lake landscapes and their future trajectories under climatewarming are better understood in the light of their long-term development. We studied the lake-rich southern marginal upland of the Yukon Flats (northern interior Alaska) using dated lake-sediment cores, observations of river-cut exposures, and remotely-sensed data. The region features thick (up to 40 m)Quaternary deposits (mainly loess) that contain massive ground ice. Two of three studied lakes formed ~11,000–12,000 cal yr BP through inferred thermokarst processes, and fire may have played a role in initiating thermokarst development. From ~9000 cal yr BP, all lakes exhibited steady sedimentation, and pollen stratigraphies are consistentwith regional patterns. The current lake expansion rates are low (0 to b7 cmyr−1 shoreline retreat) compared with other regions (~30 cm yr−1 or more). This thermokarst lake-rich region does not showevidence of extensive landscape lowering by lake drainage, nor of multiple lake generations within a basin. However, LiDAR images reveal linear “corrugations” (N5 m amplitude), deep thermo-erosional gullies, and features resembling lake drainage channels, suggesting that highly dynamic surface processes have previously shaped the landscape. Evidently, widespread early Holocene permafrost degradation and thermokarst lake initiation were followed by lake longevity and landscape stabilization, the latter possibly related to establishment of dense forest cover. Partial or complete drainage of three lakes in 2013 reveals that there is some contemporary landscape dynamism. Holocene landscape evolution in the study area differs from that described from other thermokarst-affected regions; regional responses to future environmental change may be equally individualistic.
    Repository Name: EPIC Alfred Wegener Institut
    Type: Article , isiRev , info:eu-repo/semantics/article
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  • 5
    Publication Date: 2016-09-23
    Description: Thermokarst lakes develop as a result of the thaw and collapse of ice-rich, permanently frozen ground (permafrost). Of particular sedimentological importance are thermokarst lakes forming in late Pleistocene icy silt (yedoma),which dramatically alter the land surface by lowering surface elevation and redistributing upland sediment into lower basins. Our study provides the first description of yedoma thermokarst lake sedimentology based on the crossbasin sampling of an existing lake. We present lake sediment facies descriptions based on data from sediment cores from two thermokarst lakes of medium depth, Claudi and Jaeger (informal names), which formed in previously non thermokarst-affected upland yedoma on the northern Seward Peninsula, Alaska. We identify four prominent facies using sedimentological, biogeochemical, and macrofossil indicators: a massive silt lacking aquatic macrofossils and other aquatic indicators situated below a sub-lacustrine unconformity (Facies 1); two basal deposits: interbedded organic silt and chaotic silt (Facies 2–3); and a silt-rich mud (Facies 4). Facies 1 is interpreted as yedoma that has thawed during lake formation. Facies 3 formed adjacent to the margin due to thaw and collapse events from the lake shore. Material from Facies 3 was reworked by wave action to form Facies 2 in a medium energy margin environment. Facies 4 formed in a lower energy environment toward the lake basin center. This facies classification and description should enhance our ability (i) to interpret the spatial and temporal development of lakes and (ii) to reconstruct long-term patterns of landscape change.
    Repository Name: EPIC Alfred Wegener Institut
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  • 6
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    Elsevier
    In:  EPIC3Fate and Impact of Microplastics in Marine Ecosystems, Fate and Impact of Microplastics in Marine Ecosystems, Elsevier, 1 p., pp. 162-163, ISBN: 978-0-12-812271-6
    Publication Date: 2017-06-21
    Description: Since the 1950s more than 6.1 billion tons of plastics have been produced. It has been estimated that about 10% of this amount will be deposited long-term in theOceans. The problem is highlighted by several currentstudies using different environmental sampling protocols and analytical methods. Effects of this anthropogenic litter on the environment and organisms are heavily on debate, emphasizing the need to transfer this knowledge to young educated people and to fuel educational programs. The school lab OPENSEA at the Alfred-Wegener-Institute on Helgoland started a joint high school project on marine plastic litter in cooperation with the experts of the marine microplastics group at AWI to link science and education more closely. Based on the OSPAR protocol for beach monitoring of marine litter we developed an experimental set up focusing on sampling and identification of plastic litter on beaches, shores and in sediments in the course of the OPENSEA science and education program for grammar and high school scholars. This monitoring provides environmental data on marine plastic litter and will be integrated in a long term data monitoring program in the course of a citizen science study. In addition we plan to integrate also smaller plastic particles into the project. Fractionated sediment samples will be screened for particles 〉 0.5mm, which then will be analyzed by ATR-FT-IR. These educational activities, with a strong link to the latest science and to sophisticated technology will raise the awareness of younger people for the marine litter problematic. We aim at increasingtheir concerns after taking part in this program. We will present background information, sampling strategies, identification efforts and results based on this scholar science project.
    Repository Name: EPIC Alfred Wegener Institut
    Type: Inbook , peerRev
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  • 7
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    Elsevier
    In:  EPIC3Fate and Impact of Microplastics in Marine Ecosystems, Elsevier
    Publication Date: 2017-05-29
    Description: The pollution of the oceans with plastic particles smaller than 5 mm, called microplastics is moving into the focus of science and governments. To determine the amount of microplastics several steps are necessary, starting with the sampling, work up and finally analysis. Each step has its own challenges due to small size of the particles. For analysis the imaging with µFTIR microscopy is a powerful tool allowing the analysis of complete filters. Systematic screening for optimal conditions and filter materials have already been performed. This method has a high time demand regarding the measurement and data interpretation. While the measurement is performed mostly by the spectrometer, the interpretation has to be made by hand on the basis of false color images. To overcome the manual part we developed a novel approach based on the Bruker OPUS© Software to decrease the high time demand for the analysis of microplastics. With this approach it was possible to analyze measurement files from focal plane array (FPA) FTIR mapping containing up to 1.8 million single spectra. These spectra were compared with a database of different synthetic and natural polymers by various methods. By benchmark tests their performance was monitored with the focus on accuracy and data quality. After optimization high quality data was generated, which allowed image analysis. Based on these results an approach for image analysis was developed, giving information for the particle size distribution for each polymer type, particle distribution on the filter and polymer distribution for the particles. It was possible to collect all data with relative ease even for complex sample matrices. This approach has significantly decreased the time demand for the interpretation of FTIR-imaging data and increased the generated data quality.
    Repository Name: EPIC Alfred Wegener Institut
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  • 8
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    Elsevier
    In:  EPIC3Remote Sensing of Environment, Elsevier, 187, pp. 30-48, ISSN: 0034-4257
    Publication Date: 2017-01-20
    Description: Research on processes leading to formation, maintenance, and disappearance of polynyas in the Polar Regions benefits significantly from the use of different types of remote sensing data. The Sentinels of the European Space Agency (ESA), together with other satellite missions, provide a variety of data from different parts of the electromagnetic spectrum, at different spatial scales, and with different temporal resolutions. In a case study we demonstrate the advantage of merging data from different spaceborne instruments for analysing ice conditions and ice dynamics in and around the frequently occurring Terra Nova Bay Polynya (TNBP) in the Ross Sea in the Antarctic. Starting with a list of polynya parameters that are typically retrieved from satellite images, we assess the usefulness of different sensor types. On regional scales (several 100 km), passive microwave radiometers provide a view on the mutual influence of the three Ross Sea polynyas on sea ice drift and deformation patterns. Optical sensors with meter-scale resolution, on the other hand, allow very localized analyses of different polynya zones. The combination of different ranges of the electromagnetic spectrum is essential for recognition and classification of ice types and structures. Radar images together with data from thermal infrared sensors, operated at tens to hundreds of meters resolution, improve the separation of the outlet zone of the polynya from the adjacent pack ice. The direct comparison of radar and passive microwave images reveals the visibility of deformed ice zone in the latter. A sequence of radar images was employed to retrieve ice drift around the TNB, which allows analysing the temporal changes of the polynya area and the extension and structure of the outlet zone as well as ice movements and deformation that are influenced by the katabatic winds.
    Repository Name: EPIC Alfred Wegener Institut
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  • 9
    Publication Date: 2016-10-10
    Repository Name: EPIC Alfred Wegener Institut
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  • 10
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    Elsevier
    In:  EPIC3Climate Change, Ocean Current Changes, Amsterdam, Elsevier, pp. 253-269
    Publication Date: 2016-12-05
    Repository Name: EPIC Alfred Wegener Institut
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  • 11
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    Elsevier
    In:  EPIC3Deep Sea Research Part I: Oceanographic Research Papers, Elsevier, 107, pp. 70-81
    Publication Date: 2019-08-19
    Description: The Weddell Sea plays an important role for the global oceans and climate by being one of the biggest production and export areas of Antarctic Bottom Water (AABW). Circumpolar Deep Water (CDW) enters the Weddell Gyre (WG) at its eastern boundary. Then called Warm Deep Water (WDW), it is a major contributor to the formation of deep and bottom waters due to ocean-ice shelf interactions in the southern and soutwestern Weddell Sea. Hydrographic data collected between 0 and 30°E on the RV Polarstern cruise ANT XX/2 reveals a two-core structure for the eastern inflow of warm water at roughly 20°E but not further downstream at the Greenwich meridian (GM). Model results and climatological fields suggest that the two cores represent two separate modes of warm inflow. One mode is driven by eddy mixing in the northeastern corner of the WG and the other one is an advective mode, forming the southern branch of the inflow which extends beyond 30°E before turning westward. Both pathways are likely to carry waters from different origins within the Antarctic Circumpolar Current (ACC), where more ventilated CDW is found at the Southern Boundary (SB) compared to the centre. The southern route shows considerable interannual variability in the model. A variable inflow of two types of CDW together with admixed recirculated and cooler waters from the Weddell Sea can potentially contribute to the observed variability and warming trend of WDW over the last decade at the GM.
    Repository Name: EPIC Alfred Wegener Institut
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  • 12
    Publication Date: 2019-07-17
    Description: Microcystis are known for their potential ability to synthesize toxins, mainly microcystins (MCs). In order to evaluate the effects of temperature on chlorophyll a (Chl a), growth, physiological responses and toxin production of a native Microcystis aeruginosa, we exposed the cells to low (23 °C) and high (29 °C) temperature in addition to a 26 °C control treatment. Exponential growth rate was significantly higher at 29 °C compared to 23 °C and control, reaching 0.43, 0.32 and 0.33 day−1 respectively. In addition, there was a delay of the start of exponential growth at 23 °C. However, the intracellular concentration of Chl a decreased significantly due to temperature change. A significant increase in intracellular ROS was observed in coincidence with the activation of enzymatic antioxidant catalase (CAT) during the first two days of exposure to 23° and 29 °C in comparison to the control experiment, decreasing thereafter to nearly initial values. Five MCs were determined by LC-MS/MS analysis. In the experiments, the highest MC concentration, 205 fg [Leu1] MC-LR.cell− 1 expressed as MC-LR equivalent was measured in the beginning of the experiment and subsequently declined to 160 fg.cell− 1 on day 2 and 70 fg.cell− 1 on day 4 in cells exposed to 29 °C. The same trend was observed for all other MCs except for the least abundant MC-LR which showed a continuous increase during exposure time. Our results suggest a high ability of M. aeruginosa to perceive ROS and to rapidly initiate antioxidant defenses with a differential response on MC production.
    Repository Name: EPIC Alfred Wegener Institut
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  • 13
    Publication Date: 2016-10-01
    Repository Name: EPIC Alfred Wegener Institut
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  • 14
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    Elsevier
    In:  EPIC3MICRO 2016. Fate and Impact of Microplastics in Marine Ecosystems, MICRO 2016. Fate and Impact of Microplastics in Marine Ecosystems, Elsevier, 1 p., pp. 120-120, ISBN: 9780128122716
    Publication Date: 2016-12-12
    Repository Name: EPIC Alfred Wegener Institut
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  • 15
    Publication Date: 2017-06-07
    Description: Over the past ~ 5000 years, amplified dust generation and deposition in the American West has been linked to human activity. In recent decades, intensified rates of agriculture and livestock grazing have been correlated with greater dust production detected on seasonal to annual timescales. The combination of land use intensification and climate change (i.e. increased drought frequency) in North America highlights the importance of characterizing the sources of dust both before and after the influence of anthropogenic activity. We apply high-precision geochemical and isotopic (Sr and Nd isotopes) techniques to an ice core from the Upper Fremont Glacier (Wyoming, USA) to produce the first glacial dataset from the American West. Our Sr-Nd isotopic composition data indicates the evolving dust provenance to the Upper Fremont Glacier (UFG) from a long-range transport of mineral dust to a local source. This increasing input of dust from a local source is supported by a rise in average dust particle diameter combined with greater average dust concentration throughout the record. The greater presence of dust particles smaller than 2.5 μm in the most recent samples from UFG ice core record support existing satellite and sediment core data regarding the effects of anthropogenic activity upon dust sources and pathways in the American West. Although the Sr-Nd isotope database in North America needs be expanded, our results provide a survey of windborne dust through the past 270 years.
    Repository Name: EPIC Alfred Wegener Institut
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  • 16
    Publication Date: 2019-07-17
    Description: Reactive iron (oxyhydr)oxide minerals preferentially undergo early diagenetic redox cycling which can result in the production of dissolved Fe(II), the adsorption of Fe(II) onto particle surfaces, and the formation of authigenic Fe minerals. The partitioning of iron in sediments has traditionally been studied by applying sequential extractions that target operationally-defined iron phases. Here, we complement an existing sequential leaching method by developing a sample processing protocol for δ56Fe analysis, which we subsequently use to study Fe phase-specific fractionation related to dissimilatory iron reduction in a modern marine sediment. Carbonate-Fe was extracted by acetate, easily reducible oxides (e.g. ferrihydrite and lepidocrocite) by hydroxylamine–HCl, reducible oxides (e.g. goethite and hematite) by dithionite–citrate, and magnetite by ammonium oxalate. Subsequently, the samples were repeatedly oxidized, heated and purified via Fe precipitation and column chromatography. The method was applied to surface sediments collected from the North Sea, south of the island of Helgoland. The acetate-soluble fraction (targeting siderite and ankerite) showed a pronounced downcore δ56Fe trend. This iron pool was most depleted in 56Fe close to the sediment–water interface, similar to trends observed for pore-water Fe(II). We interpret this pool as surface-reduced Fe(II), rather than siderite or ankerite, that was open to electron and atom exchange with the oxide surface. Common extractions using 0.5 M HCl or Na-dithionite alone may not resolve such trends, as they dissolve iron from isotopically distinct pools leading to a mixed signal. Na-dithionite leaching alone, for example, targets the sum of reducible Fe oxides that potentially differ in their isotopic fingerprint. Hence, the development of a sequential extraction Fe isotope protocol provides a new opportunity for detailed study of the behavior of iron in a wide range of environmental settings.
