Miracle-dz/UniFAR-FTUs huggingface dataset:
Threshold pressure phenomena in porous media

Threshold displacement pressures are needed to determine how much over-pressure can be used in storing natural gas. An experimental technique for determining threshold pressures by displacing water with gas from samples saturated with water is presented. Threshold pressures for 8 low permeability samples were measured. Threshold pressure data obtained in this work plus data on higher permeability samples reported in the literature are correlated with porosity, permeability, surface tension, and formation resistivity factor. Mercury injection pressures were also measured and correlated with air- water threshold pressures. A study of the effect of time on threshold pressures show that they are independent of time. An aerial photography of gas emerging from the top of a core shortly after its threshold pressure has been exceeded shows that the gas bubbles are uniformly distributed across the face of the core. Channeling will occur, however, when an increased gas phase permeability is reached. A porous medium can be resealed after its threshold pressure has been reached, provided it has not been desaturated below a fixed saturation. (18 refs.)
Low Temperature Surface Passivation of Black Silicon Solar Cells by High-Pressure O2 Thermal Oxidation

A simple low temperature surface passivation method based on high pressure O2 thermal oxidation was proposed for black silicon solar cells. With this method, the nanowire textured surface of the black silicon solar cells can be effectively passivated at an extremely low temperature of ∼450 ◦ C, and a better performance was achieved compared with that treated with the conventional high temperature surface passivation. The corresponding mechanism was discussed based on current-voltage characteristics and external quantum efficiency measurements. Results demonstrate that the adverse effects associated with high temperature surface passivation can be effectively suppressed by this low temperature surface passivation process.
Correlation of Antimicrobial Activities of Various Essential Oils and Their Main Aromatic Volatile Constituents

Abstract The pure aromatic volatiles p-cymene, carvacrol, eugenol and thymol as well as commercial essential oils of Cinnamomum zeylanicum, Origanum vulgare, Pimenta dioica, Pimenta racemosa, Satureja hortensis, Syzygium aromaticum, Thymus vulgaris and Trachyspermum ammi were investigated concerning antimicrobial activities. Therefore, these samples and, as reference substances, synthetic antibiotics and the natural antimicrobial components carveol, m-, o- and p-cresol were tested against strains of two Gram-positive and five Gram-negative bacteria and the yeast Candida albicans using agar dilution and agar diffusion methods. The analysis of the chemical composition of the essential oils by means of GC and GC/MS focusing on aromatic volatiles produced the following results: C. zeylanicum: eugenol (74.9%); O. vulgare: carvacrol (66.1%) and p-cymene (9.2%); P. dioica: eugenol (76.0%); P. racemosa: eugenol (45.6%); S. hortensis: carvacrol (41.5%), p-cymene (10.7%) and thymol (8.7%); S. aromaticum: eugenol (76.8%); T. vulgaris: thymol (43.4%), p-cymene (23.5%) and carvacrol (4.1%); T. ammi: thymol (43.7%) and p-cymene (17.7%). All investigated aromatic volatiles and essential oils exhibited strong effects against the yeast Candida albicans and medium to strong antimicrobial activity against the Gram-positive bacteria Staphylococcus aureus and Enterococcus faecalis and the Gram-negative bacteria Escherichia coli, Klebsiella pneumoniae, Proteus vulgaris, and Salmonella sp. , whereas weaker effects were observed against Pseudomonas aeruginosa.
A discrete solvent reaction field model within density functional theory

In this work we present theory and implementation for a discrete reaction field model within Density Functional Theory (DFT) for studying solvent effects on molecules. The model combines a quantum mechanical (QM) description of the solute and a classical description of the solvent molecules (MM). The solvent molecules are modeled by point charges representing the permanent electronic charge distribution, and distributed polarizabilities for describing the solvent polarization arising from many-body interactions. The QM/MM interactions are introduced into the Kohn–Sham equations, thereby allowing for the solute to be polarized by the solvent and vice versa. Here we present some initial results for water in aqueous solution. It is found that the inclusion of solvent polarization is essential for an accurate description of dipole and quadrupole moments in the liquid phase. We find a very good agreement between the liquid phase dipole and quadrupole moments obtained using the Local Density Approximation and r.
Transesterifications using a hydrocalumite synthesized from waste slag: an economical and ecological route for biofuel production

