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- ItemSingle-crystal neutron and X-ray diffraction study of garnet-type solid-state electrolyte Li6La3ZrTaO12: An in situ temperature-dependence investigation (2.5 ≤ T ≤ 873 K)(Oxford [u.a.] : Wiley-Blackwell, 2021) Redhammer, Günther J.; Meven, Martin; Ganschow, Steffen; Tippelt, Gerold; Rettenwander, DanielLarge single crystals of garnet-type Li6La3ZrTaO12 (LLZTO) were grown by the Czochralski method and analysed using neutron diffraction between 2.5 and 873 K in order to fully characterize the Li atom distribution, and possible Li ion mobility in this class of potential candidates for solid-state electrolyte battery material. LLZTO retains its cubic symmetry (space group Ia 3 d) over the complete temperature range. When compared to other sites, the octahedral sites behave as the most rigid unit and show the smallest increase in atomic displacement parameters and bond length. The La and Li sites show similar thermal expansion in their bond lengths with temperature, and the anisotropic and equivalent atomic displacement parameters exhibit a distinctly larger increase at temperatures above 400 K. Detailed inspection of nuclear densities at the Li1 site reveal a small but significant displacement from the 24d position to the typical 96h position, which cannot, however, be resolved from the single-crystal X-ray diffraction data. The site occupation of LiI ions on Li1 and Li2 sites remains constant, so there is no change in site occupation with temperature. © 2021 International Union of Crystallography. All rights reserved.
- ItemCzochralski growth of mixed cubic sesquioxide crystals in the ternary system Lu2O3-Sc2O3-Y2O3(Oxford [u.a.] : Wiley-Blackwell, 2021) Kränkel, Christian; Uvarova, Anastasia; Haurat, Émile; Hülshoff, Lena; Brützam, Mario; Guguschev, Christo; Kalusniaka, Sascha; Klimm, DetlefCubic rare-earth sesquioxide crystals are strongly demanded host materials for high power lasers, but due to their high melting points investigations on their thermodynamics and the growth of large-size crystals of high optical quality remain a challenge. Detailed thermal investigations of the ternary system Lu2O3-Sc2O3-Y2O3 revealing a large range of compositions with melting temperatures below 2200°C and a minimum of 2053°C for the composition (Sc0.45Y0.55)2O3 are presented. These reduced temperatures enable for the first time the growth of high optical quality mixed sesquioxide crystals with disordered structure by the conventional Czochralski method from iridium crucibles. An (Er0.07Sc0.50Y0.43)2O3 crystal is successfully grown and characterized with respect to its crystallographic properties as well as its composition, thermal conductivity and optical absorption in the 1μm range. © 2021 International Union of Crystallography. All rights reserved.
- ItemA post-IR IRSL chronology and dust mass accumulation rates of the Nosak loess-palaeosol sequence in northeastern Serbia(Oxford [u.a.] : Wiley-Blackwell, 2020) Perić, Zoran M.; Marković, Slobodan B.; Sipos, György; Gavrilov, Milivoj B.; Thiel, Christine; Zeeden, Christian; Murray, Andrew S.In the Middle Danube Basin, Quaternary deposits are widely distributed in the Vojvodina region where they cover about 95% of the area. Major research during the last two decades has been focused on loess deposits in the Vojvodina region. During this period, loess in the Vojvodina region has become one of the most important Pleistocene European continental climatic and environmental records. Here we present the dating results of 15 samples taken from the Nosak loess-palaeosol sequence in northeastern Serbia in order to establish a chronology over the last three glacial–interglacial cycles. We use the pIRIR290 signal of the 4–11 μm polymineral grains. The calculated ages are within the error limits partially consistent with the proposed multi-millennial chronostratigraphy for Serbian loess. The average mass accumulation rate for the last three glacial–interglacial cycles is 265 g m−2 a−1, which is in agreement with the values of most sites in the Carpathian Basin. Our results indicate a highly variable deposition rate of loess, especially during the MIS 3 and MIS 6 stages, which is contrary to most studies conducted in Serbia where linear sedimentation rates were assumed. © 2020 The Authors. Boreas published by John Wiley & Sons Ltd on behalf of The Boreas Collegium
- ItemIce-marginal forced regressive deltas in glacial lake basins: geomorphology, facies variability and large-scale depositional architecture(Oxford [u.a.] : Wiley-Blackwell, 2018) Winsemann, Jutta; Lang, Jörg; Polom, Ulrich; Loewer, Markus; Igel, Jan; Pollok, Lukas; Brandes, ChristianThis study presents a synthesis of the geomorphology, facies variability and depositional architecture of ice-marginal deltas affected by rapid lake-level change. The integration of digital elevation models, outcrop, borehole, ground-penetrating radar and high-resolution shear-wave seismic data allows for a comprehensive analysis of these delta systems and provides information about the distinct types of deltaic facies and geometries generated under different lake-level trends. The exposed delta sediments record mainly the phase of maximum lake level and subsequent lake drainage. The stair-stepped profiles of the delta systems reflect the progressive basinward lobe deposition during forced regression when the lakes successively drained. Depending on the rate and magnitude of lake-level fall, fan-shaped, lobate or