    Repository Name: EPIC Alfred Wegener Institut
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  • 17
    Publication Date: 2016-02-12
    Description: The focus of this research has been on detecting changes in lake areas, vegetation, land surface temperatures, and the area covered by snow, using data from remote sensing. The study area covers the main (central) part of the Lena River catchment in the Yakutia region of Siberia (Russia), extending from east of Yakutsk to the central Siberian Plateau, and from the southern Lena River to north of the Vilyui River. Approximately 90% of the area is underlain by continuous permafrost. Remote sensing products were used to analyze changes in water bodies, land surface temperature (LST), and leaf area index (LAI), as well as the occurrence and extent of forest fires, and the area and duration of snow cover. The remote sensing analyses (for LST, snow cover, LAI, and fire) were based on MODIS–derived NASA products (250–1000 m) for 2000 to 2011. Changes in water bodies were calculated from two mosaics of (USGS) Landsat (30 m) satellite images from 2002 and 2009. Within the study area's 315,000 km2 the total area covered by lakes increased by 17.9% between 2002 and 2009, but this increase varied in different parts of the study area, ranging between 11% and 42%. The land surface temperatures showed a consistent warming trend, with an average increase of about 0.12 °C/year. The average rate of warming during the April–May transition period was 0.17 °C/year and 0.19 °C/year in the September–October period, but ranged up to 0.49 °C/year during September–October. Regional differences in the rates of land surface temperature change, and possible reasons for the temperature changes, are discussed with respect to changes in the land cover. Our analysis of a broad spectrum of variables over the study area suggests that the spring warming trend is very likely to be due to changes in the area covered by snow. The warming trend observed in fall does not, however, appear to be directly related to any changes in the area of snow cover, or to the atmospheric conditions, or to the proportion of the land surface that is covered by water (i.e., to wetting and drying). Supplementary data (original data, digitized version of the maps, metadata) are archived under PANGAEA (http://dx.doi.org/10.1594/PANGAEA.855124).
    Repository Name: EPIC Alfred Wegener Institut
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  • 18
    Publication Date: 2016-06-23
    Description: The Southern Ocean (SO) is a major sink for anthropogenic atmospheric carbon dioxide (CO2), potentially harbouring even greater potential for additional sequestration of CO2 through enhanced phytoplankton productivity. In the SO, primary productivity is primarily driven by bottom up processes (physical and chemical conditions) which are spatially and temporally heterogeneous. Due to a paucity of trace metals (such as iron) and high variability in light, much of the SO is characterised by an ecological paradox of high macronutrient concentrations yet uncharacteristically low chlorophyll concentrations. It is expected that with increased anthropogenic CO2 emissions and the coincident warming, the major physical and chemical process that govern the SO will alter, influencing the biological capacity and functioning of the ecosystem. This review focuses on the SO primary producers and the bottom up processes that underpin their health and productivity. It looks at the major physico-chemical drivers of change in the SO, and based on current physiological knowledge, explores how these changes will likely manifest in phytoplankton, specifically, what are the physiological changes and floristic shifts that are likely to ensue and how this may translate into changes in the carbon sink capacity, net primary productivity and functionality of the SO.
    Repository Name: EPIC Alfred Wegener Institut
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  • 19
    Publication Date: 2017-06-14
    Description: We compare and contrast the ecological impacts of atmospheric and oceanic circulation patterns on polar and sub-polar marine ecosystems. Circulation patterns differ strikingly between the north and south. Meridional circulation in the north provides connections between the sub-Arctic and Arctic despite the presence of encircling continental landmasses, whereas annular circulation patterns in the south tend to isolate Antarctic surface waters from those in the north. These differences influence fundamental aspects of the polar ecosystems from the amount, thickness and duration of sea ice, to the types of organisms, and the ecology of zooplankton, fish, seabirds and marine mammals. Meridional flows in both the North Pacific and the North Atlantic oceans transport heat, nutrients, and plankton northward into the Chukchi Sea, the Barents Sea, and the seas off the west coast of Greenland. In the North Atlantic, the advected heat warms the waters of the southern Barents Sea and, with advected nutrients and plankton, supports immense biomasses of fish, seabirds and marine mammals. On the Pacific side of the Arctic, cold waters flowing northward across the northern Bering and Chukchi seas during winter and spring limit the ability of boreal fish species to take advantage of high seasonal production there. Southward flow of cold Arctic waters into sub-Arctic regions of the North Atlantic occurs mainly through Fram Strait with less through the Barents Sea and the Canadian Archipelago. In the Pacific, the transport of Arctic waters and plankton southward through Bering Strait is minimal. In the Southern Ocean, the Antarctic Circumpolar Current and its associated fronts are barriers to the southward dispersal of plankton and pelagic fishes from sub-Antarctic waters, with the consequent evolution of Antarctic zooplankton and fish species largely occurring in isolation from those to the north. The Antarctic Circumpolar Current also disperses biota throughout the Southern Ocean, and as a result, the biota tends to be similar within a given broad latitudinal band. South of the Southern Boundary of the ACC, there is a large-scale divergence that brings nutrient-rich water to the surface. This divergence, along with more localized upwelling regions and deep vertical convection in winter, generates elevated nutrient levels throughout the Antarctic at the end of austral winter. However, such elevated nutrient levels do not support elevated phytoplankton productivity through the entire Southern Ocean, as iron concentrations are rapidly removed to limiting levels by spring blooms in deep waters. However, coastal regions, with the upward mixing of iron, maintain greatly enhanced rates of production, especially in coastal polynyas. In these coastal areas, elevated primary production supports large biomasses of zooplankton, fish, seabirds, and mammals. As climate warming affects these advective processes and their heat content, there will likely be major changes in the distribution and abundance of polar biota, in particular the biota dependent on sea ice.
    Repository Name: EPIC Alfred Wegener Institut
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  • 20
    Publication Date: 2016-03-17
    Description: Forests worldwide are threatened by various environmental and anthropogenic hazards, especially tropical forests. Knowledge on the impacts of these hazards on forest structure and dynamics has been compiled in empirical studies. However, the results of these studies are often not sufficient for long-term projections and extrapolations to large spatial scales especially for unprecedented environmental conditions, which require both the identification and understanding of key underlying processes. Forest models bridge this gap by incorporating multiple ecological processes in a dynamic framework (i.e. including a realistic model structure) and addressing the complexity of forest ecosystems. Here, we describe the evolution of the individual-based and process-based forest gap model FORMIND and its application to tropical forests. At its core, the model includes physiological processes on tree level (photosynthesis, respiration, tree growth, mortality, regeneration, competition). During the past two decades, FORMIND has been used to address various scientific questions arising from different forest types by continuously extending the model structure. The model applications thus provided understanding in three main aspects: (1) the grouping of single tree species into plant functional types is a successful approach to reduce complexity in vegetation models, (2) structural realism was necessary to analyze impacts of natural and anthropogenic disturbances such as logging, fragmentation, or drought, and (3) complex ecological processes such as carbon fluxes in tropical forests – starting from the individual tree level up to the entire forest ecosystem – can be explored as a function of forest structure, species composition and disturbance regime. Overall, this review shows how the evolution of long-term modelling projects not only provides scientific understanding of forest ecosystems, but also provides benefits for ecological theory and empirical study design.
    Repository Name: EPIC Alfred Wegener Institut
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  • 21
    Publication Date: 2016-05-02
    Description: Recent declines in ice shelf and sea ice extent experienced in polar regions highlight the importance of evaluating variations in local weather patterns in response to climate change. Airborne mineral particles (dust) transported through the atmosphere and deposited on ice sheets and glaciers in Antarctica and Greenland can provide a robust set of tools for resolving the evolution of climatic systems through time. Here we present the first high time resolution radiogenic isotope (strontium and neodymium) data for Holocene dust in a coastal East Antarctic ice core, accompanied by rare earth element composition, dust concentration, and particle size distribution during the last deglaciation. We aim to use these combined ice core data to determine dust provenance, with variations indicative of shifts in either dust production, sources, and/or transport pathways. We analyzed a series of 17 samples from the Taylor Dome (77◦47'47''S, 158◦43'26''E) ice core, 113–391m in depth from 1.1–31.4ka. Radiogenic isotopic and rare earth element compositions of dust during the last glacial period are in good agreement with previously measured East Antarctic ice core dust records. In contrast, the Holocene dust dataset displays a broad range in isotopic and rare earth element compositions, suggesting a shift from long-range transported dust to a more variable, local input that may be linked to the retreat of the Ross Ice Shelf during the last deglaciation. Observed changes in the dust cycle inferred from a coastal East Antarctic ice core can thus be used to infer an evolving local climate.
    Repository Name: EPIC Alfred Wegener Institut
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  • 22
    Publication Date: 2022-05-25
    Description: © The Author(s), 2016. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Continental Shelf Research 124 (2016): 165-181, doi:10.1016/j.csr.2016.06.005.
    Description: A new hydrographic climatology has been created for the continental shelf region, extending from the Labrador shelf to the Mid-Atlantic Bight. The 0.2-degree climatology combines all available observations of surface and bottom temperature and salinity collected between 1950 and 2010 along with the location, depth and date of these measurements. While climatological studies of surface and bottom temperature and salinity have been presented previously for various regions along the Canadian and U.S. shelves, studies also suggest that all these regions are part of one coherent system. This study focuses on the coherent structure of the mean seasonal cycle of surface and bottom temperature and salinity and its variation along the shelf and upper slope. The seasonal cycle of surface temperature is mainly driven by the surface heat flux and exhibits strong dependency on latitude (r≈−0.9). The amplitude of the seasonal cycle of bottom temperature is rather dependent on the depth, while the spatial distribution of bottom temperature is correlated with latitude. The seasonal cycle of surface salinity is influenced by several components, such as sea-ice on the northern shelves and river discharge in the Gulf of St. Lawrence. The bottom salinity exhibits no clear seasonal cycle, but its spatial distribution is highly correlated with bathymetry, thus Slope Water and its intrusion on the shelf can be identified by its relatively high salinity compared to shallow, fresher shelf water. Two different regimes can be identified, especially on the shelf, separated by the Laurentian Channel: advection influences the phasing of the seasonal cycle of surface salinity and bottom temperature to the north, while in the southern region, river runoff and air-sea heat flux forcing are dominant, especially over the shallower bathymetry.
    Description: Support from NSF OCE PO to Y-OK (OCE-1242989 and OCE-1435602) and SJL (OCE-1332666).
    Keywords: Seasonal climatology ; Temperature ; Salinity ; Dataset ; Shelf
    Repository Name: Woods Hole Open Access Server
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  • 23
    Publication Date: 2022-05-25
    Description: © The Author(s), 2015. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Quaternary Geochronology 30 (2015): 114–131, doi:10.1016/j.quageo.2015.09.001.
    Description: The ages of recent effusive eruptions on Erebus volcano, Antarctica are poorly known. Published 40Ar/39Ar ages of the 10 youngest “post-caldera” lava flows are unreliable because of the young ages of the flows (〈10 ka) and the presence of excess 40Ar. Here we use cosmogenic 3He and 36Cl to provide new ages for the 10 youngest flows and 3 older summit flows, including a newly recognized flow distinguished by its exposure age. Estimated eruption ages of the post-caldera flows, assuming no erosion or prior snow cover, range from 4.52 ± 0.08 ka to 8.50 ± 0.19 ka, using Lifton et al. (2014) to scale cosmogenic production rates. If the older Lal (1991)/Stone (2000) model is used to scale production rates, calculated ages are older by 16–25%. Helium-3 and chlorine-36 exposure ages measured on the same samples show excellent agreement. Helium-3 ages measured on clinopyroxene and olivine from the same samples are discordant, probably due in part to lower-than-expected 3He production rates in the Fe-rich olivine. Close agreement of multiple clinopyroxene 3He ages from each flow indicates that the effects of past snow coverage on the exposure ages have been minimal. The new cosmogenic ages differ considerably from published 40Ar/39Ar and 36Cl ages and reveal that the post-caldera flows were erupted during relatively brief periods of effusive activity spread over an interval of ∼4 ka. The average eruption rate over this interval is estimated to be 0.01 km3/ka. Because the last eruption was at least 4 ka ago, and the longest repose interval between the 10 youngest eruptions is ∼1 ka, we consider the most recent period of effusive activity to have ended.
    Description: This research was supported by grant ANT-1142083 from the National Science Foundation, Division of Polar Programs.
    Keywords: Erebus volcano ; Cosmogenic nuclides ; Exposure age ; Helium-3 ; Chlorine-36
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  • 24
    Publication Date: 2022-05-25
    Description: This paper is not subject to U.S. copyright. The definitive version was published in Deep Sea Research Part II: Topical Studies in Oceanography 132 (2016): 263–264, doi:10.1016/j.dsr2.2016.08.001.
    Repository Name: Woods Hole Open Access Server
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  • 25
    Publication Date: 2022-05-25
    Description: © The Author(s), 2016. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Methods in Oceanography 17 (2016): 264-281, doi:10.1016/j.mio.2016.09.004.
    Description: Understanding intrusive exchange at oceanic water mass fronts may depend on building data-constrained models of the processes, but obtaining the needed representative and comprehensive data is challenging. Acoustic imaging (remote sensing) is an attractive method for mapping the three-dimensional intrusion geometry to enable the required focused in situ sampling of the mixing processes in intrusions. The method depends on backscatter of sound from sharp interfaces and from microstructure resulting from double-diffusive instability (DDI), a probable occurrence at intrusions. The potential of the method is evaluated using data collected using established methods in a field of intrusions south of New England. Above and beneath warm and salty intrusions may lie diffusive–convective DDI microstructure and salt-fingering microstructure, respectively, marking the intrusion boundaries, providing the backscattering features. The data show that both types of microstructure can occur in close proximity within intrusions, but the question of whether this is common or not is unanswered by the modest amount of data, as are questions about continuity of DDI-microstructure in intrusions (to facilitate intrusion acoustic imaging) and variability of DDI-driven heat, salt and buoyancy fluxes. Analysis here shows that detectable backscatter from DDI-microstructure will occur, and can be easily measured when plankton scattering is low enough. Interface scattering is also likely to be detectable. The DDI-linked microstructure data used here are inherently interesting in their own right and are presented in some detail.
    Description: The data were collected under Office of Naval Research grant N00014-03-1-0335. Acoustic analysis was done under grant N00014-14-1-0223/N00014-16-1-2372.
    Keywords: Intrusions ; Double-diffusive microstructure ; Ocean mixing ; Acoustic backscatter ; Echosounder ; South New England shelf
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  • 26
    Publication Date: 2022-05-25
    Description: This paper is not subject to U.S. copyright. The definitive version was published in Palaeogeography, Palaeoclimatology, Palaeoecology 451 (2016): 73-83, doi:10.1016/j.palaeo.2016.03.018.