Blast furnace slag (BFS), a high volume byproduct resulting from iron-making processes, was used as a low-cost and abundant precursor for preparing a hydrocalumite, and the thus prepared slag-made hydrocalumite and its derivatives were applied for transesterifications of esters including triglycerides. In the transesterification of n-ethyl butyrate, calcined samples provided higher catalytic activities than those of the as-synthesized hydrocalumite due to the interfusion of slag-derived impurity elements, such as Fe and Mn, which act as catalyst promoters. Furthermore, the catalyst calcined at 800 °C in air worked as an efficient catalyst for the transesterification of soybean oil with methanol, affording up to 97% yield of fatty acid methyl esters (FAME) after 6 h under relatively moderate reaction conditions (i.e., methanol/soybean oil = 12, reaction temperature = 60 °C, use of 1 wt% catalyst), and its catalytic performance was reproduced even after air-exposure for 1 day. It is believed that the slag-made hydrocalumite can replace existing solid base catalysts as a low-cost alternative for biodiesel production and potentially contribute to the sustainable chemical processes in an economical and ecological way.
Theoretical Study of the Alkaline Hydrolysis of an Oxo-β-Lactam Structure

Various potential mechanisms for the alkaline hydrolysis of an oxo-β-lactam in the gas phase (Scheme 1) were examined in the light of ab initio data obtained at the RHF/6-31+G*//RHF/6-31+G* and MP2/6-31+G*//MP2/6-31+G* levels. The influence of the solvent was also examined from IPCM (isodensity polarizable continuum model) computations at the RHF/6-31+G* level. In penicillins and cephalosporins, alkaline hydrolysis begins with a nucleophilic attack on the carbonyl group of the β-lactam ring, which is followed by cleavage of the C7−N4 bond. In the oxo-β-lactam studied, the process additionally involves cleavage of the C7−O6 bond in the ring. In fact, this cleavage is subject to a very small activation energy, as little as 0.21 kcal/mol versus the 14.15 kcal/mol for the typical cleavage energy (based on MP2/6-31+G*//MP2/6-31+G* calculations) for the C7−N4 bond. In addition, the hydrolysis end products are more stable than those resulting from the typical cleavage. Consequently, the alkaline hydrolysis invol.
Nitrate Leaching in Pepper Cultivation with Organic Manure and Supplementary Additions of Mineral Fertilizer

Abstract Nitrate leaching frequently is attributed to the excessive application of mineral nitrogen fertilizers and also to the organic matter incorporated in the soil. A lysimeter experiment was conducted in a greenhouse to evaluate nitrate leaching and pepper productivity in an organically fertilized substrate (prepared by application of 4 kg · m−2 horse manure and subsequent solarization) to which three different doses of mineral fertilizers were added at 0 (T1), 157 (T2), and 313 (T3) kg N · ha−1. The results confirmed the high contribution of organic matter to nitrate leaching, although nitrate losses in T2 and T3 were around 33% and 100% greater than in T1. Furthermore the application of mineral fertilizers (T2 and T3) combined with organic manure led to a decrease in pepper fruit productivity. The use of porous ceramic water samplers for measuring fertilizer leaching is questioned. The results also point to the need for a revaluation of irrigation and N fertilization procedures when organic manure is used in order to improve pepper yield and reduce the contamination of ground water by nitrates.
Partially depleted SOI NMOSFET's with self-aligned polysilicon gate formed on the recessed channel region

A new SOI NMOSFET with a "LOCOS-like" shape self-aligned polysilicon gate formed on the recessed channel region has been fabricated by a mix-and-match technology. For the first time, we developed a new scheme for implementing self-alignment in both source/drain and gate structure in recessed channel device fabrication. Symmetric source/drain doping profile was obtained and highly symmetric electrical characteristics were observed. Drain current measured from 0.3 /spl mu/m SOI devices with V/sub z/ of 0.773 V and T/sub ox/=7.6 nm is 360 /spl mu/A//spl mu/m at V/sub GS/=3.5 V and V/sub DS/=2.5 V. Improved breakdown characteristics were obtained and the BV/sub DSS/ (the drain voltage for 1 nA//spl mu/m of I/sub D/ at T/sub GS/=0 V) of the device with L/sub eff/=0.3 /spl mu/m under the floating body condition was as high as 3.7 V.
An Acoustic Analysis of Voicing in American English Dental Fricatives