more digitate tongue-like delta morphologies developed. Deposits of the stair-stepped transgressive delta bodies are buried, downlapped and onlapped by the younger forced regressive deposits. The delta styles comprise both Gilbert-type deltas and shoal-water deltas. The sedimentary facies of the steep Gilbert-type delta foresets include a wide range of gravity-flow deposits. Delta deposits of the forced-regressive phase are commonly dominated by coarse-grained debrisflow deposits, indicating strong upslope erosion and cannibalization of older delta deposits. Deposits of supercritical turbidity currents are particularly common in sand-rich Gilbert-type deltas that formed during slow rises in lake level and during highstands. Foreset beds consist typically of laterally and vertically stacked deposits of antidunes and cyclic steps. The trigger mechanisms for these supercritical turbidity currents were both hyperpycnal meltwater flows and slope-failure events. Shoal-water deltas formed at low water depths during both low rates of lake-level rise and forced regression. Deposition occurred from tractional flows. Transgressive mouthbars form laterally extensive sand-rich delta bodies with a digitate, multi-tongue morphology. In contrast, forced regressive gravelly shoal-water deltas show a high dispersion of flow directions and form laterally overlapping delta lobes. Deformation structures in the forced-regressive ice-marginal deltas are mainly extensional features, including normal faults, small graben or half-graben structures and shear-deformation bands, which are related to gravitational delta tectonics, postglacial faulting during glacial-isostatic adjustment, and crestal collapse above salt domes. A neotectonic component cannot be ruled out in some cases. © 2018 The Authors. Boreas published by John Wiley & Sons Ltd on behalf of The Boreas Collegium
- ItemGrowth of titania and tin oxide from Ti2SnC via rapid thermal oxidation in air for lithium-ion battery application(Oxford [u.a.] : Wiley-Blackwell, 2023) Jolly, Shae; Husmann, Samantha; Presser, Volker; Naguib, MichaelHerein, we report the synthesis of TiO2–SnO2–C/carbide hybrid electrode materials for Li-ion batteries (LIBs) via two different methods of controlled oxidation of layered Ti2SnC. The material was partially oxidized in an open-air furnace (OAF) or using a rapid thermal annealing (RTA) approach to obtain the desired TiO2–SnO2–C/carbide hybrid material; the carbide phase encompassed both residual Ti2SnC and TiC as a reaction product. We tested the oxidized materials as an anode in a half cell to investigate their electrochemical performance in LIBs. Analysis of the various oxidation conditions indicated the highest initial lithiation capacity of 838 mAh/g at 100 mA/g for the sample oxidized in the OAF at 700°C for 1 h. Still, the delithiation capacity dropped to 427 mAh/g and faded over cycling. Long-term cycling demonstrated that the RTA sample treated at 800°C for 30 s was the most efficient, as it demonstrated a reversible capacity of around 270 mAh/g after 150 cycles, as well as a specific capacity of about 150 mAh/g under high cycling rate (2000 mA/g). Given the materials’ promising performance, this processing method could likely be applied to many other members of the MAX family, with a wide range of energy storage applications.
- ItemImpact of cold atmospheric pressure plasma processing on storage of blueberries(Oxford [u.a.] : Wiley-Blackwell, 2020) Pathak, Namrata; Grossi Bovi, Graziele; Limnaios, Athanasios; Fröhling, Antje; Brincat, Jean-Pierre; Taoukis, Petros; Valdramidis, Vasilis P.; Schlüter, OliverThe current study aimed at investigating the impact of nitrogen (N)-generated cold atmospheric pressure plasma (CAPP) treatment on blueberries focusing on the overall impact on berry quality and microbial load along a storage period of 10 days. Blueberries were treated for 0 (control), 5, and 10 min. Assessment of fruit quality (°Bx, ascorbic acid, anthocyanins, titratable acidity, elasticity, and color parameters) and microbial analysis was performed. Results showed that CAPP treatment was more effective in inhibiting bacterial growth than fungal growth and during the subsequent storage, the quality parameters did not differ significantly from the control, under the same conditions. The study supports N-generated CAPP as a disinfection technique to reduce microbial load in blueberries without significantly impacting most quality parameters. Practical applications: Over the last decades, foodborne illness outbreaks around the world have been associated with berries. For that reason, due to the increasing consumption of berries it is paramount to study technologies that can eliminate pathogens responsible for such outbreaks. Cold atmospheric pressure plasma (CAPP) can be a promising technology to be used as an alternative to traditional decontamination methods of food. In this context, this study explored the effect and efficiency of this novel technology on reduction of native microflora and its impact on the physical and chemical properties of blueberries treated by nitrogen (N)-generated CAPP with subsequent storage of 10 days. Results of this work confirmed that such technology has high potential application for decontamination of berries without significantly impacting most quality parameters and thereby can be a potential technology for industrial applications. © 2020 The Authors. Journal of Food Processing and Preservation published by Wiley Periodicals LLC.