    Description: Sea-level records from atolls, potentially spanning the Cenozoic, have been largely overlooked, in part because the processes that control atoll form (reef accretion, carbonate dissolution, sediment transport, vertical motion) are complex and, for many islands, unconstrained on million-year timescales. Here we combine existing observations of atoll morphology and corelog stratigraphy from Enewetak Atoll with a numerical model to (1) constrain the relative rates of subsidence, dissolution and sedimentation that have shaped modern Pacific atolls and (2) construct a record of sea level over the past 8.5 million years. Both the stratigraphy from Enewetak Atoll (constrained by a subsidence rate of ~ 20 m/Myr) and our numerical modeling results suggest that low sea levels (50–125 m below present), and presumably bi-polar glaciations, occurred throughout much of the late Miocene, preceding the warmer climate of the Pliocene, when sea level was higher than present. Carbonate dissolution through the subsequent sea-level fall that accompanied the onset of large glacial cycles in the late Pliocene, along with rapid highstand constructional reef growth, likely drove development of the rimmed atoll morphology we see today.
    Description: Support for this work was provided through a Jackson School Distinguished Postdoctoral Fellowship to Michael Toomey.
    Keywords: Reef ; Coral ; Dissolution ; Late Miocene ; Oxygen isotope stack
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  • 27
    Publication Date: 2022-05-25
    Description: © The Author(s), 2016. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Neurobiology of Aging 47 (2016): 113–126, doi:10.1016/j.neurobiolaging.2016.07.015.
    Description: Misfolded tau proteins are characteristic of tauopathies, but the isoform composition of tau inclusions varies by tauopathy. Using aggregates of the longest tau isoform (containing 4 microtubule-binding repeats and 4-repeat tau), we recently described a direct mechanism of toxicity that involves exposure of the N-terminal phosphatase-activating domain (PAD) in tau, which triggers a signaling pathway that disrupts axonal transport. However, the impact of aggregation on PAD exposure for other tau isoforms was unexplored. Here, results from immunochemical assays indicate that aggregation-induced increases in PAD exposure and oligomerization are common features among all tau isoforms. The extent of PAD exposure and oligomerization was larger for tau aggregates composed of 4-repeat isoforms compared with those made of 3-repeat isoforms. Most important, aggregates of all isoforms exhibited enough PAD exposure to significantly impair axonal transport in the squid axoplasm. We also show that PAD exposure and oligomerization represent common pathological characteristics in multiple tauopathies. Collectively, these results suggest a mechanism of toxicity common to each tau isoform that likely contributes to degeneration in different tauopathies.
    Description: This work was supported by NIH grants R01 AG044372 (Nicholas M. Kanaan), R01 NS082730 (Nicholas M. Kanaan and Scott T. Brady), BrightFocus Foundation (A2013364S, Nicholas M. Kanaan), the Jean P. Schultz Biomedical Research Endowment (Nicholas M. Kanaan), the Secchia Family Foundation (Nicholas M. Kanaan) and NS066942A (Gerardo Morfini).
    Keywords: Tauopathy ; Alzheimer's disease ; Oligomer ; Axon ; Aggregation ; Microtubule-associated protein ; Pathological conformations
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  • 28
    Publication Date: 2022-05-25
    Description: © The Author(s), 2015. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Marine Chemistry 177 (2015): 366–373, doi:10.1016/j.marchem.2015.06.012.
    Description: Metabolomics is the study of small molecules, or ‘metabolites’, that are the end products of biological processes. While -omics technologies such as genomics, transcriptomics, and proteomics measure the metabolic potential of organisms, metabolomics provides detailed information on the organic compounds produced during metabolism and found within cells and in the environment. Improvements in analytical techniques have expanded our understanding of metabolomics and developments in computational tools have made metabolomics data accessible to a broad segment of the scientific community. Yet, metabolomics methods have only been applied to a limited number of projects in the marine environment. Here, we review analysis techniques for mass spectrometry data and summarize the current state of metabolomics databases. We then describe a boutique database developed in our laboratory for efficient data analysis and selection of mass spectral targets for metabolite identification. The code to implement the database is freely available on GitHub (https://github.com/joefutrelle/domdb). Data organization and analysis are critical, but often under-appreciated, components of metabolomics research. Future advances in environmental metabolomics will take advantage of continued development of new tools that facilitate analysis of large metabolomics datasets.
    Description: The field data populating the database comes from scientific cruises funded by grants from the National Science Foundation to EBK and KL (Atlantic Ocean, OCE-1154320) and E.V. Armbrust (Pacific Ocean, OCE-1205233). The laboratory experiment with coastal seawater was funded by a grant from the Gulf of Mexico Research Initiative to EBK and H.K. White. The laboratory experiments with microbial isolates and the database development are funded by the Gordon and Betty Moore Foundation through Grant GBMF3304 to EBK.
    Keywords: Metabolomics ; Data analysis ; Database design
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  • 29
    Publication Date: 2022-05-25
    Description: This paper is not subject to U.S. copyright. The definitive version was published in Marine Geology 381 (2016): 42–53, doi:10.1016/j.margeo.2016.08.008.
    Description: Behavior of coastal systems on time scales ranging from single storm events to years and decades is controlled by both small-scale sediment transport processes and large-scale geologic, oceanographic, and morphologic processes. Improved understanding of coastal behavior at multiple time scales is required for refining models that predict potential erosion hazards and for coastal management planning and decision-making. Here we investigate the primary controls on shoreline response along a geologically-variable barrier island on time scales resolving extreme storms and decadal variations over a period of nearly one century. An empirical orthogonal function analysis is applied to a time series of shoreline positions at Fire Island, NY to identify patterns of shoreline variance along the length of the island. We establish that there are separable patterns of shoreline behavior that represent response to oceanographic forcing as well as patterns that are not explained by this forcing. The dominant shoreline behavior occurs over large length scales in the form of alternating episodes of shoreline retreat and advance, presumably in response to storms cycles. Two secondary responses include long-term response that is correlated to known geologic variations of the island and the other reflects geomorphic patterns with medium length scale. Our study also includes the response to Hurricane Sandy and a period of post-storm recovery. It was expected that the impacts from Hurricane Sandy would disrupt long-term trends and spatial patterns. We found that the response to Sandy at Fire Island is not notable or distinguishable from several other large storms of the prior decade.
    Description: Funding for this research was provided by the USGS Coastal and Marine Geology Program and the USGS Natural Resource Preservation Program.
    Keywords: Shoreline change ; Coastal evolution ; Storm response ; Empirical orthogonal function ; Fire Island
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  • 30
    Publication Date: 2022-05-25
    Description: This paper is not subject to U.S. copyright. The definitive version was published in Marine Geology 380 (2016): 284–289, doi:10.1016/j.margeo.2016.04.008.
    Description: Rivers have long been recognized for their ability to shape reef-bound volcanic islands. On the time-scale of glacial–interglacial sea-level cycles, fluvial incision of exposed barrier reef lagoons may compete with constructional coral growth to shape the coastal geomorphology of ocean islands. However, overprinting of Pleistocene landscapes by Holocene erosion or sedimentation has largely obscured the role lowstand river incision may have played in developing the deep lagoons typical of modern barrier reefs. Here we use high-resolution seismic imagery and core stratigraphy to examine how erosion and/or deposition by upland drainage networks has shaped coastal morphology on Tahaa, a barrier reef-bound island located along the Society Islands hotspot chain in French Polynesia. At Tahaa, we find that many channels, incised into the lagoon floor during Pleistocene sea-level lowstands, are located near the mouths of upstream terrestrial drainages. Steeper antecedent topography appears to have enhanced lowstand fluvial erosion along Tahaa's southwestern coast and maintained a deep pass. During highstands, upland drainages appear to contribute little sediment to refilling accommodation space in the lagoon. Rather, the flushing of fine carbonate sediment out of incised fluvial channels by storms and currents appears to have limited lagoonal infilling and further reinforced development of deep barrier reef lagoons during periods of highstand submersion.
    Description: This project was supported by a Jackson School Distinguished Postdoctoral Fellowship to Michael Toomey and the WHOI Coastal Ocean Institute and Ocean and Climate Change Institute.
    Keywords: Coral ; Island ; Lagoon ; Dissolution ; Morphology
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  • 31
    Publication Date: 2016-09-23
    Description: © The Author(s), 2016. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Geochimica et Cosmochimica Acta 179 (2016): 123-141, doi:10.1016/j.gca.2016.01.023.
    Description: The carbonate clumped isotope thermometer is a promising tool for determining past ocean temperatures. It is based on the temperature dependence of rare isotopes ‘clumping’ into the same carbonate ion group in the carbonate mineral lattice. The extent of this clumping effect is independent of the isotope composition of the water from which carbonate precipitates, providing unique advantages over many other paleotemperature proxies. Existing calibrations of this thermometer in cold-water and warm-water corals suggest clumped isotope ‘vital effects’ are negligible in cold-water corals but may be significant in warm-water corals. Here, we test the calibration of the carbonate clumped isotope thermometer in cold-water corals with a recently collected and well characterised sample set spanning a range of coral genera (Balanophyllia, Caryophyllia, Dasmosmilia, Desmophyllum, Enallopsammia and Javania). The clumped isotope compositions (Δ47) of these corals exhibit systematic dependences on their growth temperatures, confirming the basis of the carbonate clumped isotope thermometer. However, some cold-water coral genera show Δ47 values that are higher than the expected equilibrium values by up to 0.05‰ (equivalent to underestimating temperature by ∼9 °C) similar to previous findings for some warm-water corals. This finding suggests that the vital effects affecting corals Δ47 are common to both warm- and cold-water corals. By comparison with models of the coral calcification process we suggest that the clumped isotope offsets in these genera are related to the kinetic isotope effects associated with CO2 hydration/hydroxylation reactions in the corals’ calcifying fluid. Our findings complicate the use of the carbonate clumped isotope thermometer in corals, but suggest that species- or genus-specific calibrations could be useful for the future application of this paleotemperature proxy.
    Description: This work was supported by a British National Environment Research Council studentship to P. Spooner (NE/K500823/1), National Science Foundation Grant NSF-ANT-1246387 and The Penzance Endowed Fund in Support of Assistant Scientists (WHOI) to W. Guo, and by funds from the European Research Council, the Leverhulme Trust and a Marie Curie Reintegration grant.
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  • 32
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    Elsevier
    In:  EPIC3Global and Planetary Change, Elsevier, 146, pp. 10-21, ISSN: 09218181
    Publication Date: 2021-08-20
    Description: The impact of observed changes in air temperature and precipitation from 1969 to 2013 and climate projections for 2050 and 2080 at Ny-Ålesund, an arctic research station on Spitzbergen Island in the Svalbard Archipelago on snow hydrological processes, were analyzed using snow accumulation and ablation algorithms in the physically based Cold Regions HydrologicalModelling platform(CRHM). The climate projectionswere obtained from phase 5 of the Coupled Model Intercomparison Project (CMIP5), with a focus on the snow-dominated period (October to June). To identify the potential effects of increasing temperature and precipitation, a model sensitivity analysis (1 °C to 5 °C), with and without a 25% increase in precipitation, was run on CRHM snow processes. The results indicated that the greatest observed warming was during the early snow season (October–February), with increases of 0.8 and 0.9 °C decade−1 for maximum (Tmax) and minimum (Tmin) temperatures, respectively. Therewas also a significant increase in annual and winter precipitation (24mmdecade−1). The late snowseason (March–June) also had a marked increase in temperature (0.5 and 0.69 °C decade−1 for Tmax and Tmin respectively), but no significant change in precipitation. These changes lead to a significant increase in the number of dayswith rainfall rather than snowfall. The sensitivity analysis indicated that mean snowwater equivalent snowpack will decrease by 10.2% (early snow season) and 11.1% (late snow season) per degree of increased air temperature. For each degree of temperature increase, the modelled peak snow-water-equivalent (SWE) declined by 6.9%, duration of snowpack declined 11 days, and the number of days with rain increased 43% for the early snow season and 12.8% for the late snowseason. Awarmer climate also leads to markedly decreased surface snowsublimation and the fraction of snowfall eroded and transported by blowing snow. For most snowpack parameters analyzed, the response to warming accelerates with increased warming, especially above 3 °C. A 25% increase in precipitation partially counteracted the response to warming, with the greatest effect on peak SWE.
    Repository Name: EPIC Alfred Wegener Institut
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  • 33
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    Unknown
    Elsevier
    Publication Date: 2022-05-26
    Description: © The Author(s), 2016. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Studies in History and Philosophy of Science Part C: Studies in History and Philosophy of Biological and Biomedical Sciences 57 (2016): 129-136, doi:10.1016/j.shpsc.2016.02.003.
    Description: Embryos have different meanings for different people and in different contexts. Seen under the microscope, the biological embryo starts out as one cell and then becomes a bunch of cells. Gradually these divide and differentiate to make up the embryo, which in humans becomes a fetus at eight weeks, and then eventually a baby. At least, that happens in those cases that carry through normally and successfully. Yet a popular public perception imagines the embryo as already a little person in the very earliest stages of development, as if it were predictably to become an adult. In actuality, cells can combine, pull apart, and recombine in a variety of ways and still produce embryos, whereas most embryos never develop into adults at all. Biological embryos and popular imaginations of embryos diverge. This paper looks at some of the historical reasons for and social implications of that divergence.
    Description: Thanks to the National Science Foundation for support through a series of grants.
    Keywords: Embryos ; Microscopes ; Science and society ; Bioethics ; Science policy
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  • 34
    Publication Date: 2022-05-26
    Description: © The Author(s), 2016. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Biochemical Pharmacology 110-111 (2016): 117-129, doi:10.1016/j.bcp.2016.04.012.
    Description: 6-Formylindolo[3,2-b]carbazole (FICZ) is a potent aryl hydrocarbon receptor (AHR) agonist that is efficiently metabolized by AHR-regulated cytochrome P4501 enzymes. FICZ is a proposed physiological AHR ligand that induces its own degradation as part of a regulatory negative feedback loop. In vitro studies in cells show that CYP1 inhibition in the presence of FICZ results in enhanced AHR activation, suggesting that FICZ accumulates in the cell when its metabolism is blocked. We used zebrafish (Danio rerio) embryos to investigate the in vivo effects of FICZ when CYP1A is knocked down or inhibited. Embryos were injected with morpholino antisense oligonucleotides targeting CYP1A (CYP1A-MO), Ahr2, or a combination of both. FICZ exposure of non-injected embryos or embryos injected with control morpholino had little effect. In CYP1A-MO-injected embryos, however, FICZ dramatically increased mortality, incidence and severity of pericardial edema and circulation failure, reduced hatching frequency, blocked swim bladder inflation, and strongly potentiated expression of Ahr2-regulated genes. These effects were substantially reduced in embryos with a combined knockdown of Ahr2 and CYP1A, indicating that the toxicity was mediated at least partly by Ahr2. Co-exposure to the CYP1 inhibitor alpha-naphthoflavone (αNF) and FICZ had similar effects as the combination of CYP1A-MO and FICZ. HPLC analysis of FICZ-exposed embryos showed increased levels of FICZ after concomitant CYP1A-MO injection or αNF co-exposure. Together, these results show that a functioning CYP1/AHR feedback loop is crucial for regulation of AHR signaling by a potential physiological ligand in vivo and further highlights the role of CYP1 enzymes in regulating biological effects of FICZ.