In this study, an acoustic analysis of the dental fricatives as produced by American English speakers from the Buckeye Corpus (Pitt et al. 2006) reveals that the dental fricatives are subject to variation in voicing based on phonetic environment, much more than is usual for a pair of phonemes whose phonological distinction is based on voicing, confirmed by a comparison with the voicing of /f/ and /v/. The results of the study show that voicing (presence or absence of glottal pulses) for /θ/ and /ð/ is not predictable by phoneme in conversational speech, but it is more predictable based on voicing of surrounding sounds. 1 This acoustic analysis was originally intended to be included in Smith 2009, “Dental fricatives and stops in Germanic. ” However, the editors and reviewers decided, and rightly so, that there were actually two papers there, so the acoustic analysis was removed and has been referred to as Smith 2007, “The seeds of sound change don’t fall far from the tree,” unpublished ms. While it has been my intention for some time to replicate the original study, introducing a number of new measurements and methods of analysis, while verifying the original measurements, this paper has sat on a back burner, still unpublished. While I still intend to perform such a reanalysis and submit it to a peer-reviewed journal, under whose scrutiny it will no doubt improve greatly, I submit this early version to the OSU Working Papers so that it may be more easily accessed by those who have expressed interest in it, for those who cannot wait for the next version to be published, and for those who have yet to discover it.
Fluidization in Two-Dimensional Beds with a Jet. 2. Hydrodynamic Modeling

The object of this investigation is to develop an experimentally verified hydrodynamic model to predict solids circulation around a jet in a fluidized bed gasifier. Hydrodynamic models of fluidization use the principles of conservation of mass, momentum, and energy. To account for unequal velocities of solid and fluid phases, separate phase momentum balances are developed. Other fluid bed models used in the scale-up of gasifiers do not employ the principles of conservation of momentum. Therefore, these models cannot predict fluid and particle motion. In such models solids mixing is described by means of empirical transfer coefficients. A two-dimensional unsteady-state computer code was developed to give gas and solid velocities, void fractions, and pressure in a fluid bed with a jet. The growth, propagation, and collapse of bubbles was calculated. Time averaged voi fractions were calculated that showed good agreement with void fractions measured with a . gamma. -ray densitometer. Calculated gas and solid velocities in the jet appeared to be reasonable.
STOPPING RULES IN PRINCIPAL COMPONENTS ANALYSIS: A COMPARISON OF HEURISTICAL AND STATISTICAL APPROACHES'

Approaches to determining the number of components to interpret from principal components analysis were compared. Heuristic procedures included: retaining components with eigenvalues (Xs) > 1 (i.e., Kaiser-Guttman criterion); components with bootstrapped Xs > 1 (bootstrapped Kaiser-Guttman); the scree plot; the broken-stick model; and components with Xs totalling to a fixed amount of the total variance. Statistical ap- proaches included: Bartlett's test of sphericity; Bartlett's test of homogeneity of the cor- relation matrix, Lawley's test of the second X; bootstrapped confidence limits on successive Xs (i.e., significant differences between Xs); and bootstrapped confidence limits on eigen- vector coefficients (i.e., coefficients that differ significantly from zero). All methods were compared using simulated data matrices of uniform correlation structure, patterned ma- trices of varying correlation structure and data sets of lake morphometry, water chemistry, and benthic invertebrate abundance. The most consistent results were obtained from the broken-stick model and a combined measure using bootstrapped Xs and associated eigen- vector coefficients. The traditional and bootstrapped Kaiser-Guttman approaches over- estimated the number of nontrivial dimensions as did the fixed-amount-of-variance model. The scree plot consistently estimated one dimension more than the number of simulated dimensions. Bartlett's test of sphericity showed inconsistent results. Both Bartlett's test of homogeneity of the correlation matrix and Lawley's test are limited to testing for only one and two dimensions, respectively.
Quality of Experience in ICN: Keep Your Low- Bitrate Close and High-Bitrate Closer

