930 research outputs found

    Black hole shadow of a rotating polytropic black hole by the Newman--Janis algorithm without complexification

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    In this work, starting from a spherically symmetric polytropic black hole, a rotating solution is obtained by following the Newman--Janis algorithm without complexification. Besides studying the horizon, the static conditions and causality issues of the rotating solution, we obtain and discuss the shape of its shadow. Some other physical features as the Hawking temperature and emission rate of the rotating polytropic black hole solution are also discussed.Comment: 9 pages, 2 figures, some references adde

    Multiscale Modelling and Simulation of Advanced Battery Materials

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    Development of efficient strategies for the rational design of materials involved in the production and storage of renewable energy is essential for accelerating the transition to a low-carbon economy. To contribute to this goal, we propose a novel workflow for the assessment and optimization of battery materials. The approach effectively combines quantum and atomistic modelling/simulations, enhanced by efficient sampling, Bayesian parameterization, and experimental information. It is implemented to study prospective materials for lithium and sodium batteries

    Facile kinetics of Li-ion intake causes superior rate capability in multiwalled carbon nanotube@TiO2 nanocomposite battery anodes

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    Nanotechnology produces hybrids with superior properties than its individual constituents. Here MWCNT@TiO2 composites have been synthesized by controlled hydrolysis of titanium isopropoxide over MWCNT, to be incorporated into Li-ion battery electrodes. Outstanding rate capability of the coated nanotubes is observed in comparison to pristine TiO2. Specific storage capacity as high as 250 mAh g−1 is achieved for the nanocomposite electrode which doubles that encountered for TiO2-based anodes. The mechanism explaining the enhancement in power performance has been revealed by means of electrochemical impedance methods. Although both pristine TiO2 and MWCNT@TiO2 would potentially exhibit comparable specific capacity, the charge transfer resistance for the latter is reduced by a factor 10, implying a key role of MWCNTs to favor the interfacial Li+ ion intake from the electrolyte. MWCNT efficiently provides electrons to the nanostructure through the Ti–C bond which assists the Li+ ion incorporation. These findings provide access to the detailed lithiation kinetics of a broad class of nanocomposites for battery applications

    Unveiling Interfacial Li-Ion Dynamics in Li7La3Zr2O12/PEO(LiTFSI) Composite Polymer-Ceramic Solid Electrolytes for All-Solid-State Lithium Batteries

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    Unlocking the full potential of solid-state electrolytes (SSEs) is key to enabling safer and more-energy dense technologies than today’s Li-ion batteries. In particular, composite materials comprising a conductive, flexible polymer matrix embedding ceramic filler particles are emerging as a good strategy to provide the combination of conductivity and mechanical and chemical stability demanded from SSEs. However, the electrochemical activity of these materials strongly depends on their polymer/ceramic interfacial Li-ion dynamics at the molecular scale, whose fundamental understanding remains elusive. While this interface has been explored for nonconductive ceramic fillers, atomistic modeling of interfaces involving a potentially more promising conductive ceramic filler is still lacking. We address this shortfall by employing molecular dynamics and enhanced Monte Carlo techniques to gain unprecedented insights into the interfacial Li-ion dynamics in a composite polymer-ceramic electrolyte, which integrates polyethylene oxide plus LiN(CF3SO2)2 lithium imide salt (LiTFSI), and Li-ion conductive cubic Li7La3Zr2O12 (LLZO) inclusions. Our simulations automatically produce the interfacial Li-ion distribution assumed in space-charge models and, for the first time, a long-range impact of the garnet surface on the Li-ion diffusivity is unveiled. Based on our calculations and experimental measurements of tensile strength and ionic conductivity, we are able to explain a previously reported drop in conductivity at a critical filler fraction well below the theoretical percolation threshold. Our results pave the way for the computational modeling of other conductive filler/polymer combinations and the rational design of composite SSEs.-Juan de la Cierva grant IJC2018-037214-I, -PID2019-106519RB-I00, as -HPC-Europa3 grant HPC17ERWTO -AI in BCAM, EXP. 2019/004

    Anaerobic digestion of whole-crop winter wheat silage for renewable energy production

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    With biogas production expanding across Europe in response to renewable energy incentives, a wider variety of crops need to be considered as feedstock. Maize, the most commonly used crop at present, is not ideal in cooler, wetter regions, where higher energy yields per hectare might be achieved with other cereals. Winter wheat is a possible candidate because, under these conditions, it has a good biomass yield, can be ensiled, and can be used as a whole crop material. The results showed that, when harvested at the medium milk stage, the specific methane yield was 0.32 m3 CH4 kg–1 volatile solids added, equal to 73% of the measured calorific value. Using crop yield values for the north of England, a net energy yield of 146–155 GJ ha–1 year–1 could be achieved after taking into account both direct and indirect energy consumption in cultivation, processing through anaerobic digestion, and spreading digestate back to the land. The process showed some limitations, however: the relatively low density of the substrate made it difficult to mix the digester, and there was a buildup of soluble chemical oxygen demand, which represented a loss in methane potential and may also have led to biofoaming. The high nitrogen content of the wheat initially caused problems, but these could be overcome by acclimatization. A combination of these factors is likely to limit the loading that can be applied to the digester when using winter wheat as a substrat