    Description: This work was supported by Swedish Research Council Formas grants 2011-963 (EW) and 2008-1249 (MJ), by a European Commission Horizon 2020 grant, Project ID 634880 (MJ), by a National Institute of Environmental Health Sciences (NIEHS) grant P42ES007381 (JJS and MEH), R01ES006272 (MEH) and F32ES017585 (ART-L), by Japan Society for the Promotion of Science Postdoctoral Fellowship for Research Abroad194313 (AK), by Grant-in-Aids for Research Activity Start-up26881001 (AK) and for Young Scientists (A)15H05334 (AK).
    Keywords: Aryl hydrocarbon receptor ; Cytochrome P4501 ; 6-Formylindolo[3,2-b]carbazole ; Enzyme inhibition ; Zebrafish embryo toxicity ; Synergistic receptor activation
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  • 35
    Publication Date: 2022-05-26
    Description: © The Author(s), 2016. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Protist 167 (2016): 106–120, doi:10.1016/j.protis.2016.01.003.
    Description: Arranging organisms into functional groups aids ecological research by grouping organisms (irrespective of phylogenetic origin) that interact with environmental factors in similar ways. Planktonic protists traditionally have been split between photoautotrophic “phytoplankton” and phagotrophic “microzooplankton”. However, there is a growing recognition of the importance of mixotrophy in euphotic aquatic systems, where many protists often combine photoautotrophic and phagotrophic modes of nutrition. Such organisms do not align with the traditional dichotomy of phytoplankton and microzooplankton. To reflect this understanding, we propose a new functional grouping of planktonic protists in an eco-physiological context: (i) phagoheterotrophs lacking phototrophic capacity, (ii) photoautotrophs lacking phagotrophic capacity, (iii) constitutive mixotrophs (CMs) as phagotrophs with an inherent capacity for phototrophy, and (iv) non-constitutive mixotrophs (NCMs) that acquire their phototrophic capacity by ingesting specific (SNCM) or general non-specific (GNCM) prey. For the first time, we incorporate these functional groups within a foodweb structure and show, using model outputs, that there is scope for significant changes in trophic dynamics depending on the protist functional type description. Accordingly, to better reflect the role of mixotrophy, we recommend that as important tools for explanatory and predictive research, aquatic food-web and biogeochemical models need to redefine the protist groups within their frameworks.
    Description: This work was funded by grants to KJF and AM from the Leverhulme Trust (International Network Grant F00391 V) and NERC (UK) through its iMARNET programme NE/K001345/1.
    Keywords: Plankton functional types (PFTs) ; Phagotroph ; Phototroph ; Mixotroph ; Phytoplankton ; Microzooplankton
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  • 36
    Publication Date: 2022-05-26
    Description: © The Author(s), 2015. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Marine Chemistry 177 (2015): 1-8, doi:10.1016/j.marchem.2015.04.005.
    Description: The GEOTRACES Intermediate Data Product 2014 (IDP2014) is the first publicly available data product of the international GEOTRACES programme, and contains data measured and quality controlled before the end of 2013. It consists of two parts: (1) a compilation of digital data for more than 200 trace elements and isotopes (TEIs) as well as classical hydrographic parameters, and (2) the eGEOTRACES Electronic Atlas providing a strongly inter-linked on-line atlas including more than 300 section plots and 90 animated 3D scenes. The IDP2014 covers the Atlantic, Arctic, and Indian oceans, exhibiting highest data density in the Atlantic. The TEI data in the IDP2014 are quality controlled by careful assessment of intercalibration results and multi-laboratory data comparisons at cross-over stations. The digital data are provided in several formats, including ASCII spreadsheet, Excel spreadsheet, netCDF, and Ocean Data View collection. In addition to the actual data values the IDP2014 also contains data quality flags and 1-σ data error values where available. Quality flags and error values are useful for data filtering. Metadata about data originators, analytical methods and original publications related to the data are linked to the data in an easily accessible way. The eGEOTRACES Electronic Atlas is the visual representation of the IDP2014 data providing section plots and a new kind of animated 3D scenes. The basin-wide 3D scenes allow for viewing of data from many cruises at the same time, thereby providing quick overviews of large-scale tracer distributions. In addition, the 3D scenes provide geographical and bathymetric context that is crucial for the interpretation and assessment of observed tracer plumes, as well as for making inferences about controlling processes.
    Description: We gratefully acknowledge financial support by the Scientific Committee on Oceanic Research (SCOR) through grants from the U.S. National Science Foundation, including grants OCE-0608600, OCE-0938349, and OCE-1243377. Financial support was also provided by the UK Natural Environment Research Council, the Ministry of Earth Science of India, the Centre National de Recherche Scientifique, l'Université Paul Sabatier de Toulouse, the Observatoire Midi-Pyrénées Toulouse, the Universitat Autònoma de Barcelona, the Kiel Excellence Cluster The Future Ocean, the Swedish Museum of Natural History, The University of Tokyo, The University of British Columbia, The Royal Netherlands Institute for Sea Research, the GEOMAR-Helmholtz Centre for Ocean Research Kiel, and the Alfred Wegener Institute.
    Keywords: GEOTRACES ; Trace elements ; Isotopes ; Electronic atlas
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  • 37
    Publication Date: 2022-05-26
    Description: This paper is not subject to U.S. copyright. The definitive version was published in Journal of Volcanology and Geothermal Research 314 (2016): 142-155, doi:10.1016/j.jvolgeores.2015.07.037.
    Description: Autonomous underwater vehicles were used to conduct a high-resolution water column survey of Lake Rotomahana using temperature, pH, turbidity, and oxidation–reduction potential (ORP) to identify active hydrothermal discharge zones within the lake. Five areas with active sublacustrine venting were identified: (1) the area of the historic Pink Terraces; (2) adjacent to the western shoreline subaerial “Steaming Cliffs,” boiling springs and geyser; (3) along the northern shoreline to the east of the Pink Terrace site; (4) the newly discovered Patiti hydrothermal system along the south margin of the 1886 Tarawera eruption rift zone; and (5) a location in the east basin (northeast of Patiti Island). The Pink Terrace hydrothermal system was active prior to the 1886 eruption of Mount Tarawera, but venting along the western shoreline, in the east basin, and the Patiti hydrothermal system appear to have been initiated in the aftermath of the eruption, similar to Waimangu Valley to the southwest. Different combinations of turbidity, pH anomalies (both positive and negative), and ORP responses suggest vent fluid compositions vary over short distances within the lake. The seasonal period of stratification limits vertical transport of heat to the surface layer and the hypolimnion temperature of Lake Rotomahana consequently increases with an average warming rate of ~ 0.010 °C/day due to both convective hydrothermal discharge and conductive geothermal heating. A sudden temperature increase occurred during our 2011 survey and was likely the response to an earthquake swarm just 11 days prior.
    Description: Funding was provided by GNS Strategic Development Fund.
    Keywords: Lake Rotomahana ; Hydrothermal venting ; pH ; Turbidity ; Oxidation–reduction potential ; Freshwater lakes
    Repository Name: Woods Hole Open Access Server
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  • 38
    Publication Date: 2022-05-26
    Description: © The Author(s), 2016. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Geochimica et Cosmochimica Acta 176 (2016): 227–238, doi:10.1016/j.gca.2015.12.027.
    Description: Measurements of Xe isotope ratios in ocean island basalts (OIB) suggest that Earth’s mantle accreted heterogeneously, and that compositional remnants of accretion are sampled by modern, high-3He/4He OIB associated with the Icelandic and Samoan plumes. If so, the high-3He/4He source may also have a distinct oxygen isotopic composition from the rest of the mantle. Here, we test if the major elements of the high-3He/4He source preserve any evidence of heterogeneous accretion using measurements of three oxygen isotopes on olivine from a variety of high-3He/4He OIB locations. To high precision, the Δ17O value of high-3He/4He olivines from Hawaii, Pitcairn, Baffin Island and Samoa, are indistinguishable from bulk mantle olivine (Δ17OBulk Mantle − Δ17OHigh 3He/4He olivine = −0.002 ± 0.004 (2 × SEM)‰). Thus, there is no resolvable oxygen isotope evidence for heterogeneous accretion in the high-3He/4He source. Modelling of mixing processes indicates that if an early-forming, oxygen-isotope distinct mantle did exist, either the anomaly was extremely small, or the anomaly was homogenised away by later mantle convection. The δ18O values of olivine with the highest 3He/4He ratios from a variety of OIB locations have a relatively uniform composition (∼5‰). This composition is intermediate to values associated with the depleted MORB mantle and the average mantle. Similarly, δ18O values of olivine from high-3He/4He OIB correlate with radiogenic isotope ratios of He, Sr, and Nd. Combined, this suggests that magmatic oxygen is sourced from the same mantle as other, more incompatible elements and that the intermediate δ18O value is a feature of the high-3He/4He mantle source. The processes responsible for the δ18O signature of high-3He/4He mantle are not certain, but δ18O–87Sr/86Sr correlations indicate that it may be connected to a predominance of a HIMU-like (high U/Pb) component or other moderate δ18O components recycled into the high-3He/4He source.
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  • 39
    Publication Date: 2022-05-26
    Description: © The Author(s), 2016. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Ocean Modelling 105 (2016): 1-12, doi:10.1016/j.ocemod.2016.02.009
    Description: The sea state of the Beaufort and Chukchi seas is controlled by the wind forcing and the amount of ice-free water available to generate surface waves. Clear trends in the annual duration of the open water season and in the extent of the seasonal sea ice minimum suggest that the sea state should be increasing, independent of changes in the wind forcing. Wave model hindcasts from four selected years spanning recent conditions are consistent with this expectation. In particular, larger waves are more common in years with less summer sea ice and/or a longer open water season, and peak wave periods are generally longer. The increase in wave energy may affect both the coastal zones and the remaining summer ice pack, as well as delay the autumn ice-edge advance. However, trends in the amount of wave energy impinging on the ice-edge are inconclusive, and the associated processes, especially in the autumn period of new ice formation, have yet to be well-described by in situ observations. There is an implicit trend and evidence for increasing wave energy along the coast of northern Alaska, and this coastal signal is corroborated by satellite altimeter estimates of wave energy.
    Description: This work was supported by the Office of Naval Research, Code 322, “Arctic and Global Prediction”, directed by Drs. Martin Jeffries and Scott Harper. (Grant numbers and Principal Investigators are: Ackley, N000141310435; Babanin, N000141310278; Doble, N000141310290; Fairall, N0001413IP20046; Gemmrich, N000141310280; Girard-Ardhuin and Ardhuin, N000141612376; Graber, N000141310288; Guest, N0001413WX20830; Holt, N0001413IP20050; Lehner, N000141310303; Maksym, N000141310446; Perrie, N00014-15-1-2611; Rogers, N0001413WX20825; Shen, N000141310294; Squire, N000141310279; Stammerjohn, N000141310434; Thomson, N000141310284; Wadhams, N000141310289.)
    Keywords: Sea ice ; Arctic Ocean ; Ocean surface waves
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  • 40
    Publication Date: 2022-05-26
    Description: © The Author(s), 2016. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Geochimica et Cosmochimica Acta 179 (2016): 123-141, doi:10.1016/j.gca.2016.01.023.
    Description: The carbonate clumped isotope thermometer is a promising tool for determining past ocean temperatures. It is based on the temperature dependence of rare isotopes ‘clumping’ into the same carbonate ion group in the carbonate mineral lattice. The extent of this clumping effect is independent of the isotope composition of the water from which carbonate precipitates, providing unique advantages over many other paleotemperature proxies. Existing calibrations of this thermometer in cold-water and warm-water corals suggest clumped isotope ‘vital effects’ are negligible in cold-water corals but may be significant in warm-water corals. Here, we test the calibration of the carbonate clumped isotope thermometer in cold-water corals with a recently collected and well characterised sample set spanning a range of coral genera (Balanophyllia, Caryophyllia, Dasmosmilia, Desmophyllum, Enallopsammia and Javania). The clumped isotope compositions (Δ47) of these corals exhibit systematic dependences on their growth temperatures, confirming the basis of the carbonate clumped isotope thermometer. However, some cold-water coral genera show Δ47 values that are higher than the expected equilibrium values by up to 0.05‰ (equivalent to underestimating temperature by ∼9 °C) similar to previous findings for some warm-water corals. This finding suggests that the vital effects affecting corals Δ47 are common to both warm- and cold-water corals. By comparison with models of the coral calcification process we suggest that the clumped isotope offsets in these genera are related to the kinetic isotope effects associated with CO2 hydration/hydroxylation reactions in the corals’ calcifying fluid. Our findings complicate the use of the carbonate clumped isotope thermometer in corals, but suggest that species- or genus-specific calibrations could be useful for the future application of this paleotemperature proxy.
    Description: This work was supported by a British National Environment Research Council studentship to P. Spooner (NE/K500823/1), National Science Foundation Grant NSF-ANT-1246387 and The Penzance Endowed Fund in Support of Assistant Scientists (WHOI) to W. Guo, and by funds from the European Research Council, the Leverhulme Trust and a Marie Curie Reintegration grant.
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  • 41
    Publication Date: 2022-05-26
    Description: This paper is not subject to U.S. copyright. The definitive version was published in Earth and Planetary Science Letters 449 (2016): 332–344, doi:10.1016/j.epsl.2016.05.023.
    Description: The recent discovery of active methane venting along the US northern and mid-Atlantic margin represents a new source of global methane not previously accounted for in carbon budgets from this region. However, uncertainty remains as to the origin and history of methane seepage along this tectonically inactive passive margin. Here we present the first isotopic analyses of authigenic carbonates and methanotrophic deep-sea mussels, Bathymodiolus sp., and the first direct constraints on the timing of past methane emission, based on samples collected at the upper slope Baltimore Canyon (∼385 m water depth) and deepwater Norfolk (∼1600 m) seep fields within the area of newly-discovered venting. The authigenic carbonates at both sites were dominated by aragonite, with an average View the MathML sourceδC13 signature of −47‰−47‰, a value consistent with microbially driven anaerobic oxidation of methane-rich fluids occurring at or near the sediment–water interface. Authigenic carbonate U and Sr isotope data further support the inference of carbonate precipitation from seawater-derived fluids rather than from formation fluids from deep aquifers. Carbonate stable and radiocarbon (View the MathML sourceδC13 and View the MathML sourceΔC13) isotope values from living Bathymodiolus sp. specimens are lighter than those of seawater dissolved inorganic carbon, highlighting the influence of fossil carbon from methane on carbonate precipitation. U–Th dates on authigenic carbonates suggest seepage at Baltimore Canyon between 14.7±0.6 ka14.7±0.6 ka to 15.7±1.6 ka15.7±1.6 ka, and at the Norfolk seep field between 1.0±0.7 ka1.0±0.7 ka to 3.3±1.3 ka3.3±1.3 ka, providing constraint on the longevity of methane efflux at these sites. The age of the brecciated authigenic carbonates and the occurrence of pockmarks at the Baltimore Canyon upper slope could suggest a link between sediment delivery during Pleistocene sea-level lowstand, accumulation of pore fluid overpressure from sediment compaction, and release of overpressure through subsequent venting. Calculations show that the Baltimore Canyon site probably has not been within the gas hydrate stability zone (GHSZ) in the past 20 ka, meaning that in-situ release of methane from dissociating gas hydrate cannot be sustaining the seep. We cannot rule out updip migration of methane from dissociation of gas hydrate that occurs farther down the slope as a source of the venting at Baltimore Canyon, but consider that the history of rapid sediment accumulation and overpressure may play a more important role in methane emissions at this site.