Recent studies into streaming media delivery suggest that performance gains from ubiquitous caching in Information-Centric Networks (ICN) may be negated by Dynamic Adaptive Streaming (DAS), the de facto method for retrieving multimedia content. Bitrate adaptation mechanisms, that drive video streaming, clash with caching mechanisms in ways that affect users’ Quality of Experience (QoE). Cache performance also diminishes as consumers dynamically select content encoded at different bitrates. In this article we use this evidence to draw a novel insight: in adaptive streaming over ICN, bitrates should be prioritized alongside popularity and hit rates. We build on this insight to propose RippleCache as a family of cache placement schemes that safeguard high-bitrate content at the edge and push low-bitrate content into the network core. Doing so reduces contention of cache resources, as well as congestion in the network. To validate RippleCache claims we construct two separate implementations. We design RippleClassic as a benchmark solution that optimizes content placement by maximizing a measure for ICNs shown to have high correlation with QoE. In addition, our lighter-weight RippleFinder is then re-designed with distributed execution for application in large-scale systems. RippleCache performance gains are reinforced by evaluations in NS-3 against state-of-the-art baseline approaches, using standard measures of QoE as defined by the DASH Industry Forum. Our results demonstrate that RippleClassic and RippleFinder deliver content that suffers less oscillation and rebuffering, all while achieving the highest levels of video quality; thus indicating overall improvements to QoE.
EIS Measurements on La1 − xSrxCo1 − yFeyO3 − δ Based Composite Electrodes in NOx Containing Atmosphere

In this study electrochemical impedance spectroscopy (EIS) was used for characterization of composite electrodes of La 1-x Sr x Co 1-y Fe y O 3-δ (x = 0.25, 0.40 and y = 0.8, 1) and Ce 0.9 Gd 0.1 O 1.95 (CGO10) or Ce 0.8 Pr 0.2 O 2 (CP020). Symmetrical cells were produced by screen printing the electrodes on CGO10 and subjected to EIS while varying the atmosphere between 1% NO in Ar, 1% NO 2 in Ar, and air in the temperature range of 300-600°C. The electrodes did not react directly with NO around open circuit voltage, but instead with an intermediate, likely NO 2 . Electrodes with 25% Sr had increased electrochemical activity in air compared to the ones with 40% Sr; the same was seen for electrodes in 1% NO in Ar if they contained 20% Co at the B-site. Substitution on the B-site with 20% Co increased the electrochemical activity of the electrodes, both in air and in 1% NO in Ar. Replacing CGO10 with CP020 increased the cells electrochemical activity in 1% NO in Ar, and the apparent selectivity also increased.
Phosphorous Partition between 2CaO·SiO2 Particles and CaO–SiO2–FetO Slags

The behavior of phosphorous transfer from P2O5-containing CaO–SiO2–FetO slags to 2CaO·SiO2 particles homogeneously dispersed in slag has been studied by using a microprobe analysis. The maximum phosphorus distribution ratio between 2CaO·SiO2 particle and slag is obtained at the nose composition of 2CaO·SiO2 primary phase region in CaO–SiO2–FetO phase diagram and the temperature dependence of this distribution ratio is small. The phosphorous transfer rate from slag to a 2CaO·SiO2 particle with 20 to 50 µm is considerably fast and a 2CaO·SiO2 particle changes to the particle with the composition of 2CaO·SiO2–3CaO·P2O5 solid solution within 5 s. In the case of particles present in cluster, only the rim part (5 µm) of a particle changes to the composition of 2CaO·SiO2–3CaO·P2O5 solid solution within 5 s, but small size particles with 3 to 8 µm completely change to the particles with the composition of 2CaO·SiO2–3CaO·P2O5 solid solution within 5 s.
Endocrine disruptors in the Leça River and nearby Porto Coast (NW Portugal): presence of estrogenic compounds and hypoxic conditions

The Leça River and two beaches close to the north and south margins of the estuary, nowadays an important seaport harbor, show signs of contamination. However, the chemical nature of that contamination is uncertain. Therefore, this study checked for the presence of 11 endocrine disrupting compounds (EDCs) of animal (17β-estradiol and estrone), pharmaceutical (17α-ethynylestradiol), and industrial (alkylphenols, alkylphenol ethoxylates, and bisphenol A) origins in water samples collected from six points at the river gradient and at two sites in the coastline (Atlantic Ocean). Along with the EDCs, evaluated by gas chromatography – mass spectroscopy (GC-MS) during spring, summer, and autumn, physico-chemical parameters were also assessed and particular attention was given to dissolved oxygen (DO) levels. Data showed the presence of high amounts of estrogens (up to 10 ng L−1 for estrone) and industrial compounds (up to 2 µg L−1 for the nonylphenol ethoxylates) at both river and seacoast. Along with this, clear signs of hypoxia were found in the river (DO < 3 mg L−1 at several sampling sites). Taking into account these issues, it was concluded that there are local conditions for the occurrence of endocrine disruption in aquatic animals.
The influence of non-Oberbeck-Boussinesq effects on rotating turbulent Rayleigh-Bénard convection

