Miracle-dz/UniFAR-FTUs huggingface dataset:
New high-pressure phase relations in CaSnO3

Abstract High-pressure phase stabilities of the CaSnO3 system were investigated using density functional theory static lattice energy calculations. We have identified six phase changes in this system: perovskitepost-perovskite, post-perovskite-B2+cotunnite in CaSiO3, B1-B2 in CaO, cassiterite-pyrite, pyriteorthorhombic-I, and orthorhombic-I-cotunnite in SnO2. Our results demonstrate a new high-pressure phase sequence of perovskite → post-perovskite → B2 + cotunnite. The post-perovskite transformation occurs at ~12 GPa with ~2.5% volume reduction and then it decomposes into the oxide mixture of B2 CaO and cotunnite SnO2 at ~70 GPa with 8.1% volume reduction. The results also predict a few percent bulk velocity variations across these phase changes.
One‐pot synthesis of a few nanocomposites with poly(N‐vinylcarbazole) and CdS, Ag, Pd50–Ag50, and Pt50–Ru50 nanoparticles with γ irradiation

The one-pot synthesis of nanocomposites of a conductive poly(N-vinylcarbazole) (PVK) with CdS, Ag, Pd50–Ag50, and Pt50–Ru50 nanoparticles was performed with γ irradiation in a tetrahydrofuran–water mixture (3/1 vol %). For comparison, the CdS, Ag, Pd50–Ag50, and Pt50–Ru50 nanoparticles were also prepared with γ irradiation with polyvinylpyrrolidone as a stabilizer. Ultraviolet–visible spectroscopy, transmission electron microscopy, X-ray diffraction analysis, and photoluminescence spectroscopy were used for the characterization of CdS, Ag, Pd50–Ag50, and Pt50–Ru50 nanoparticles and nanocomposites of PVK with CdS, Ag, Pd50–Ag50, and Pt50–Ru50 nanoparticles. The absorption spectrum of the CdS-nanoparticle-based composite revealed a quantum confinement effect. The emission spectrum of the composite with CdS nanoparticles and PVK indicated the block effect of PVK for surface recombination. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 100: 1809–1815, 2006
Wide bandgap Cu(In,Ga)Se2 solar cells with improved energy conversion efficiency

We report on improvements to the energy conversion efficiency of wide bandgap (Eg > 1.2 eV) solar cells on the basis of CuIn1−xGaxSe2. Historically, attaining high efficiency (>16%) from these types of compound semiconductor thin films has been difficult. Nevertheless, by using (a) the alkaline‐containing high‐temperature EtaMax glass substrates from Schott AG, (b) elevated substrate temperatures of 600–650 °C, and (c) high vacuum evaporation from elemental sources following National Renewable Energy Laboratory's three‐stage process, we have been able to improve the performance of wider bandgap solar cells with 1.2 < Eg < 1.45 eV. The current density–voltage (J–V) data we present includes efficiencies >18% for absorber bandgaps of ~1.30 eV and efficiencies of ~16% for bandgaps up to ~1.45 eV. In comparing J–V parameters in similar materials, we establish gains in the open‐circuit voltage and, to a lesser degree, the fill factor value, as the reason for the improved performance. The higher voltages seen in these wide gap materials grown at high substrate temperatures are due to reduced recombination. We establish the existence of random and discrete grains within the CIGS absorbers that yield limited or no generation/collection of minority carriers. We also show that interfacial recombination is the main mechanism limiting additional enhancements to open‐circuit voltage and therefore performance. Solar cell results, absorber materials characterization, and experimental details and discussion are presented. Copyright © 2012 John Wiley & Sons, Ltd.
Outer-sphere redox reactions of [CoIII(NH3)5(HxPyOz)](m– 3)– complexes. A temperature- and pressure-dependence kinetic study on the influence of the phosphorus oxoanions