    Description: Funding for this project (sponsored by the National Oceanographic Partnership Program) included USGS Terrestrial, Freshwater, and Marine Environments Program through the Outer Continental shelf study, Coastal and Marine Geology Program, and the Bureau of Ocean Energy Management (BOEM) contract number M10PC00100 (contracted to CSA Ocean Sciences, Inc.). C.R. was supported by USGS–DOE Interagency Agreements DE-FE000291 and 0023495.
    Keywords: Authigenic carbonate ; Cold seep ; AOM ; Chemosynthesis ; Mid-Atlantic margin ; Isotope geochemistry
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  • 42
    Publication Date: 2022-05-26
    Description: © The Author(s), 2016. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Earth and Planetary Science Letters 449 (2016): 372-381, doi:10.1016/j.epsl.2016.05.016.
    Description: Although boron and uranium to calcium ratios (B/Ca, U/Ca) in planktonic foraminifera have recently received much attention as potential proxies for ocean carbonate chemistry, the extent of a carbonate chemistry control on these ratios remains contentious. Here, we use bi-weekly sediment trap samples collected from the subtropical North Atlantic in combination with measured oceanographic data from the same location to evaluate the dominant oceanographic controls on B/Ca and U/Ca in three depth-stratified species of planktonic foraminifera. We also test the control of biological, growth-related, processes on planktonic foraminiferal B and U incorporation by using foraminifer test area density (μg/μm2)(μg/μm2) (a monitor of test thickness) and test size from the same samples. B/Ca and U/Ca show little or no significant correlation with carbonate system parameters both within this study and in comparison with other published works. We provide the first evidence for a strong positive relationship between area density (test thickness) and B/Ca, and reveal that this is consistent in all species studied, suggesting a likely role for calcification in controlling boron partitioning into foraminiferal calcite. This finding is consistent with previous observations of less efficient discrimination against trace element ‘impurities’ (such as B), at higher calcification rates. We observe little or no dependency of B/Ca on test size. In marked contrast, we find that U/Ca displays a strong species-specific dependency on test size in all species, but no relationship with test thickness, implicating some other biological control (possibly related to growth), rather than a calcification control, on U incorporation into foraminiferal calcite. Our results caution against the use of B/Ca and U/Ca in planktonic foraminifera as reliable proxies for the ocean carbonate system and recommend that future work should concentrate on improving the mechanistic understanding of how planktonic foraminifer calcification and growth rates regulate boron and uranium incorporation into the test.
    Description: This research was funded through the U.K. Ocean Acidification Research Program by Natural Environment Research Council grant to P. Anand and P. Sexton (grant NE/I019891/1). K.S. thanks the Cushman Foundation for their financial support through the Johanna Resig Foraminifera Fellowship. We acknowledge the National Science Foundation for its support of the Oceanic Flux Program time-series (most recently by grant OCE-1234292) and the Bermuda Atlantic Time Series (most recently by grant OCE-0801991).
    Keywords: Planktonic foraminifera ; Boron ; Uranium ; Proxy ; Sediment trap
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  • 43
    Publication Date: 2016-07-12
    Description: We present experimental results obtained under normal gravity on the dynamics of solid particles in periodic oscillatory thermocapillary-driven flows in a non-isothermal liquid bridge made of decane. Inertial particles of different densities and in the size range approximately 0.75 − 75 μ m are able to form stable coherent structures (particle accumulation structures, or PASs). Two image processing techniques were developed and successfully applied to compute time required for an ensemble of particles to form a structure. It is shown that the formation time grows with the decrease of the Stokes number. The observations indicate the probable irrelevance of the memory term for these experiments. Two types of PAS were observed—single (SL-I) and double-loop (SL-II)—which sometimes co-existed. Only large or very dense particles may form an SL-II type structure. A number of novel features of the system were perceived. In some cases, intermittently stable structures emerged (their dynamics is characterized by alternating time intervals during which a structure exists and is destroyed). Whereas in most experiments we observed a conventional symmetric and centered PAS, there were cases when a long-term stable asymmetric structure appeared. Experiments wherein two different types of PAS-forming particles were used simultaneously revealed the destructive role of collisions between the particles on formation of structures.
    Print ISSN: 1054-1500
    Electronic ISSN: 1089-7682
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  • 44
    Publication Date: 2016-07-12
    Description: A three-dimensional model is presented to investigate helium plasma generated by microwave under atmospheric pressure in this paper, which includes the physical processes of electromagnetic wave propagation, electron and heavy species transport, gas flow, and heat transfer. The model is based on the fluid approximation calculation and local thermodynamic equilibrium assumption. The simulation results demonstrate that the maxima of the electron density and gas temperature are 4.79 × 10 17  m −3 and 1667 K, respectively, for the operating conditions with microwave power of 500 W, gas flow rate of 20 l/min, and initial gas temperature of 500 K. The electromagnetic field distribution in the plasma source is obtained by solving Helmholtz equation. Electric field strength of 2.97 × 10 4  V/m is obtained. There is a broad variation on microwave power, gas flow rate, and initial gas temperature to obtain deeper information about the changes of the electron density and gas temperature.
    Print ISSN: 1070-664X
    Electronic ISSN: 1089-7674
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  • 45
    Publication Date: 2016-07-12
    Description: The paper analyzes the dielectric breakdown properties of N 2 –O 2 mixtures at different O 2 concentrations and gas pressures, taking into account electron detachments from negative ions. The reduced effective ionization coefficients α(eff)/N in N 2 –O 2 mixtures at different O 2 concentrations and gas pressures were calculated and analyzed, by considering electron detachments. The critical reduced electric fields (E/N) cr and the critical electron temperature T b were then determined. The result indicates a clear enhancement of α(eff)/N by collisional detachments, which causes a reduction in the (E/N) cr . In addition, a synergistic effect in the N 2 –O 2 mixture was also observed in both (E/N) cr and T b . The value of T b was decreased by the increase of pd product, however, T b tended to be constant at relatively high pd products.
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  • 46
    Publication Date: 2016-07-11
    Description: Publication date: Available online 9 July 2016 Source: Geodesy and Geodynamics Author(s): Ruisha Li, Xi Zhang, Shouwen Gong, Hongtao Tang, Peng Jia The equation for determining cross-fault representative value is calculated based on hanging wall and foot wall reference level surfaces. The cross-fault data reliability are analyzed base on the stability of reference datum and observation points, thereby facilitating plotting of the representative value curves after removing interference. The spatial and temporal characteristics of fault deformation abnormalities before the 2016 Menyuan M s6.4 earthquake, as well as the fault-movement characteristics reflected by representative value, are summarized. The results show that many site trends had changed 1–3 years before the Menyuan M s6.4 earthquake in the Qilian Fault, reflecting certain background abnormalities. The short-term abnormalities centrally had appeared in the 6 months to 1 year period before the earthquake near and in the neighborhood of the source region, demonstrating a significantly increased number of short-term abnormalities. Many sites near and in the neighborhood of the source region had strengthened inverse activities or had changed from positive to inverse activities in the most recent 2–3 years, which reflect stress-field enhancements or adjustment features.
    Print ISSN: 1674-9847
    Topics: Architecture, Civil Engineering, Surveying , Geosciences
    Published by Elsevier
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  • 47
    Publication Date: 2016-07-13
    Description: In semiconductors almost all heat is conducted by phonons (lattice vibrations), which is limited by their quasi-particle lifetimes. Phonon-phonon interactions represent scattering mechanisms that produce thermal resistance. In thermoelectric materials, this resistance due to anharmonicity should be maximised for optimal performance. We use a first-principles lattice-dynamics approach to explore the changes in lattice dynamics across an isostructural series where the average atomic mass is conserved: ZnS to CuGaS 2 to Cu 2 ZnGeS 4 . Our results demonstrate an enhancement of phonon interactions in the multernary materials and confirm that lattice thermal conductivity can be controlled independently of the average mass and local coordination environments.
    Electronic ISSN: 2166-532X
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
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  • 48
    Publication Date: 2016-07-13
    Description: In this contribution, we present a highly accurate approach for thickness measurements of multi-layered automotive paints using terahertz time domain spectroscopy in reflection geometry. The proposed method combines the benefits of a model-based material parameters extraction method to calibrate the paint coatings, a generalized Rouard's method to simulate the terahertz radiation behavior within arbitrary thin films, and the robustness of a powerful evolutionary optimization algorithm to increase the sensitivity of the minimum thickness measurement limit. Within the framework of this work, a self-calibration model is introduced, which takes into consideration the real industrial challenges such as the effect of wet-on-wet spray in the painting process.
    Print ISSN: 0003-6951
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  • 49
    Publication Date: 2016-07-13
    Description: Based on electromagnetic scattering theory, a model of superscatterer enhanced distant wireless power transfer (WPT) device has designed and analyzed with the concept of transformation optics. The numerical results obtained through a series expansion method reveal that a properly designed ss-WPT has high efficiency for long transfer distances as well as a wide transfer range. The transfer distance can be further enlarged by fine tuning of the design. These effects can be explained qualitatively through the study of magnetic flux.
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  • 50
    Publication Date: 2016-07-13
    Description: In this work, we report enhanced power conversion efficiency (PCE) of bulk heterojunction polymer solar cells by Förster resonance energy transfer (FRET) from samarium-doped luminescent gadolinium orthovanadate (GdVO 4 :Sm 3+ ) quantum dots (QDs) to polythieno[3,4-b]-thiophene-co-benzodithiophene (PTB7) polymer. The photoluminescence emission spectrum of GdVO 4 :Sm 3+ QDs overlaps with the absorption spectrum of PTB7, leading to FRET from GdVO 4 :Sm 3+ to PTB7, and significant enhancements in the charge-carrier density of excited and polaronic states of PTB7 are observed. This was confirmed by means of femtosecond transient absorption spectroscopy. The FRET from GdVO 4 :Sm 3+ QDs to PTB7 led to a remarkable increase in the power conversion efficiency (PCE) of PTB7:GdVO 4 :Sm 3+ :PC 71 BM ([6,6]-phenyl-C 71 -butyric acid methyl ester) polymer solar cells. The PCE in optimized ternary blend PTB7:GdVO 4 :Sm 3+ :PC 71 BM (1:0.1:1.5) is increased to 8.8% from 7.2% in PTB7:PC 71 BM. This work demonstrates the potential of rare-earth based luminescent QDs in enhancing the PCE of polymer solar cells.
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  • 51
    Publication Date: 2016-07-13
    Description: We fabricate planar graphene field-effect transistors with self-aligned side-gate at 100 nm from the 500 nm wide graphene conductive channel, using a single lithographic step. We demonstrate side-gating below 1 V with conductance modulation of 35% and transconductance up to 0.5 mS/mm at 10 mV drain bias. We measure the planar leakage along the SiO 2 /vacuum gate dielectric over a wide voltage range, reporting rapidly growing current above 15 V. We unveil the microscopic mechanisms driving the leakage, as Frenkel-Poole transport through SiO 2 up to the activation of Fowler-Nordheim tunneling in vacuum, which becomes dominant at higher voltages. We report a field-emission current density as high as 1  μ A/ μ m between graphene flakes. These findings are important for the miniaturization of atomically thin devices.
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  • 52
    Publication Date: 2016-07-13
    Description: The nanoscale resistive switching in hafnium oxide stack is investigated by the conductive atomic force microscopy (C-AFM). The initial oxide stack is insulating and electrical stress from the C-AFM tip induces nanometric conductive filaments. Multimode resistive switching can be observed in consecutive operation cycles at one spot. The different modes are interpreted in the framework of a low defect quantum point contact theory. The model implies that the optimization of the conductive filament active region is crucial for the future application of nanoscale resistive switching devices.
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  • 53
    Publication Date: 2016-07-13
    Description: We report on the fabrication and characterization of a Schottky diode made using 2D germanane (hydrogenated germanene). When compared to germanium, the 2D structure has higher electron mobility, an optimal band-gap, and exceptional stability making germanane an outstanding candidate for a variety of opto-electronic devices. One-atom-thick sheets of hydrogenated puckered germanium atoms have been synthesized from a CaGe 2 framework via intercalation and characterized by XRD, Raman, and FTIR techniques. The material was then used to fabricate Schottky diodes by suspending the germanane in benzonitrile and drop-casting it onto interdigitated metal electrodes. The devices demonstrate significant rectifying behavior and the outstanding potential of this material.
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  • 54
    Publication Date: 2016-07-13
    Description: High-performance pentacene-based organic field-effect transistor nonvolatile memories, using polystyrene as a tunneling dielectric and Au nanoparticles as a nano-floating-gate, show parallelogram-like transfer characteristics with a featured transition point. The transition voltage at the transition point corresponds to a threshold electric field in the tunneling dielectric, over which stored electrons in the nano-floating-gate will start to leak out. The transition voltage can be modulated depending on the bias configuration and device structure. For p-type active layers, optimized transition voltage should be on the negative side of but close to the reading voltage, which can simultaneously achieve a high ON/OFF ratio and good memory retention.
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  • 55
    Publication Date: 2016-07-13
    Description: Ion implantation of Zn substituting elements in ZnO has been shown to result in a dramatic Li depletion of several microns in hydrothermally grown ZnO. This has been ascribed to a burst of mobile Zn interstials. In this study, we seek to understand the reason behind this interstitial mediated transient enhanced diffusion in Li-containing ZnO samples after Zn implantation. ZnO wafers were implanted with Zn to two doses, 5 × 10 15  cm −2 and 1 × 10 17  cm −2 . Secondary ion mass spectrometry was carried out to profile the Li depletion depth for different annealing temperatures between 600 and 800 °C. The 800 °C annealing had the most significant Li depletion of close to 60  μ m. Transmission electron microscopy (TEM) was carried out in selected samples to identify the reason behind the Li depletion. In particular, TEM investigations of samples annealed at 750 °C show significant Zn precipitation just below the depth of the projected range of the implanted ions. We propose that the Zn precipitation is indicative of Zn supersaturation. Both the Li depletion and Zn precipitation are competing synchronous processes aimed at reducing the excess Zn interstitials.
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  • 56
    Publication Date: 2016-07-13
    Description: In this letter, we investigate the origin of the spatial inhomogeneity of the photoluminescence (PL) intensity maps obtained on thin-film solar cells. Based on a hyperspectral imager setup, we record an absolute map of the quasi-Fermi level splitting Δμ by applying the generalized Planck's law. Then, using scanning confocal microscopy, we perform spatially and time-resolved photoluminescence measurements. This allowed us to quantify and map the micrometric fluctuations of the trapping defect density within these solar cells. Finally, we demonstrate the existence of a direct correlation between the spatial fluctuations of the quasi-Fermi level splitting and the trapping defect density. The latter was found to be correlated with the frequently reported spatially inhomogeneous PL maps of thin-film solar cells. Based on the observed correlation, we can quantify the local losses in quasi-Fermi level splitting induced by the spatial distribution of the trapping defects.
