Miracle-dz/UniFAR-FTUs huggingface dataset:
Crystal growth and elastic properties of orthorhombic Bi2Ga4O9

The combination of favourable oxygen conductivity at high temperatures with mechanical strength make Bi-containing compounds with mullite-type crystal structures strong candidates for use as electrolytes of solid fuel cells. Large single crystals of orthorhombic Bi2Ga4O9 with dimensions up to 20 × 20 × 10 mm3 were grown by the top-seeded solution growth technique. Their elastic constants at room temperature were determined for the first time using resonant ultrasound spectroscopy. The values given in GPa are c11 = 143.4(2), c22 = 161.7(2), c33 = 224.2(3), c44 = 69.6(1), c55 = 49.2(1), c66 = 76.5(2), c12 = 73.7(2), c13 = 62.2(3) and c23 = 70.3(3). Further, the crystal structure and the elastic properties of Bi2Ga4O9 were studied at 0 K by parameter-free ab initio calculations based on density-functional theory. On average the computed elastic constants differ from the experimental values by about 10%, indicating the reliability of the theoretical approach. Like in other mullite-type compounds the anisotropy of the longitudinal elastic stiffness is clearly controlled by the structurally dominant octahedral chains running parallel to [001]. The deviations from Cauchy relations show a significant anisotropy of the type g22>g11≈g33 which is related to the covalent character of the bonding interactions within the infinite –Bi–O–Bi–O– bond chains parallel to [010]. The mean elastic stiffness of Bi2Ga4O9 is about 40% smaller than for 2/1-mullite and sillimanite. This discrepancy can be attributed to the mechanically very soft behaviour of the Bi 6s2 lone electron pair. Its stereochemical activity is clearly evident from both the asymmetry of the bismuth coordination polyhedron and the calculated electron density maps.
Emission of ammonia and nitrous oxide from aerobic treatment of veal calf slurry

Abstract More dthan 650 000 m3of veal calf slurry is treated annually in four aerobic plants in the Netherlands. As a result of nitrification and denitrification most of the nitrogen in the slurry is converted to nitrogen gas (N2). However, significant emissions of ammonia and nitrous oxide are expected and therefore in this study, emission measurements were carried out at two of the treatment plants, one operating as a sequencing batch reactor and the other as a continuous system with separate aerated and anoxic compartments for nitrification and denitrification respectively. Emissions from the open tanks of the treatment systems were assessed using a floating chamber placed on the liquid surface. Air was blown horizontally through the chamber with a fan. Air samples were taken at the inlet of the fan and the outlet of the chamber. Emission of ammonia was 0·7% of the total Kjeldahl nitrogen (TKN) in the slurry for the batch system and 0·1-0·2% of TKN for the continuous system. Emissions of nitrous oxide were of the same order of magnitude for both systems (9-13% of TKN in slurry).
Thermophysical and Fire Properties of Engine Compartment Fluids

Ignition and combustion behaviors of the engine compartment fluids are presented based on their thermophysical and fire properties. The thermophysical properties considered are flash point (T flash ), autoignition temperature (T a ), hot metal surface ignition temperature (T hot ), initial boiling point (T ib ) and the final boiling point (T fb ). The fire properties considered are the heat release parameter, HRP (ratio of the chemical heat of combustion, ΔH ch , to heat of vaporization, ΔH y ) and product release parameter, PRP (ratio of the yield of the product, y j to ΔH v ). In operating vehicles, the temperatures of metal surfaces in the engine compartment exceed the T flash , T a , T hot , T ib and T fb values for most of the engine compartment fluids. Thus, in vehicle crashes, the fluids are capable of starting engine compartment fires as they encounter the hot surfaces, as was observed in the crash and vehicle burn tests in the GM studies. The fire properties of the engine compartment fluids (HRP and PRP) indicate that hydrocarbon-based fluids would burn with intensity comparable to or higher than gasoline and release large amounts of CO and smoke. However, the non-hydrocarbon based fluids would burn with lower intensity than gasoline and release lower amounts of CO and smoke. Fire retardation of the engine compartment fluids is generally not practical, however, providing fire suppression system in the engine compartment and fire barriers between the engine and passenger compartments would be effective in enhancing the passenger survivability. The T flash , T a , T hot , T ib and T fb values of the fluids are interrelated and thus a regulatory standard could be developed for the engine compartment fluids, where limits for only T ib , T fb and HRP could be specified for the acceptance of the fluids.
Microstructure and formation mechanism of porous silicon