- ItemSimulating functional diversity of European natural forests along climatic gradients(Oxford [u.a.] : Wiley-Blackwell, 2020) Thonicke, Kirsten; Billing, Maik; von Bloh, Werner; Sakschewski, Boris; Niinemets, Ülo; Peñuelas, Josep; Cornelissen, J. Hans C.; Onoda, Yusuke; van Bodegom, Peter; Schaepman, Michael E.; Schneider, Fabian D.; Walz, ArianeAim: We analyse how functional diversity (FD) varies across European natural forests to understand the effects of environmental and competitive filtering on plant trait distribution. Location: Forest ecosystems in Europe from 11°W to 36°E and 29.5°N to 62°N. Taxon: Pinaceae, Fagaceae and Betulaceae, Oleaceae, Tiliaceae, Aceraceae, Leguminosae (unspecific). Methods: We adopted the existing Dynamic Global Vegetation Model Lund-Potsdam-Jena managed Land of flexible individual traits (LPJmL-FIT) for Europe by eliminating both bioclimatic limits of plant functional types (PFTs) and replacing prescribed values of functional traits for PFTs with emergent values under influence of environmental filtering and competition. We quantified functional richness (FR), functional divergence (FDv) and functional evenness (FE) in representative selected sites and at Pan-European scale resulting from simulated functional and structural trait combinations of individual trees. While FR quantifies the amount of occupied trait space, FDv and FE describe the distribution and abundance of trait combinations, respectively, in a multidimensional trait space. Results: Lund-Potsdam-Jena managed Land of flexible individual traits reproduces spatial PFTs and local trait distributions and agrees well with observed productivity, biomass and tree height of European natural forests. The observed site-specific trait distributions and spatial gradients of traits of the leaf- and stem-resource economics spectra coincide with environmental filtering and the competition for light and water in environments with strong abiotic stress. Where deciduous and needle-leaved trees co-occur, for example, in boreal and mountainous forests, the potential niche space is wide (high FR), and extreme ends in the niche space are occupied (high FDv). We find high FDv in Mediterranean forests where drought increasingly limits tree growth, thus niche differentiation becomes more important. FDv decreases in temperate forests where a cold climate increasingly limits growth efficiency of broad-leaved summer green trees, thus reducing the importance of competitive exclusion. Highest FE was simulated in wet Atlantic and southern Europe which indicated relatively even niche occupation and thus high resource-use efficiency. Main Conclusions: We find FD resulting from both environmental and competitive filtering. Pan-European FR, FDv and FE demonstrate the influence of climate gradients and intra- and inter-PFT competition. The indices underline a generally high FD of natural forests in Europe. Co-existence of functionally diverse trees across PFTs emerges from alternative (life-history) strategies, disturbance and tree demography. © 2020 John Wiley & Sons Ltd
- ItemSemitractability of optimal stopping problems via a weighted stochastic mesh algorithm(Oxford [u.a.] : Wiley-Blackwell, 2020) Belomestny, Denis; Kaledin, Maxim; Schoenmakers, JohnIn this paper, we propose a Weighted Stochastic Mesh (WSM) algorithm for approximating the value of discrete- and continuous-time optimal stopping problems. In this context, we consider tractability of such problems via a useful notion of semitractability and the introduction of a tractability index for a particular numerical solution algorithm. It is shown that in the discrete-time case the WSM algorithm leads to semitractability of the corresponding optimal stopping problem in the sense that its complexity is bounded in order by (Formula presented.) with (Formula presented.) being the dimension of the underlying Markov chain. Furthermore, we study the WSM approach in the context of continuous-time optimal stopping problems and derive the corresponding complexity bounds. Although we cannot prove semitractability in this case, our bounds turn out to be the tightest ones among the complexity bounds known in the literature. We illustrate our theoretical findings by a numerical example. © 2020 Wiley Periodicals LLC
- ItemA regularity structure for rough volatility(Oxford [u.a.] : Wiley-Blackwell, 2019) Bayer, Christian; Friz, Peter K.; Gassiat, Paul; Martin, Jorg; Stemper, BenjaminA new paradigm has emerged recently in financial modeling: rough (stochastic) volatility. First observed by Gatheral et al. in high-frequency data, subsequently derived within market microstructure models, rough volatility captures parsimoniously key-stylized facts of the entire implied volatility surface, including extreme skews (as observed earlier by Alòs et al.) that were thought to be outside the scope of stochastic volatility models. On the mathematical side, Markovianity and, partially, semimartingality are lost. In this paper, we show that Hairer's regularity structures, a major extension of rough path theory, which caused a revolution in the field of stochastic partial differential equations, also provide a new and powerful tool to analyze rough volatility models.
- ItemOption pricing in the moderate deviations regime(Oxford [u.a.] : Wiley-Blackwell, 2017) Friz, Peter; Gerhold, Stefan; Pinter, ArpadWe consider call option prices close to expiry in diffusion models, in an asymptotic regime (“moderately out of the money”) that interpolates between the well-studied cases of at-the-money and out-of-the-money regimes. First and higher order small-time moderate deviation estimates of call prices and implied volatilities are obtained. The expansions involve only simple expressions of the model parameters, and we show how to calculate them for generic local and stochastic volatility models. Some numerical computations for the Heston model illustrate the accuracy of our results.