The influence of non-Oberbeck-Boussinesq (NOB) effects on rotating turbulent Rayleigh-Bénard convection is investigated by means of three-dimensional direct numerical simulations (DNS). For this purpose the impact of temperature dependent material properties of water with a Prandtl number of Pr = 4.38 is considered at a Rayleigh number of Ra = 108. Simulations with and without superimposed rotation were performed within a Rossby number range of 0.3 ≤ Ro ≤ 3.0 and Ro = ∞. The generated flow fields are analysed with respect to deviations from the Oberbeck-Boussinesq (OB) cases. We obtain a breakdown of the top-bottom symmetry, that is, different boundary layer thicknesses, modified mean temperature profiles including an increase of the centre temperature and asymmetric velocity flow patterns in the non-rotating case. When the Rayleigh-Bénard cell is rotated, NOB effects decrease with increasing rotation rate, but are still significant. In particular they lead to a smaller temperature gradient within the bulk. The Nusselt number Nu in the non-rotating NOB cases slightly decreases, while it slightly increases in the rotating ones. However, the change in Nu remains within a few percent for all cases.
Wettability of Polished Silicon Oxide Surfaces

The wettability of silicon dioxide surfaces that have been subjected to chemomechanical polishing has been examined by contact angle measurements and compared to the native thermal oxide. The data from contact angle measurements were used to determine critical surface tensions of wetting and work of adhesion values. Contact angle measurements indicate that polishing does indeed make the SiO 2 surfaces more wettable through the formation of silanols. This is demonstrated by comparison of work of adhesion values. Upon heating, there is a steady decrease in work of adhesion values for the native and polished oxide surface. Dehydration (evaporation and condensation of silanol groups) can be observed through the work of adhesion values as the samples are heated from ambient to 280°C. The loss of water occurs gradually to give a surface which is relatively hydrophobic to water. Contact angle hysteresis data indicate that the chemical heterogeneity present on the native oxide surface is removed during chemomechanical polishing.
Influence of liquid manure and NPK on selected sorption properties of soil.

The aim of the experiment was to assess the effect of long-term fertilization with liquid manure applied annually and biennially and with mineral fertilizers on selected sorption properties of soil, i.e. the content of exchangeable magnesium, potassium, calcium, sodium and as well as the value of hydrolytic acidity, sorption capacity and base cation saturation ratio. It was found that fertilization with liquid manure, in contrast to NPK application (N as NH4NO3, P as triple super phosphate, K as KCl), led to a significant rise in the content of exchangeable magnesium in soil, whereas application of liquid manure or mineral fertilizers contributed to a significant increase in the potassium content in soil. Application of liquid manure did not cause significant changes in the value of hydrolytic acidity between the lowest and the highest dose used, while mineral fertilization contributed to an increase in the value of hydrolytic acidity. Application of liquid manure reduced the value of hydrolytic acidity as deep as the third layer of the soil profile. Fertilization with liquid manure and mineral fertilizers did not affect the content of exchangeable calcium in the whole soil profile, although the calcium content in the soil profile increased to the 51-75 cm layer. Application of liquid manure and NPK did not alter significantly the content of exchangeable sodium in soil. Upon application of both liquid manure and NPK, no significant changes were observed in the total base exchangeable cations in soil (S) or in the sorption complex saturation (V). However, S and V significantly increased along the depth of sampling. It was found that fertilization with both liquid manure and mineral fertilizers did not induce substantial changes in the soil sorption capacity, although there was an increase in the total sorption capacity in two layers (51-75 cm and 76-100 cm) of the soil profile.
IR spectroscopic study of the effects of high pressure on zeolites Y, A and sodalite

In this work, we present the effect of high external pressure on the structures of several representative zeolites: zeolite Y (Na-Y), lithium exchanged zeolite A (Li-A) and sodalite, as studied by IR spectroscopy. Pressure-induced amorphization was observed at 19 and 18 kbar in Na-Y and Li-A, respectively. However, the amorphous phases formed under such pressures seem to be reversible. The structural memory of the glasses might be due to the presence of hydrated charge balancing cations. Sodalite, on the other hand, exhibited no phase change in the pressure range of 0–48 kbar.