A systematic study is presented of the effects of silicon dopant type, resistivity, current density, and hydrofluoric acid concentration on the formation and properties of porous silicon. Cross‐section transmission electron microscopy revealed the presence of two distinct microstructures. The structure formed is determined by the doping level with the transition occurring near degeneracy. A model of the anodisation process is presented which is based on the semiconducting properties of the material and which explains the formation of the two different types of porous structure observed.
Infrared evidence of dioctahedral-trioctahedral site occupancy in palygorskite

A Mg-rich palygorskite sample from phosphorite deposits of Ganntour (Morocco) with the structural formula $${\rm{S}}{{\rm{i}}_8}\left( {{\rm{M}}{{\rm{g}}_{2.6}}{\rm{A}}{{\rm{l}}_{1.19}}{\rm{Fe}}_{{\rm{0}}{\rm{.33}}}^{{\rm{III}}}{\square_{0.88}}} \right){\rm{C}}{{\rm{a}}_{0.056}}{\rm{N}}{{\rm{a}}_{0.024}}{{\rm{K}}_{0.104}}{{\rm{O}}_{20}}{\left( {{\rm{OH}}} \right)_2}{\left( {{\rm{O}}{{\rm{H}}_2}} \right)_{4 \cdot }}4{{\rm{H}}_{\rm{2}}}{\rm{O}}$$Si8(Mg2.6Al1.19Fe0.33III□0.88)Ca0.056Na0.024K0.104O20(OH)2(OH2)4⋅4H2O, was studied by FTIR spectroscopy. In both OH-stretching and OH-bending regions, there is evidence of dioctahedral Al2□OH, AlFe□OH and trioctahedral Mg3OH features, leading to a di-trioctahedral crystallochemical model of octahedral site occupancies in ribbons of Ganntour palygorskite.This model, established through the IR spectroscopy study of a Mg-rich palygorskite, seems to be appropriate for many other palygorskites with lower Mg content in the octahedral sheet.
Chemical fluxes from a sediment trap experiment in the deep Sargasso Sea

A pair of sediment traps, each with an opening of 1.5 m/sup 2/, were deployed at 5367m in 5581m of water at 31/sup 0/ 34'N, 55/sup 0/ 03'W in the Sargasso Sea. The traps were located within the bottom nepheloid layer, which, at this site, extends from about 4900m to the bottom. The two traps collected different amounts of material, one collecting 3.45g, and the other 6.90g. The difference is probably attributable to mooring and shadow effects, and may be a general problem for this class of experiment. In a collection time of 75 days, the mean total particulate flux is estimated to be 1.68 +- 0.79 mg cm/sup -2/y/sup -1/. Samples from each trap have been analyzed for the elements Si, Al, Ca, K, Mg, Fe, Mn, Ba, Sr, Ti, V, I, Sc, La, Cr, Sb, Cu, Zn, Cd, Ni and Co by a combinationof instrumental neutron activation and atomic absorption techniques. Several radioisotopes, including /sup 234/Th, /sup 228/Th, /sup 230/Th, /sup 232/Th, /sup 210/Po, /sup 210/Pb, /sup 227/Th, /sup 238/U, and /sup 226/Ra, have been determined by . cap alpha. and . beta. spectrometry. The trapped material consists of about 50% clay, 20% calcium carbonate, 20% silica and 5% organicmore » matter. In interpreting these data, we have paid particular attention to the following problems: separation of the primary flux from the re-suspended sediment contribution, estimation of the trap efficiency for different size classes of particles, estimation of particle settling velocities and assessment of adsorption onto particles during transit through the water column. These problems are common to most sediment trap experiments. « less
Energetics and kinetics of ethylbenzene adsorption on epitaxial FeO(111) and Fe3O4(111) films studied by thermal desorption and photoelectron spectroscopy