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  • 57
    Publication Date: 2016-07-13
    Description: Nonlinear ultrasonic Lamb waves are popular to characterize the nonlinearity of materials. However, the widely used nonlinear Lamb mode suffers from two associated complications: inherent dispersive and multimode natures. To overcome these, the symmetric Lamb mode (S0) at low frequency region is explored. At the low frequency region, the S0 mode is little dispersive and easy to generate. However, the secondary mode still exists, and increases linearly for significant distance. Numerical simulations and experiments are used to validate the nonlinear features and therefore demonstrate an easy alternative for nonlinear Lamb wave applications.
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  • 58
    Publication Date: 2016-07-13
    Description: Dynamic deposition of silicon nitrides using in-line plasma enhanced chemical vapor deposition systems results in non-uniform structure of the dielectric layer. Appropriate analysis of such layers requires the optical characterization to be performed as a function of the layer's depth. This work presents a method to characterize dynamically deposited silicon nitride layers. The method is based on the fitting of experimental spectroscopic ellipsometry data via grading of Tauc–Lorentz optical parameters through the depth of the layer. When compared with the standard Tauc–Lorentz fitting procedure, used in previous studies, the improved method is demonstrating better quality fits to the experimental data and revealing more accurate optical properties of the dielectric layers. The most significant advantage of the method is the ability to extract the depth profile of the optical properties along the direction of the layer normal. This is enabling a better understanding of layers deposited using dynamic plasma enhanced chemical vapor deposition systems frequently used in the photovoltaic industry.
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  • 59
    Publication Date: 2016-07-13
    Description: The 120-nm-thick cobalt-doped ZnO (Co-doped ZnO, CZO) dilute magnetic films deposited by pulsed laser deposition were employed as the n-electrodes for both lateral-type blue (450 nm) and green (520 nm) InGaN light emitters. In comparison to the conventional blue and green emitters, there were 15.9% and 17.7% enhancements in the output power (@350 mA) after fabricating the CZO n-electrode on the n-GaN layer. Observations on the role of CZO n-electrodes in efficiency improvement of InGaN light emitters were performed. Based on the results of Hall measurements, the carrier mobilities were 176 and 141 cm 2 /V s when the electrons passed through the n-GaN and the patterned-CZO/n-GaN, respectively. By incorporating the CZO n-electrode into the InGaN light emitters, the electrons would be scattered because of the collisions between the magnetic atoms and the electrons as the device is driven, leading to the reduction of the electron mobility. Therefore, the excessively large mobility difference between electron and hole carriers occurred in the conventional InGaN light emitter can be efficiently decreased after preparing the CZO n-electrode on the n-GaN layer, resulting in the increment of carrier recombination rate and the improvement of light output power.
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  • 60
    Publication Date: 2016-07-13
    Description: A glassy dilute glycerol-water solution undergoes a mutual polyamorphic transition relating to the transition between high- and low-density amorphous ices of solvent water. The polyamorphic transition behavior depends on the glycerol concentration, indicating that the glycerol affects the water polyamorphism. Here, we used the glassy dilute glycerol-water solution of the solute molar fraction of 0.07 and examined the effect of the polyamorphic change in solvent water on the molecular vibrations of glycerol via Raman spectroscopy. It is found that the molecular vibration of glycerol in high-density liquid like solvent water is different from that in the low-density liquid like solvent water and that the change in the molecular vibration of glycerol is synchronized with the polyamorphic transition of solvent water. The dynamical change of the solute molecule relates to the polyamorphic state of solvent water. This result suggests that the polyamorphic fluctuation of water structure emanated from the presumed liquid-liquid critical point plays an important role for the function of aqueous solution under an ambient condition such as the conformational stability of solute, the functional expression of solute, and so on.
    Print ISSN: 0021-9606
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  • 61
    Publication Date: 2016-07-13
    Description: We propose a new on-the-fly kinetic Monte Carlo (KMC) method that is based on exhaustive potential energy surface searching carried out with the global reaction route mapping (GRRM) algorithm. Starting from any given equilibrium state, this GRRM-KMC algorithm performs a one-step GRRM search to identify all surrounding transition states. Intrinsic reaction coordinate pathways are then calculated to identify potential subsequent equilibrium states. Harmonic transition state theory is used to calculate rate constants for all potential pathways, before a standard KMC accept/reject selection is performed. The selected pathway is then used to propagate the system forward in time, which is calculated on the basis of 1st order kinetics. The GRRM-KMC algorithm is validated here in two challenging contexts: intramolecular proton transfer in malonaldehyde and surface carbon diffusion on an iron nanoparticle. We demonstrate that in both cases the GRRM-KMC method is capable of reproducing the 1st order kinetics observed during independent quantum chemical molecular dynamics simulations using the density-functional tight-binding potential.
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  • 62
    Publication Date: 2016-07-13
    Description: Resonantly enhanced multiphoton ionization via the E F 1 Σ g + , v ′ = 6 double-well state has been used to probe the energy region below the third dissociation limit of H 2 where several high vibrational levels of the 4 1 Σ u + state are expected. Theoretical ab initio potential energy curves for this state predict a deep inner well and shallow outer well where vibrational levels above v = 8 are expected to exhibit the double-well character of the state. Since the 4 1 Σ u + state has f -state character, transitions to it from the ground state are nominally forbidden. However, the d character of the outer well of the E F 1 Σ g + state allows access to this state. We report observations of transitions to the v = 9–12 levels of the 4 1 Σ u + state and compare their energies to predicted energies calculated from an ab initio potential energy curve with adiabatic corrections. Assignments are based on measured energies and linewidths, rotational constants, and expected transition strengths. The amount of agreement between the predicted values and the observations is mixed, with the largest discrepancies arising for the v = 9 level, owing to strong nonadiabatic electronic mixing in this energy region.
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  • 63
    Publication Date: 2016-07-13
    Description: The photodissociation dynamics of the methyl perthiyl radical (CH 3 SS) have been investigated using fast-beam coincidence translational spectroscopy. Methyl perthiyl radicals were produced by photodetachment of the CH 3 SS − anion followed by photodissociation at 248 nm (5.0 eV) and 193 nm (6.4 eV). Photofragment mass distributions and translational energy distributions were measured at each dissociation wavelength. Experimental results show S atom loss as the dominant (96%) dissociation channel at 248 nm with a near parallel, anisotropic angular distribution and translational energy peaking near the maximal energy available to ground state CH 3 S and S fragments, indicating that the dissociation occurs along a repulsive excited state. At 193 nm, S atom loss remains the major fragmentation channel, although S 2 loss becomes more competitive and constitutes 32% of the fragmentation. The translational energy distributions for both channels are very broad at this wavelength, suggesting the formation of the S 2 and S atom products in several excited electronic states.
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  • 64
    Publication Date: 2016-07-13
    Description: A novel backward wave oscillator (BWO) based on a hole-grating slow wave structure is proposed as a dual sheet beam millimeter wave radiation source. In this paper, we focus on the output characteristics of a 0.14 THz hole-grating BWO. The output characteristics of the hole-grating BWO, the conventional single-beam grating BWO, and the dual-beam grating BWO are contrasted in detail. 3-D particle-in-cell results indicate that the hole-grating slow wave structure can help to increase the maximum output power as well as lower the operating current density. Meanwhile, the hole-grating BWO shows good insensitivity to the differences between two sheet electron beams. These characteristics make the hole-grating BWO feasible to be a stable millimeter wave radiation source with higher output power.
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  • 65
    facet.materialart.
    Unknown
    American Institute of Physics (AIP)
    Publication Date: 2016-07-13
    Description: Particle drift driven by electrostatic wave fluctuations is numerically computed to describe the transport in a gradient velocity layer at the tokamak plasma edge. We consider an equilibrium plasma in large aspect ratio approximation with E × B flow and specified toroidal plasma velocity, electric field, and magnetic field profiles. A symplectic map, previously derived for infinite coherent time modes, is used to describe the transport dependence on the electric, magnetic, and plasma velocity shears. We also show that resonant perturbations and their correspondent islands in the Poincaré maps are much affected by the toroidal velocity profiles. Moreover, shearless transport barriers, identified by extremum values of the perturbed rotation number profiles of the invariant curves, allow chaotic trajectories trapped into the plasma. We investigate the influence of the toroidal plasma velocity profile on these shearless transport barriers.
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  • 66
    facet.materialart.
    Unknown
    American Institute of Physics (AIP)
    Publication Date: 2016-07-13
    Description: The propagation of surface plasmons on a quantum plasma half-space in the absence of any external confinement is investigated. By means of the Quantum Hydrodynamic Model in the electrostatic limit, it is found that the equilibrium density profile is a smooth continuous function which, in the linear regime, supports multiple non-normal surface modes. Defining a spectrum function and using a cutting condition, the dispersion relations of these modes and their relevance for realistic dynamics are computed. It is found that the multiple surface plasmons present a significant red-shift with respect to the case of fully bounded quantum plasmas.
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  • 67
    Publication Date: 2016-07-13
    Description: Splitting of the fundamental mode in an oversized Bragg resonator with a step of the corrugation phase, which operates over the feedback loop involving the waveguide waves of different transverse structures, was found to be the result of mutual influence of the neighboring zones of the Bragg scattering. Theoretical description of this effect was developed within the framework of the advanced (four-wave) coupled-wave approach. It is shown that mode splitting reduces the selective properties, restricts the output power, and decreases the stability of the narrow-band operating regime in the free-electron maser (FEM) oscillators based on such resonators. The results of the theoretical analysis were confirmed by 3D simulations and “cold” microwave tests. Experimental data on Bragg resonators with different parameters in a 30-GHz FEM are presented. The possibility of reducing the mode splitting by profiling the corrugation parameters is shown. The use of the mode splitting effect for the output power enhancement by passive compression of the double-frequency pulse generated in the FEM with such a resonator is discussed.
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  • 68
    Publication Date: 2016-07-13
    Description: In the present experimental work, the behavior of laminar liquid jet in its own vapor as well as supercritical fluid environment is conducted. Also the study of liquid jet injection into nitrogen (N 2 ) environment is carried out at supercritical conditions. It is expected that the injected liquid jet would undergo thermodynamic transition to the chamber condition and this would alter the behavior of the injected jet. Moreover at such conditions there is a strong dependence between thermodynamic and fluid dynamic processes. Thus the thermodynamic transition has its effect on the initial instability as well as the breakup nature of the injected liquid jet. In the present study, the interfacial disturbance wavelength, breakup characteristics, and mixing behavior are analysed for the fluoroketone liquid jet that is injected into N 2 environment as well as into its own vapor at subcritical to supercritical conditions. It is observed that at subcritical chamber conditions, the injected liquid jet exhibits classical liquid jet characteristics with Rayleigh breakup at lower Weber number and Taylor breakup at higher Weber number for both N 2 and its own environment. At supercritical chamber conditions with its own environment, the injected liquid jet undergoes sudden thermodynamic transition to chamber conditions and single phase mixing characteristics is observed. However, the supercritical chamber conditions with N 2 as ambient fluid does not have significant effect on the thermodynamic transition of the injected liquid jet.
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  • 69
    Publication Date: 2016-07-13
    Description: The high-order mode oscillation is studied in designing a four-cavity intense relativistic klystron amplifier. The reason for the oscillation caused by high-order modes and a method to suppress these kinds of spurious modes are found through theoretical analyses and the study on the influence of major parameters of a high frequency structure (such as the oscillation frequency of cavities, the cavity Q value, the length of drift tube section, and the characteristic impedance). Based on much simulation, a four-cavity intense relativistic klystron amplifier with a superior performance has been designed, built, and tested. An output power of 2.22 GW corresponding to 27.4% efficiency and 61 dB gain has been obtained. Moreover, the high-order mode oscillation is suppressed effectively, and an output power of 1.95 GW corresponding to 26% efficiency and 62 dB gain has been obtained in our laboratory.
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  • 70
    Publication Date: 2016-07-13
    Description: The properties of bound-bound transitions in hydrogen-like ions in dense quantum plasmas, characterized by a cosine-Debye-Hückel interaction between charged particles, are studied in detail. The transition frequencies, oscillator strengths, and radiative transition probabilities of Lyman and Balmer series are calculated for a wide range of screening strengths of the interaction up to the n  = 5 shell. For Δ n ≠ 0 transitions, all these quantities exhibit a significant decrease with increasing screening strength, while for the Δ n = 0 transitions and for the radiative lifetimes, the opposite is true. The present results are compared with those available from the literature. They are also compared with the results for the pure Debye-Hückel potential with the same screening strength.
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  • 71
    Publication Date: 2016-07-13
    Description: An aerodynamic levitator with carbon dioxide laser beam heating was integrated with a hermetically sealed controlled atmosphere chamber and sample handling mechanism. The system enabled containment of radioactive samples and control of the process atmosphere chemistry. The chamber was typically operated at a pressure of approximately 0.9 bars to ensure containment of the materials being processed. Samples 2.5-3 mm in diameter were levitated in flowing gas to achieve containerless conditions. Levitated samples were heated to temperatures of up to 3500 °C with a partially focused carbon dioxide laser beam. Sample temperature was measured using an optical pyrometer. The sample environment was integrated with a high energy (100 keV) x-ray synchrotron beamline to enable in situ structure measurements to be made on levitated samples as they were heated, melted, and supercooled. The system was controlled from outside the x-ray beamline hutch by using a LabVIEW program. Measurements have been made on hot solid and molten uranium dioxide and binary uranium dioxide-zirconium dioxide compositions.
    Print ISSN: 0034-6748
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  • 72
    Publication Date: 2016-07-13
    Description: We have developed an optical Absolute Distance Meter (ADM) based on the measurement of the phase accumulated by a Radio Frequency wave during its propagation in the air by a laser beam. In this article, the ADM principle will be described and the main results will be presented. In particular, we will emphasize how the choice of an appropriate photodetector can significantly improve the telemeter performances by minimizing the amplitude to phase conversion. Our prototype, tested in the field, has proven its efficiency with a resolution better than 15 μm for a measurement time of 10 ms and distances up to 1.2 km.