Outer-sphere redox reactions between [CoIII(NH3)5(HxPyOz)](m– 3)–(HxPyOzm–= H2PO2–, H2PO3–, HPO32–, HP2O73–, P2O74–, γ-H2P3O103–, -HP3O104–, -P3O105–, β-H3P3O102–, -H2P3O103–, -HP3O104– or -P3O105–) and [Fe(CN)6]4– have been studied as a function of pH, HxPyOzm– oxoanion, temperature and pressure. The effect of the oxidation state, size, geometry and extent of protonation of the HxPyOzm– oxoanions on the precursor-complex formation constant, electron-transfer rate constant, and thermal and pressure activation parameters has been investigated. The values obtained indicate that all the precursor-complex formation equilibrium constants, KOS, are the same except for the non-linear β-H3P3O102–, -H2P3O103–, -HP3O104– and -P3O105– oxoanions, where the values are consistently larger, indicating that hydrogen bonding plays a very important role. The electron-transfer rate constant for a series of [Co(NH3)5(HxPyOz)](m– 3)–, with linear oxoanions, increases on decreasing the negative charge on the complex {k308= 0.73 × 10–3 and (8.5–11)× 10–3 s–1 for the γ-[Co(NH3)5(P3O10)]2– and γ-[Co(NH3)5(H2P3O10)], respectively}. For the non-linear β-P3O105– oxoanions a threshold is observed when the external oxo groups are protonated {k308= 20 × 10–3 for β-[Co(NH3)5(H3P3O10)]+ species and 0.84 × 10–3 s–1 for β-[Co(NH3)5(H2P3O10)], -[Co(NH3)5(HP3O10)]– or -[Co(NH3)5(P3O10)]2–}. The ΔH‡ values are within the range expected, while those of ΔS‡ and ΔV‡ vary considerably with the extent of protonation of the phosphorus oxoanionic ligands, being 13 J K–1 mol–1 and + 36 cm3 mol–1 and 69 J K–1 mol–1 and + 13 cm3 mol–1, respectively for the [Co(NH3)5(HP2O7)]–[Co(NH3)5(P2O7)]– couple. The ΔV‡ values depend strongly on the oxo group distribution of the oxophosphorus ligand {+ 13 and + 32 cm3 mol–1 for β- and γ-[Co(NH3)5(P3O10)]2–, respectively}. Hydrogen bonding and solvent reorganization play a key role in the interpretation of the activation parameters.
Low-Temperature Microwave Plasma Etching of Crystalline Silicon

Low-temperature microwave plasma etching of crystalline silicons is described. Vertical and lateral etch rates of Si and the selectivities of Si to photoresist are measured as a function of water temperature within a range of -150 to +30° for SF6, and (3) the selectivities become high at low temperatures (e.g., >40 at -90°C and 2.3 Pa). This etching enables highly anisotropic Si etching at a high etch rate and high selectivity with fluoride gases. Less-polymerizing-type gases can provide high etch rates. An etching model of the ion-bombarded surfaces in discussed. The model implies that separate control of the side wall reaction and the horizontal surface reaction is archived by the low-temperature etching.
Clathrate‐hydrate formation by water spraying onto a porous metal plate exuding a hydrophobic liquid coolant

A novel technique for producing a clathrate hydrate from a gaseous guest substance was devised and experimentally tested. This technique employs a horizontally oriented spray nozzle and a vertically oriented porous metal plate placed in opposition to each other in a guest-gas phase. Water is sprayed onto the plate while a precooled hydrophobic liquid coolant is seeping out of the plate to form a continuous film flowing down the plate surface. The coolant film is expected to sweep the heat released by hydrate formation away from the plate surface and, at the same time, to prevent the hydrate crystals from agglomerating on the surface thereby hindering the successive contact of the water spray with the coolant. A series of experiments has been performed to reveal the behavior of hydrate formation in the above scheme of guest-gas/water/coolant contact operations. © 2009 American Institute of Chemical Engineers AIChE J, 2009
Depolarized light scattering of heavy water, and hydrogen bond dynamics

We measured the depolarized Rayleigh scattering of heavy water from 70°C down to -13°C. The spectra were analysed and show a low frequency component. Both the intensity and the width of this line are temperature dependent. The characteristic time associated with the width has an Arrhenius behaviour with an activation energy of 2·5 kcal mol-1. The intensity has a quadratic shape with a maximum around 50°C. We interpret these results as a manifestation of the hydrogen-bond dynamics and propose a mechanism for the breaking of H-bonds through the librational movements. Comparisons are made with theoretical models and molecular dynamics simulations.
Quantification of the low temperature infrared vibrational modes from interstitial oxygen in silicon