    Dynamics of executive functions, basic psychological needs, impulsivity, and depressive symptoms in american football players

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    Executive functions play an important role in sports since the ability to plan, organize, and regulate behavior to reach an objective or goal depends on these functions. Some of the components of executive functions, such as inhibition of impulsive behavior and cognitive flexibility, are necessary for contact sports (e.g., American football) to carry out successful plays on the sports field. Executive functions have been studied in the sporting environment, but their relationship with the athletes' basic psychological needs (BPN), such as autonomy, competence, and relatedness, remains unexplored. Due to the importance of motivational processes over cognitive functions and in the generated adaptive results in athletes, this relationship should be taken into account. Therefore, the aim of this study was to analyze and compare executive functioning and psychological need thwarting overimpulsivity and psychological distress, before and after the season (4 months) in 28 undergraduate football players. Neuropsychological and psychological tests were applied. The results showed that there was an improvement in inhibition and planning at the end of the season. There was also an increase in attention and motor impulsiveness, and a decrease in need thwarting at the end of the season. A positive association between executive function, impulsiveness, psychological needs, and affective symptoms were also found. Our findings reveal the dynamics of sport-related psychological variables throughout the sport season in American football players, the association of these for the achievement of sport success, and the importance of encouraging proper management of emotions

    Effect of Bay Leaves Essential Oil Concentration on the Properties of Biodegradable Carboxymethyl Cellulose-Based Edible Films

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    Films containing bay leaves essential oils (BEOs) were prepared and evaluated for edible packaging applications. The BEOs were extracted by the Soxhlet method, using ethanol or methanol as organic solvent. Then, films were prepared by “solvent casting” technique using carboxymethyl cellulose (CMC), with different concentrations for the as-obtained BEOs (from 1% to 30% wt.). The resulting films were characterized to evaluate their physical (thickness, moisture content, water solubility and water vapor permeability), optical (transparency and UV-light barrier), mechanical (tensile strength and elongation at break), antioxidant and antimicrobiological properties Attractive films were obtained for food active packaging applications, as they presented a high antioxidant activity (up to 99%) and total phenolic content, and good barrier properties against water vapor (50% improved of CMC) in the case of CMC-film containing 15% wt. ethanolic extract. Related to optical properties, UV-light barrier effect was increased (almost 100% of protection) avoiding typical lipids oxidation in food systems. High water solubility (93%) was also found, ensuring also their biodegradability. Moreover, it was demonstrated that developed films inhibit microorganisms’ growth (Escherichia coli and Candida glabrata), this avoiding an early food oxidation

    Mechanochemical Preparation of Novel Polysaccharide-Supported Nb2O5 Catalysts

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    Polysaccharides extracted from natural sources can be used as starting material for the preparation of nanoparticle supported composites. A novel family of bio-nanocomposites was mechanochemically synthesized by using niobium oxide and enzymatically produced polysaccharides. The structural, textural and surface properties of nanomaterials, were determined by X-Ray diffraction (XRD), nitrogen adsorption-desorption (N_2 porosimetry), pulse chromatography, infrared spectroscopy (ATR-IR) and dynamic light scattering (DLS). Selective oxidation of isoeugenol to vanillin was carried out to demonstrate the catalytic activity of the Nb-polysaccharides nanocomposites. Interestingly, most of our material showed high conversion of isoeugenol (60–70%) with selectivity to vanillin over 40%. The optimum conversion and selectivity were achieved with a reaction time between 8 and 24 h

    Bioactive pectic polysaccharides from bay tree pruning waste: Sequential subcritical water extraction and application in active food packaging

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    The potential isolation of bio-active polysaccharides from bay tree pruning waste was studied using sequential subcritical water extraction using different time-temperature combinations. The extracted polysaccharides were highly enriched in pectins while preserving their high molecular mass (10–100 kDa), presenting ideal properties for its application as additive in food packaging. Pectin-enriched chitosan films were prepared, improving the optical properties (=95% UV-light barrier capacity), antioxidant capacity (?95% radical scavenging activity) and water vapor permeability (=14 g·Pa-1·s-1·m-1·10-7) in comparison with neat chitosan-based films. Furthermore, the antimicrobial activity of chitosan was maintained in the hybrid films. Addition of 10% of pectins improved mechanical properties, increasing the Young's modulus 12%, and the stress resistance in 51%. The application of pectin-rich fractions from bay tree pruning waste as an additive in active food packaging applications, with triple action as antioxidant, barrier, and antimicrobial has been demonstrated.Authors would like to thank the Spanish Ministry of Science and Innovation (Ramon y Cajal contract RYC-2015-17109) and Universidad de Cordoba, ´ Spain (Predoctoral Grant 2019) for the financial support during this work

    2I-SBRT leveraging eXaCradle

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