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  • 73
    Publication Date: 2016-07-13
    Description: The InfraRed Video Bolometer (IRVB) is a powerful tool to measure radiated power in magnetically confined plasmas due to its ability to obtain 2D images of plasma emission using a technique that is compatible with the fusion nuclear environment. A prototype IRVB has been developed and installed on NSTX-U to view the lower divertor. The IRVB is a pinhole camera which images radiation from the plasma onto a 2.5 μ m thick, 9 × 7 cm 2 Pt foil and monitors the resulting spatio-temporal temperature evolution using an IR camera. The power flux incident on the foil is calculated by solving the 2D+time heat diffusion equation, using the foil’s calibrated thermal properties. An optimized, high frame rate IRVB, is quantitatively compared to results from a resistive bolometer on the bench using a modulated 405 nm laser beam with variable power density and square wave modulation from 0.2 Hz to 250 Hz. The design of the NSTX-U system and benchtop characterization are presented where signal-to-noise ratios are assessed using three different IR cameras: FLIR A655sc, FLIR A6751sc, and SBF-161. The sensitivity of the IRVB equipped with the SBF-161 camera is found to be high enough to measure radiation features in the NSTX-U lower divertor as estimated using SOLPS modeling. The optimized IRVB has a frame rate up to 50 Hz, high enough to distinguish radiation during edge-localized-modes (ELMs) from that between ELMs.
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  • 74
    Publication Date: 2016-07-14
    Description: Normally we think of the glassy state as a single phase and therefore crystallization from chemically identical amorphous precursors should be identical. Here we show that the local structure of an amorphous precursor is distinct depending on the initial deposition conditions, resulting in significant differences in the final state material. Using grazing incidence total x-ray scattering, we have determined the local structure in amorphous thin films of vanadium oxide grown under different conditions using pulsed laser deposition (PLD). Here we show that the subsequent crystallization of films deposited using different initial PLD conditions result in the formation of different polymorphs of VO 2 . This suggests the possibility of controlling the formation of metastable polymorphs by tuning the initial amorphous structure to different formation pathways.
    Electronic ISSN: 2166-532X
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
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  • 75
    Publication Date: 2016-07-14
    Description: By combining substrate-free structures with anodic bonding technology, we present a simple and efficient micro-electro-mechanical system (MEMS) thermal shear stress sensor. Significantly, the resulting depth of the vacuum cavity of the sensor is determined by the thickness of the silicon substrate at which Si is removed by the anisotropic wet etching process. Compared with the sensor based on a sacrificial layer technique, the proposed MEMS thermal shear-stress sensor exhibits dramatically improved sensitivity due to the much larger vacuum cavity depth. The fabricated MEMS thermal shear-stress sensor with a vacuum cavity depth as large as 525  μ m and a vacuum of 5 × 10 −2  Pa exhibits a sensitivity of 184.5 mV/Pa and a response time of 180  μ s. We also experimentally demonstrate that the sensor power is indeed proportional to the 1/3-power of the applied shear stress. The substrate-free structures offer the ability to precisely measure the shear stress fluctuations in low speed turbulent boundary layer wind tunnels.
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  • 76
    Publication Date: 2016-07-14
    Description: Hot-carrier degradation and room-temperature annealing effects are investigated in unpassivated ammonia-rich AlGaN/GaN high electron mobility transistors. Devices exhibit a fast recovery when annealed after hot carrier stress with all pins grounded. The recovered peak transconductance can exceed the original value, an effect that is not observed in control passivated samples. Density functional theory calculations suggest that dehydrogenation of pre-existing O N -H defects in AlGaN plays a significant role in the observed hot carrier degradation, and the resulting bare O N can naturally account for the “super-recovery” in the peak transconductance.
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  • 77
    Publication Date: 2016-07-14
    Description: Low-pressure chemical vapor deposition growth of graphene on Iridium (Ir) layers epitaxially deposited on α-Al 2 O 3 (0001) substrates was investigated. The X-ray diffraction, Raman and reflection high energy electron diffraction characterizations revealed that graphene films were epitaxially grown on Ir(111) layers, and the in-plane epitaxial relationship between graphene, Ir(111), and α-Al 2 O 3 (0001) was graphene ⟨ 1 1 ¯ 00 ⟩//Ir⟨ 11 2 ¯ ⟩//α-Al 2 O 3 ⟨ 11 2 ¯ 0 ⟩. The graphene on Ir(111) was electrochemically transferred onto SiO 2 /Si substrates. We also demonstrated the reuse of the Ir(111)/α-Al 2 O 3 (0001) substrates in multiple growth and transfer cycles.
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  • 78
    Publication Date: 2016-07-14
    Description: Simple kinematic considerations indicate that, under certain conditions in radio-frequency (rf) plasmas, the amplitude of the low-energy peak in ion energy distributions (IEDs) measured at an electrode depends sensitively on ion velocities upstream, at the presheath/sheath boundary. By measuring this amplitude, the velocities at which ions exit the presheath can be determined and long-standing controversies regarding presheath transport can be resolved. Here, IEDs measured in rf-biased, inductively coupled plasmas in CF 4 gas determined the presheath exit velocities of all significant positive ions: CF 3 + , CF 2 + , CF + , and F + . At higher bias voltages, we detected essentially the same velocity for all four ions. For all ions, measured velocities were significantly lower than the Bohm velocity and the electropositive ion sound speed. Neither is an accurate boundary condition for rf sheaths in electronegative gases: under certain low-frequency, high-voltage criteria defined here, either yields large errors in predicted IEDs. These results indicate that many widely used sheath models will need to be revised.
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  • 79
    Publication Date: 2016-07-14
    Description: Although contact resistance of carbon nanotube (CNT) is one of the most important factors for practical application of electronic devices, a study regarding temperature dependence on contact resistance of CNTs with metal electrodes has not been found. Here, we report an investigation of contact resistance at multiwalled nanotube (MWNT)/Ag interface as a function of temperature, using MWNT/polydimethylsiloxane (PDMS) composite. Electrical resistance of MWNT/PDMS composite revealed negative temperature coefficient (NTC). Excluding the contact resistance with Ag electrode, the NTC effect became less pronounced, showing lower intrinsic resistivity with the activation energy of 0.019 eV. Activation energy of the contact resistance of MWNT/Ag interface was determined to be 0.04 eV, two times larger than that of MWNT-MWNT network. The increase in the thermal fluctuation assisted electron tunneling is attributed to conductivity enhancement at both MWNT/MWNT and MWNT/Ag interfaces with increasing temperature.
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  • 80
    Publication Date: 2016-07-14
    Description: We report a crucial step towards single-object cavity electrodynamics in the mid-infrared spectral range using resonators that borrow functionalities from antennas. Room-temperature strong light-matter coupling is demonstrated in the mid-infrared between an intersubband transition and an extremely reduced number of sub-wavelength resonators. By exploiting 3D plasmonic nano-antennas featuring an out-of-plane geometry, we observed strong light-matter coupling in a very low number of resonators: only 16, more than 100 times better than what reported to date in this spectral range. The modal volume addressed by each nano-antenna is sub-wavelength-sized and it encompasses only ≈4400 electrons.
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  • 81
    Publication Date: 2016-07-14
    Description: In this paper, a new memristor-based multi-scroll hyper-chaotic system is designed. The proposed memristor-based system possesses multiple complex dynamic behaviors compared with other chaotic systems. Various coexisting attractors and hidden coexisting attractors are observed in this system, which means extreme multistability arises. Besides, by adjusting parameters of the system, this chaotic system can perform single-scroll attractors, double-scroll attractors, and four-scroll attractors. Basic dynamic characteristics of the system are investigated, including equilibrium points and stability, bifurcation diagrams, Lyapunov exponents, and so on. In addition, the presented system is also realized by an analog circuit to confirm the correction of the numerical simulations.
    Print ISSN: 1054-1500
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  • 82
    Publication Date: 2016-07-14
    Description: We have investigated the thickness-dependent transport properties of La 1/3 Sr 2/3 FeO 3 thin films grown on SrTiO 3 (001) and (111) substrates. At a thickness of ∼40 nm, both films show a clear transition in resistivity associated with the characteristic charge disproportionation at approximately 190 K. The transition temperature of the charge disproportionation is nearly unchanged with decreasing film thickness down to a certain thickness of ∼13 nm for both orientations, while the change in resistivity gradually decreases. Below this thickness, the transition becomes unclear, strongly suggesting the suppression of the charge disproportionation at the critical thickness of ∼13 nm. Furthermore, there is no significant difference in the thickness dependence of La 1/3 Sr 2/3 FeO 3 thin films between the (001) and (111) orientations. The negligible crystallographic-orientation dependence may reflect the isotropic nature for the domain of charge disproportionation states in La 1/3 Sr 2/3 FeO 3 .
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  • 83
    Publication Date: 2016-07-14
    Description: Titanium oxide (TiO x ) has attracted a lot of attention as an active material for resistive random access memory (RRAM), due to its versatility and variety of possible crystal phases. Although existing RRAM materials have demonstrated impressive characteristics, like ultra-fast switching and high cycling endurance, this technology still encounters challenges like low yields, large variability of switching characteristics, and ultimately device failure. Electroforming has been often considered responsible for introducing irreversible damage to devices, with high switching voltages contributing to device degradation. In this paper, we have employed Al doping for tuning the resistive switching characteristics of titanium oxide RRAM. The resistive switching threshold voltages of undoped and Al-doped TiO x thin films were first assessed by conductive atomic force microscopy. The thin films were then transferred in RRAM devices and tested with voltage pulse sweeping, demonstrating that the Al-doped devices could on average form at lower potentials compared to the undoped ones and could support both analog and binary switching at potentials as low as 0.9 V. This work demonstrates a potential pathway for implementing low-power RRAM systems.
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  • 84
    Publication Date: 2016-07-14
    Description: In this work, electron induced modifications on the bulk etch rate, structural and optical parameters of CR-39 polymer were studied using gravimetric, FTIR (Fourier Transform Infrared) and UV–vis (Ultraviolet–Visible) techniques, respectively. CR-39 samples were irradiated with 10 MeV electron beam for different durations to have the absorbed doses of 1, 10, 550, 5500, 16 500, and 55 000 kGy. From the FTIR analysis, the peak intensities at different bands were found to be changing with electron dose. A few peaks were observed to shift at high electron doses. From the UV-vis analysis, the optical band gaps for both direct and indirect transitions were found to be decreasing with the increase in electron dose whereas the opacity, number of carbon atoms in conjugation length, and the number of carbon atoms per cluster were found to be increasing. The bulk etch rate was observed to be increasing with the electron dose. The primary objective of this investigation was to study the response of CR-39 to high electron doses and to determine a suitable pre-irradiation condition. The results indicated that, the CR-39 pre-irradiated with electrons can have better sensitivity and thus can be potentially applied for neutron dosimetry.
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  • 85
    Publication Date: 2016-07-14
    Description: Low temperature thermal to electrical energy converters have the potential to provide a route for recovering waste energy. In this paper, we propose a new configuration of a thermal harvester that uses a naturally driven thermal oscillator free of mechanical motion and operates between a hot heat source and a cold heat sink. The system exploits a heat induced liquid-vapour transition of a working fluid as a primary driver for a pyroelectric generator. The two-phase instability of a fluid in a closed looped capillary channel of an oscillating heat pipe (OHP) creates pressure differences which lead to local high frequency temperature oscillations in the range of 0.1–5 K. Such temperature changes are suitable for pyroelectric thermal to electrical energy conversion, where the pyroelectric generator is attached to the adiabatic wall of the OHP, thereby absorbing thermal energy from the passing fluid. This new pyroelectric-oscillating heat pipe (POHP) assembly of a low temperature generator continuously operates across a spatial heat source temperature of 55 °C and a heat sink temperature of 25 °C, and enables waste heat recovery and thermal energy harvesting from small temperature gradients at low temperatures. Our electrical measurements with lead zirconate titanate (PZT) show an open circuit voltage of 0.4 V (AC) and with lead magnesium niobate–lead titanate (PMN-PT) an open circuit voltage of 0.8 V (AC) at a frequency of 0.45 Hz, with an energy density of 95 pJ cm −3 for PMN-PT. Our novel POHP device therefore has the capability to convert small quantities of thermal energy into more desirable electricity in the nW to mW range and provides an alternative to currently used batteries or centralised energy generation.
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  • 86
    Publication Date: 2016-07-14
    Description: Electrode materials selection guidelines for oxide-based memory devices are constructed from the combined knowledge of observed device operation characteristics, ab-initio calculations, and nano-material characterization. It is demonstrated that changing the top electrode material from Ge to Cr to Ta in the Ta 2 O 5 -based memory devices resulted in a reduction of the operation voltages and current. Energy Dispersed X-ray (EDX) Spectrometer analysis clearly shows that the different top electrode materials scavenge oxygen ions from the Ta 2 O 5 memory layer at various degrees, leading to different oxygen vacancy concentrations within the Ta 2 O 5 , thus the observed trends in the device performance. Replacing the Pt bottom electrode material with CMOS compatible materials (Ru and Ir) further reduces the power consumption and can be attributed to the modification of the Schottky barrier height and oxygen vacancy concentration at the electrode/oxide interface. Both trends in the device performance and EDX results are corroborated by the ab-initio calculations which reveal that the electrode material tunes the oxygen vacancy concentration via the oxygen chemical potential and defect formation energy. This experimental-theoretical approach strongly suggests that the proper selection of CMOS compatible electrode materials will create the critical oxygen vacancy concentration to attain low power memory performance.
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  • 87
    Publication Date: 2016-07-14
    Description: Thus far, despite many investigations have been carried out for photo-triggered drug delivery systems, most of them suffer from an intrinsic drawback of without real-time monitoring mechanism. Incident intensity of light is a feasible parameter to monitor the drug release profiles. However, it is difficult to measure the incident laser power irradiated onto the photo-triggered carriers in drug delivery systems during in vivo therapy. We design an online measurement method based on the fluorescence intensity ratio (FIR) technique through upconversion nanoparticles. FIR value varies with temperature of sample due to the thermal effect induced by the incident laser, which validates the laser power measurement. Effects of rare earth doping concentration, as well as experimental conditions including laser spots and wavelengths on the measurement behavior were also investigated.
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  • 88
    Publication Date: 2016-07-14
    Description: Several candidate phenomenological expressions are studied for self-rippling energy that drives ripple formation of free single-layer graphene sheets. One phenomenological expression is admitted, while all others are rejected because they cannot admit stable periodic ripple mode. The admitted phenomenological expression contains two terms: one quadratic term which acts like a compressive force and has a destabilizing effect, and another fourth-order term which acts like a nonlinear elastic foundation and has a stabilizing effect. The two associated coefficients depend on specific mechanism of self-rippling and can be determined based on observed wavelength and amplitude of ripple mode. Based on the admitted expression, the effect of an applied force on ripple formation is studied. The present model predicts that the rippling can be controlled or even suppressed with an applied tensile force or collapsed into narrow wrinkles (of deformed wavelengths down to around 2 nm) under an applied compressive force, and the estimated minimum tensile strain to suppress rippling is in remarkable agreement with some known data. Our results show that self-rippling energy dominates ripple formation of sufficiently long free graphene ribbons, although it cannot drive self-rippling of sufficiently short free graphene ribbons. Consequently, a critical length is estimated so that self-rippling occurs only when the length of free single-layer graphene ribbons is much longer than the critical length. The estimated critical length is reasonably consistent with the known fact that self-rippling cannot occur in shorter free graphene sheets (say, of length below 20 nm).