Accurate conversion factors are obtained to determine the concentration of interstitial oxygen in silicon from the low temperature local vibrational mode absorption at 1136, 1128 and 1205 cm−1 for different resolutions and apodization functions. The absorption spectra at 6 K were fitted with fit functions in order to extract the amplitudes of interest in an accurate and reproducible manner. The ratio of the amplitude at room temperature to the low temperature amplitude then gives the conversion factors for 6 K. Based on a phonon model [H. Yamada-Kaneta Materials Science Forum, edited by G. Davies and M. H. Hazare (Trans Tech, Aveiro, 1997), 258–263, p. 355] and on occupation statistics the use of the conversion factors is extended to temperatures as high as 100 K, taking into account the broadening of the absorption peaks and the variation in the occupation of the different excited states.
IN SEARCH OF FRICTION LAWS FOR VEGETATEDFLOW WITHIN 2D LARGE-SCALE APPLICATIONS

As restoration and conservation of the ecosystem in federal inland waterways in Germany are of growing importance, vegetation in open-channels plays an increasingly important role. New approaches to estimate the vegetation effects on the flow within large-scale applications are needed, e.g. for flood protection planning and for more nature-friendly designs of inland waterways. In an ongoing research at the BAW, five promising approaches to estimate the flow resistance due to vegetation are examined with numerical simulations of experimental data using Telemac-2D software first and are then analytically investigated. The essence of the governing physics of vegetated open-channel flows is given first with a focus on the most challenging issue of this subject, i.e. vegetation flexibility, which can significantly alter the flow resistance due to vegetation. In the numerical simulations, the approaches of Järvelä (2004), Whittaker et al. (2015) and Baptist et al. (2007) performed best and showed good agreement with the measured values from low to high vegetation friction. The analytical investigation was performed using three vegetation types. Results showed similar behaviors of the friction coefficients estimated by the approaches in the case of non-submerged vegetation, but widely dissimilar behaviors in the case of submerged vegetation. Also, results showed high sensitivity of the Järvelä (2004) and Whittaker et al. (2015) approaches to the empirical flexibility parameters used. In terms of largescale applications the leaf-area index seems to be a suitable parameter to determine the vegetation density.
Filter Clogging by Bimodal Aerosol

Pressure drop evolution during filtration of bimodal aerosol was studied experimentally. A low-pressure drop pre-filter upstream of the actual collection filter was demonstrated to significantly reduce the pressure drop growth rate, when the aerosol is dominated by coarse particles. The pressure drop evolution during depth-filtration, that took place mainly in a pre-filter, could be predicted by adding up the separately measured contributions from the unimodal fine and coarse aerosols. However, the cake filtration (pre-filter was not used) of coarse particles alone resulted in a faster clogging rate as compared to the same amount of coarse particles accompanied with fine particles (mass ratio coarse:fine 3:1). Apparently, fine particles deposited on coarse particles affect their surface properties and thus the porosity of the cake formed.
Laser-driven switching dynamics in phase change materials investigated by time-resolved X-ray absorption spectroscopy

Time-dependent X-ray absorption spectroscopy at the Ge L3 edge is used to study the optical switching dynamics of epitaxial phase change materials grown on Si(111) membranes. Small differences between the static absorption spectra of the crystalline and laser-amorphized phase of GeTe are observed. Furthermore, a new approach for pump-probe studies on phase change materials is presented. However, no time-dependent change in the X-ray absorption > 0.1% has been detected so far. This is mainly attributed to sample deterioration at 3 kHz pump-probe rates.
Low Driving Voltage Amorphous In–Ga–Zn–O Thin Film Transistors with Small Subthreshold Swing Using High-κ Hf–Si–O Dielectrics

Low driving voltage thin-film transistors (TFTs) were fabricated by integrating both a sputtered high-κ Hf–Si–O gate dielectric and an amorphous In–Ga–Zn–O active layer on a silicon substrate. The influence of postdeposition annealing (PDA) temperature for the Hf–Si–O gate dielectric on device performance was investigated. The 400 °C PDA Hf–Si–O/a-In–Ga–Zn–O TFT exhibits a low threshold voltage of 0.005 V, a small subthreshold swing (SS) of 0.11 V·dec-1, a high saturation mobility of 12.7 cm2·V-1·s-1, and an acceptable current ratio of 3×105. The low threshold voltage and small SS are attributed to the excellent gate control ability which allows the device to operate at 2.0 V for low power applications.
Magnesium Isotope Fractionation in Cation-Exchange Chromatography

Abstract Band displacement chromatography of magnesium has been carried out successfully for the purpose of magnesium isotope separation by using a strongly acidic cation-exchange resin and the strontium ion as the replacement ion. A small but definite accumulation of the heavier isotopes (25Mg, 26Mg) has been observed at the front parts of the magnesium chromatograms. The heavier isotopes have been fractionated preferentially into the solution phase. The single-stage separation factors have been calculated for the 25Mg/24Mg and 26Mg/24Mg isotopic pairs at 25[ddot]C. The reduced partition function ratios of magnesium species involved in the present study have been estimated.
Kinetics of water vapour sorption by drum‐dried banana

The kinetics of water vapour sorption of drum-dried banana was determined at several conditions of temperature (10, 22, 30 and 40 o C) and relative humidity (31-97%). For relative humidities below 75% there was a large reduction in sorption rate for a small amount of water absorbed. This type of product presents a very porous structure
Application of Model-free Methods for Analysis of Combustion Kinetics of Coals with Different Ranks

Abstract Model-free kinetic approaches were employed to investigate the combustion kinetics of coals with different ranks, namely, lignite, bituminous coal, and anthracite. The experimental data were provided under non-isothermal conditions at different heating rates in the range of 2–25°C min−1. The activation energy values were estimated by two model-free methods, that is, Ozawa-Flynn-Wall and Kissinger-Akahira-Sunose methods. Slightly higher activation energy values were obtained by Ozawa-Flynn-Wall method at a wide range of conversion extent. Variation of activation energy was found to be comparably more significant for lower rank lignite (between 44.82 and 287.56 kJ mol−1) while less significant for higher rank bituminous coal (between 101.97 and 155.64 kJ mol−1) and anthracite (between 106.04 and 160.31 kJ mol−1).
Efeito da aplicação de película de fécula de mandioca na conservação pós-colheita de tomate

This work was made to evaluate the fruit properties and postharvest life of tomato (Lycopersicon esculentum Mill) coated with cassava starch film. After the selection the fruits were dipped in 2 and 3% starch suspensions, dried naturally and stored in room conditions. The average temperature and relative humidity for the period varied respectively among 16-21oC and 51-91%. The experiment was compound of a no-destructive group (evaluation of weight loss). Another group was the destructive group (evaluation of pH, texture and total soluble solids). Samples of the three groups were taken in 0, 4, 8, 11, 14, 18 and 22 days. The experiment was carried out in a completely randomized statistical design, with 5 replications for the control group and 3 replications for the destructive group. It was founded that the treatments didn't influence significantly the weight loss and the texture. However the fruits coated with 3% starch suspension presented better aspect at the end of the experiment than control and of the fruits immersed in the 2%. The coate effect on tomato fruits was not harzard, only esthetic.
Quantities of phosphorus fertilizer required to raise the soil test value

To calculate nutrient requirement it is necessary to know how much of that nutrient must be applied to overcome any buffering effects and raise the test value to a desired level. A glasshouse study was conducted on a wide range of Natal soils to establish this information for phosphorus. The upper 200-mm depth at 54 sites was sampled. Soils varied greatly in texture (4–83% clay), organic carbon (0.2–9.2%) and clay mineralogy (kaolinitic-sesquioxic through to illitic and smectitic). Soil from each site was treated with four levels of P and taken through a number of wetting and drying cycles over a six-week period. Analysis for P using the Ambic, Bray no. 1 and Truog extradants showed that the quantity of applied P (kg ha−1) required to raise the soil test value by a unit amount (1 mg L−1), i.e. the P requirement factor, varied greatly for the different soils. The range in values for these three extradants was 2.5–37.9; 2.0–17.7; and 2.3–30.3, respectively. The level of P sorption was found to be strongly r.
Promoting Library Services in the Social Media Era: Exploring Use, Objectives, Challenges and Perceived Influence

This study examined the use of mediated platforms for creating awareness regarding the services in libraries in Nigeria. The study was guided by five objectives. Descriptive survey was used as the design of the study. Both librarians (n=300) and library users (n=300) were sampled for the study. The questionnaire served as the instrument for data collection. Descriptive analysis like simple percentages, mean and standard deviation were used for the study. It was found that there is low extent of application of social media for the purposes of increasing public awareness of services in libraries. Also, seven objectives of applying social media to enhance awareness of services in libraries were found. Seven strategies for using social media to promote library services were also reported. Six obstacles to the use of social media to promote library services were also reported. The perceived influence of exposure to social media messages promoting library services were also reported. The implications of these results on library practice and scholarship have been explored. Based on the results of the study, the researchers recommends, among others, the utilization of social media to promote library services.
Uso de quitosana e embalagem plástica na conservação pós-colheita de pêssegos 'Douradão'