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  • 89
    Publication Date: 2016-07-14
    Description: A single electron dynamic memory is designed based on the non-equilibrium dynamics of charge states in electrostatically defined metallic quantum dots. Using the orthodox theory for computing the transfer rates and a master equation, we model the dynamical response of devices consisting of a charge sensor coupled to either a single and or a double quantum dot subjected to a pulsed gate voltage. We show that transition rates between charge states in metallic quantum dots are characterized by an asymmetry that can be controlled by the gate voltage. This effect is more pronounced when the switching between charge states corresponds to a Markovian process involving electron transport through a chain of several quantum dots. By simulating the dynamics of electron transport we demonstrate that the quantum box operates as a finite-state machine that can be addressed by choosing suitable shapes and switching rates of the gate pulses. We further show that writing times in the ns range and retention memory times six orders of magnitude longer, in the ms range, can be achieved on the double quantum dot system using experimentally feasible parameters, thereby demonstrating that the device can operate as a dynamic single electron memory.
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  • 90
    Publication Date: 2016-07-14
    Description: Chemical vapor deposition methods were developed, using stoichiometric reactions of specialty Ge 3 H 8 and SnD 4 hydrides, to fabricate Ge 1- y Sn y photodiodes with very high Sn concentrations in the 12%–16% range. A unique aspect of this approach is the compatible reactivity of the compounds at ultra-low temperatures, allowing efficient control and systematic tuning of the alloy composition beyond the direct gap threshold. This crucial property allows the formation of thick supersaturated layers with device-quality material properties. Diodes with composition up to 14% Sn were initially produced on Ge-buffered Si(100) featuring previously optimized n -Ge/ i -Ge 1- y Sn y / p -Ge 1- z Sn z type structures with a single defected interface. The devices exhibited sizable electroluminescence and good rectifying behavior as evidenced by the low dark currents in the I-V measurements. The formation of working diodes with higher Sn content up to 16% Sn was implemented by using more advanced n -Ge 1- x Sn x / i -Ge 1- y Sn y / p -Ge 1- z Sn z architectures incorporating Ge 1- x Sn x intermediate layers ( x ∼ 12% Sn) that served to mitigate the lattice mismatch with the Ge platform. This yielded fully coherent diode interfaces devoid of strain relaxation defects. The electrical measurements in this case revealed a sharp increase in reverse-bias dark currents by almost two orders of magnitude, in spite of the comparable crystallinity of the active layers. This observation is attributed to the enhancement of band-to-band tunneling when all the diode layers consist of direct gap materials and thus has implications for the design of light emitting diodes and lasers operating at desirable mid-IR wavelengths. Possible ways to engineer these diode characteristics and improve carrier confinement involve the incorporation of new barrier materials, in particular, ternary Ge 1- x - y Si x Sn y alloys. The possibility of achieving type-I structures using binary and ternary alloy combinations is discussed in detail, taking into account the latest experimental and theoretical work on band offsets involving such materials.
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  • 91
    Publication Date: 2016-07-14
    Description: Temperature-dependent characteristics of GeSn light-emitting diodes with Sn composition up to 9.2% have been systematically studied. Such diodes were based on Ge/GeSn/Ge double heterostructures (DHS) that were grown directly on a Si substrate via a chemical vapor deposition system. Both photoluminescence and electroluminescence spectra have been characterized at temperatures from 300 to 77 K. Based on our theoretical calculation, all GeSn alloys in this study are indirect bandgap materials. However, due to the small energy separation between direct and indirect bandgap, and the fact that radiative recombination rate greater than non-radiative, the emissions are mainly from the direct Γ-valley to valence band transitions. The electroluminescence emissions under current injection levels from 102 to 357 A/cm 2 were investigated at 300 K. The monotonic increase of the integrated electroluminescence intensity was observed for each sample. Moreover, the electronic band structures of the DHS were discussed. Despite the indirect GeSn bandgap owing to the compressive strain, type-I band alignment was achieved with the barrier heights ranging from 11 to 47 meV.
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  • 92
    Publication Date: 2016-07-14
    Description: Due to their high strength and advantageous high-temperature properties, tungsten-based alloys are being considered as plasma-facing candidate materials in fusion devices. Under neutron irradiation, rhenium, which is produced by nuclear transmutation, has been found to precipitate in elongated precipitates forming thermodynamic intermetallic phases at concentrations well below the solubility limit. Recent measurements have shown that Re precipitation can lead to substantial hardening, which may have a detrimental effect on the fracture toughness of W alloys. This puzzle of sub-solubility precipitation points to the role played by irradiation induced defects, specifically mixed solute-W interstitials. Here, using first-principles calculations based on density functional theory, we study the energetics of mixed interstitial defects in W-Re, W-V, and W-Ti alloys, as well as the heat of mixing for each substitutional solute. We find that mixed interstitials in all systems are strongly attracted to each other with binding energies of −2.4 to − 3.2   eV and form interstitial pairs that are aligned along parallel first-neighbor 〈 111 〉 strings. Low barriers for defect translation and rotation enable defect agglomeration and alignment even at moderate temperatures. We propose that these elongated agglomerates of mixed-interstitials may act as precursors for the formation of needle-shaped intermetallic precipitates. This interstitial-based mechanism is not limited to radiation induced segregation and precipitation in W–Re alloys but is also applicable to other body-centered cubic alloys.
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  • 93
    Publication Date: 2016-07-14
    Description: The static and dynamic properties of water in small silicon-carbide and carbon nanotubes have been studied over the temperature range 100 K–298 K, using extensive molecular dynamics simulations. The computed properties include the radial distribution function, the cage correlation function, the space-time autocorrelation function, the velocity autocorrelation function, and the self-diffusivity. They all indicate that, under the conditions that we study, water does not freeze in small nanotubes; the Stokes-Einstein relation breaks down, and the self-diffusivity exhibits a transition around 230 K, very close to 228 K, the temperature at which a fragile-to-strong dynamic crossover is supposed to happen. The cage correlation function C ( t ) decays according to a stretched-exponential function, C ( t ) ∼ exp[ − ( t / τ ) β ], where τ is a relaxation time and β is a topological exponent.
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  • 94
    Publication Date: 2016-07-14
    Description: Feasibility of laser-cooling AlCl molecule is investigated using ab initio quantum chemistry. Potential energy curves, permanent dipole moments, and transition dipole moments for the X 1 Σ + , a 3 Π, and A 1 Π states are studied based on multi-reference configuration interaction plus Davidson corrections (MRCI+Q) method with ACVQZ basis set, spin-orbit coupling effects are considered at the MRCI+Q level. Highly diagonally distributed Franck–Condon factors ( f 00 = 0.9988 and f 11 = 0.9970) and branching ratios ( R 00 = 0.9965, R 01 = 2.85 × 10 −3 , R 02 = 6.35 × 10 −4 , and R 03 = 2.05 × 10 −6 ) for the A 1 Π 1 ( ν ′ = 0 ) → X 1 Σ 0 + + ( ν ″ = 0 ) transition are determined. A sufficiently radiative lifetime τ ( A 1 Π 1 ) = 4.99 ns is predicted for rapid laser cooling. The proposed cooling wavelength is deep in the ultraviolet region at λ 00 = 261.75 nm. Total emission rates for the a 3 Π 0 + → X 1 Σ 0 + + , a 3 Π 1 → X 1 Σ 0 + + , A 1 Π 1 → a 3 Π 0 + , and A 1 Π 1 → a 3 Π 1 transitions are particularly small (∼10 s −1 –650 s −1 ). The calculated vibrational branching loss ratio to the intermediate a 3 Π 0 + and a 3 Π 1 states can be negligible. The results imply the probability of laser cooling AlCl molecule with three-electronic-level.
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  • 95
    Publication Date: 2016-07-14
    Description: This paper presents an explanation based on torsionally mediated proton-spin–overall-rotation interaction for the observation of doublet hyperfine splittings in some Lamb-dip sub-millimeter-wave transitions between ground-state torsion-rotation states of E symmetry in methanol. These unexpected doublet splittings, some as large as 70 kHz, were observed for rotational quantum numbers in the range of J = 13 to 34, and K = − 2 to +3. Because they increase nearly linearly with J for a given branch, we confined our search for an explanation to hyperfine operators containing one nuclear-spin angular momentum factor I and one overall-rotation angular momentum factor J (i.e., to spin-rotation operators) and ignored both spin-spin and spin-torsion operators, since they contain no rotational angular momentum operator. Furthermore, since traditional spin-rotation operators did not seem capable of explaining the observed splittings, we constructed totally symmetric “torsionally mediated spin-rotation operators” by multiplying the E-species spin-rotation operator by an E-species torsional-coordinate factor of the form e ± ni α . The resulting operator is capable of connecting the two components of a degenerate torsion-rotation E state. This has the effect of turning the hyperfine splitting pattern upside down for some nuclear-spin states, which leads to bottom-to-top and top-to-bottom hyperfine selection rules for some transitions, and thus to an explanation for the unexpectedly large observed hyperfine splittings. The constructed operator cannot contribute to hyperfine splittings in the A-species manifold because its matrix elements within the set of torsion-rotation A 1 and A 2 states are all zero. The theory developed here fits the observed large doublet splittings to a root-mean-square residual of less than 1 kHz and predicts unresolvable splittings for a number of transitions in which no doublet splitting was detected.
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  • 96
    Publication Date: 2016-07-15
    Description: In terms of the local bond-orientational order (LBOO) parameters, a cluster approach to analyze local structures of simple liquids was developed. In this approach, a cluster is defined as a combination of neighboring seeds having at least n b local-orientational bonds and their nearest neighbors, and a cluster ensemble is a collection of clusters with a specified n b and number of seeds n s . This cluster analysis was applied to investigate the microscopic structures of liquid Ga at ambient pressure (AP). The liquid structures studied were generated through ab initio molecular dynamics simulations. By scrutinizing the static structure factors (SSFs) of cluster ensembles with different combinations of n b and n s , we found that liquid Ga at AP contained two types of cluster structures, one characterized by sixfold orientational symmetry and the other showing fourfold orientational symmetry. The SSFs of cluster structures with sixfold orientational symmetry were akin to the SSF of a hard-sphere fluid. On the contrary, the SSFs of cluster structures showing fourfold orientational symmetry behaved similarly as the anomalous SSF of liquid Ga at AP, which is well known for exhibiting a high-q shoulder. The local structures of a highly LBOO cluster whose SSF displayed a high-q shoulder were found to be more similar to the structure of β-Ga than those of other solid phases of Ga. More generally, the cluster structures showing fourfold orientational symmetry have an inclination to resemble more to β -Ga.
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  • 97
    Publication Date: 2016-07-15
    Description: Resonant soft X-ray reflectivity at the carbon K edge, with linearly polarized light, was used to derive quantitative information of film morphology, molecular arrangement, and electronic orbital anisotropies of an ultrathin 3,4,9,10-perylene tetracarboxylic dianhydride (PTCDA) film on Au(111). The experimental spectra were simulated by computing the propagation of the electromagnetic field in a trilayer system (vacuum/PTCDA/Au), where the organic film was treated as an anisotropic medium. Optical constants were derived from the calculated (through density functional theory) absorption cross sections of the single molecule along the three principal molecular axes. These were used to construct the dielectric tensor of the film, assuming the molecules to be lying flat with respect to the substrate and with a herringbone arrangement parallel to the substrate plane. Resonant soft X-ray reflectivity proved to be extremely sensitive to film thickness, down to the single molecular layer. The best agreement between simulation and experiment was found for a film of 1.6 nm, with flat laying configuration of the molecules. The high sensitivity to experimental geometries in terms of beam incidence and light polarization was also clarified through simulations. The optical anisotropies of the organic film were experimentally determined and through the comparison with calculations, it was possible to relate them to the orbital symmetry of the empty electronic states.
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  • 98
    Publication Date: 2016-07-15
    Description: An automated property optimization method was developed based on the ab initio O( N ) elongation (ELG) method and applied to the optimization of nonlinear optical (NLO) properties in DNA as a first test. The ELG method mimics a polymerization reaction on a computer, and the reaction terminal of a starting cluster is attacked by monomers sequentially to elongate the electronic structure of the system by solving in each step a limited space including the terminal (localized molecular orbitals at the terminal) and monomer. The ELG-finite field (ELG-FF) method for calculating (hyper-)polarizabilities was used as the engine program of the optimization method, and it was found to show linear scaling efficiency while maintaining high computational accuracy for a random sequenced DNA model. Furthermore, the self-consistent field convergence was significantly improved by using the ELG-FF method compared with a conventional method, and it can lead to more feasible NLO property values in the FF treatment. The automated optimization method successfully chose an appropriate base pair from four base pairs (A, T, G, and C) for each elongation step according to an evaluation function. From test optimizations for the first order hyper-polarizability (β) in DNA, a substantial difference was observed depending on optimization conditions between “choose-maximum” (choose a base pair giving the maximum β for each step) and “choose-minimum” (choose a base pair giving the minimum β). In contrast, there was an ambiguous difference between these conditions for optimizing the second order hyper-polarizability (γ) because of the small absolute value of γ and the limitation of numerical differential calculations in the FF method. It can be concluded that the ab initio level property optimization method introduced here can be an effective step towards an advanced computer aided material design method as long as the numerical limitation of the FF method is taken into account.
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  • 99
    Publication Date: 2016-07-15
    Description: We report an implementation of the molecular gradient using the divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation theory (DEC-RI-MP2). The new DEC-RI-MP2 gradient method combines the precision control as well as the linear-scaling and massively parallel features of the DEC scheme with efficient evaluations of the gradient contributions using the RI approximation. We further demonstrate that the DEC-RI-MP2 gradient method is capable of calculating molecular gradients for very large molecular systems. A test set of supramolecular complexes containing up to 158 atoms and 1960 contracted basis functions has been employed to demonstrate the general applicability of the DEC-RI-MP2 method and to analyze the errors of the DEC approximation. Moreover, the test set contains molecules of complicated electronic structures and is thus deliberately chosen to stress test the DEC-RI-MP2 gradient implementation. Additionally, as a showcase example the full molecular gradient for insulin (787 atoms and 7604 contracted basis functions) has been evaluated.
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  • 100
    Publication Date: 2016-07-15
    Description: Hydrogen production from ethanol solution (ethanol/water) by pulsed spark discharge was optimized by varying the volume of ethanol solution (liquid volume). Hydrogen yield was initially increased and then decreased with the increase in solution volume, which achieved 1.5 l/min with a solution volume of 500 ml. The characteristics of pulsed spark discharge were studied in this work; the results showed that the intensity of peak current, the rate of current rise, and energy efficiency of hydrogen production can be changed by varying the volume of ethanol solution. Meanwhile, the mechanism analysis of hydrogen production was accomplished by monitoring the process of hydrogen production and the state of free radicals. The analysis showed that decreasing the retention time of gas production and properly increasing the volume of ethanol solution can enhance the hydrogen yield. Through this research, a high-yield and large-scale method of hydrogen production can be achieved, which is more suitable for industrial application.
    Print ISSN: 1070-664X
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