The effects of chitosan treatment and modified atmosphere packaging (MAP) on shelf life of peaches cv. Douradao were evaluated. Chitosan, a natural biodegradable compound, has been proved to control numerous post harvest diseases. It extends the shelf life of treated fruit by reducing water loss. Storage life of peaches has been extended using MAP during cold storage. Fruits were dipped in 1% chitosan solution. One group of fruits was sealed in polyethylene bags. Peaches were stored at 3oC and 90% RH. Fruits were transferred to room temperature for 3 days to ripen. Quality parameters (soluble solids, acidity, ratio, firmness, pulp and skin color) and losses (weight, wooliness incidence and rots) were determined. MAP reduced fruit weight loss during storage but increased decay incidence at room temperature. Chitosan treatment was effective in brown rot reduction however showed detrimental effect on fruit appearance. Treated and untreated peaches showed woolliness after 21 days of cold storage plus 3 days at room temperature. The desirable quality was retained up to 14 days of storage.
A Review of Soil Nitrogen Mineralization as Affected by Water and Salt in Coastal Wetlands: Issues and Methods

The availability of soil nutrients can have significant influence on water quality and wetland productivity. Nitrogen mineralization is the important process transferred from organic nitrogen to plant-available inorganic forms by soil animals and microorganism. Soil nitrogen mineralization processes in coastal wetlands will be greatly impacted by the significant changes of soil water and salt conditions caused by global climate change in the future. However, further studies concerning the effects of water and salt on soil nitrogen mineralization is still needed. The influences of other soil physical–chemical properties and plant community on soil nitrogen mineralization processes are also concluded. The influencing mechanism of soil nitrogen mineralization can be explained using the laboratory incubation, whereas the in situ incubation can contribute to reflecting the real nitrogen mineralization information in the field. The laboratory and in situ incubation methods combined with 15N tracing-isotope technique should be combined and applied to better reflect and explain soil nitrogen mineralization processes. Moreover, the applications of modern molecular biology techniques are also very necessary to quantitatively and accurately study nitrogen mineralization.
Coastal Antarctic aerosol: the seasonal pattern of its chemical composition and radionuclide content

At the German Antarctic research station (70°S, 8°W), long-term observations of the chemical and radio-chemical composition of atmospheric particulate matter were started in spring 1983. Based on the analysis of high-volume aerosol filters sampled continuously for nearly 5 years, concentration records of the following aerosol components are presented here : (a) major ions (sea-salt, sulfate, nitrate); (b) cosmogenic 7 Be and terrigeneous 210 Pb; (c) trace elements (crustal Mn, heavy metal Pb). All species mentioned, with the exception of stable and radioactive Pb, show annual cycles. The maximum occurs in austral summer for 7 Be, sulfate, and crustal Mn. For sea-salt, however, the maximum is found in local autumn, and for nitrate in local spring. In local summer, the enhanced 7 Be to 210 Pb ratio is attributed to intenser large scale vertical mixing. The pattern of total sulfate seems to be controlled by the nss-sulfate production from marine organo-sulfur species during local summer, whereas in polar night, nss-sulfate shows very low or even negative concentration. Crustal aerosol (indicated by Mn) shows a mean summer contribution of 16 ng/SCM which exceeds the mean winter level by more than a factor of two. Based on a mean wash-out ratio of 0.27. 10 6 observed for 210 Pb bearing aerosol particles, a Pb snow concentration of 3.0 pg/g is deduced from the mean air concentration of 11 pg/SCM. DOI: 10.1111/j.1600-0889.1988. tb00114.x
The Conference

Of the various causes of the collapse of the Habsburg monarchy, nationalism was certainly one of the most important. In an age of integral nationalism like the latter part of the nineteenth and the early part of the twentieth century it proved extremely difficult for a multinational empire like the Austro-Hungarian monarchy to survive. Not only did the Habsburgs face the question of how to retain the loyalty of a dozen different nationalities within the framework of a single empire, but they also had to reconcile ever increasing differences between the Slavs and the Germans and Magyars and between the Germans and the Magyars themselves. In the end, the Habsburg government failed to meet the challenge.