The adsorption of ethylbenzene (EB) has been studied on thin films of FeO(111) and Fe3O4(111) grown epitaxially on Pt(111) using thermal desorption spectroscopy (TDS), ultraviolet photoelectron spectroscopy (UPS) and low energy electron diffraction (LEED). Applying a threshold analysis of the TDS data, desorption energies Edes and the corresponding frequency factors are deduced. The UPS measurements are performed under adsorption–desorption equilibrium conditions: The spectra are taken at varying sample temperature at constant EB gas phase pressures. From the spectra, the EB-coverages ΘEB are deduced. From the adsorption isobars obtained in this way, isosteric heats of adsorption qst(ΘEB) are obtained which are compared to the desorption energies Edes deduced from TDS. On the oxygen-terminated FeO(111) surface, two adsorption states are observed, a physisorbed first layer (β-EB) followed by condensation (α-EB). Their UP spectra are almost identical and very similar to the spectrum of gas phase EB. On Fe3O.
A first-principles non-equilibrium molecular dynamicsstudy of oxygen diffusion in Sm-doped ceria

Solid oxide fuel cells are considered as one of the main alternatives for future sources of clean energy. To further improve their performance, theoretical methods able to describe the diffusion process in candidate electrolyte materials at finite temperatures are needed. The method of choice for simulating systems at finite temperature is molecular dynamics. However, if the forces are calculated directly from the Schrodinger equation (first-principles molecular dynamics) the computational expense is too high to allow long enough simulations to properly capture the diffusion process in most materials.This thesis introduces a method to deal with this problem using an external force field to speed up the diffusion process in the simulation. The method is applied to study the diffusion of oxygen ions in Sm-doped ceria, which has showed promise in its use as an electrolyte. Good agreement with experimental data is demonstrated, indicating high potential for future applications of the method.
Rapid, Blue‐Light Induced Transpiration in Avena

The transpiration responses of primary Avena leaves to blue-light pulses were investigated. Only light with wave length shorter than 524 nm can produce the rapid transpiration response. The action spectrum has a maximum around 450 nm. The rapid transpiration response induced by blue-light pulses successively disappeared in long-term experiments if the plant was kept in darkness between the pulses. However, if visible light was given to the plant between the pulses, the rapid response was restored. The magnitude of the rapid transpiration response was investigated under different conditions of background illumination and blue-light exposure. Saturation of the response was obtained with an irradiation level of 1.5–2 mW.cm−2 (5 min pulses) and with a pulse duration of 4 min (pulse irradiance 2 mW.cm−2). A pulse duration of 3 s was sufficient to produce a significant rapid response at an irradiation level of 2 mW.cm−2.
Estimate of the chemical composition of Braquiaria cv. Marandú by chlorophyll meter

The conception of a fast, efficient and profitable methodology is important for the evaluation of the nutritional characteristics in forage plants due to a raised variation of these grassy parameters in the tropical ones in a short time. The aim of this work was to verify the use of chlorophyll meter Minolta SPAD-502, for evaluation of the dry matter (DM), crude protein (CP) and neutral detergent fiber (NDF) in plants of Brachiaria brizantha cv. Marandú. The samples were obtained in a pasture, where the variation of color of leaves was a principal parameter of selection. Subsequently to the readings of SPAD index in the middle section of leaves, chemical composition was determined. It was possible to design models of relation between content of DM, CP, and SPAD index. The adjustment of the quadratic model expressed the best relation between the content of CP and the readings of SPAD index. A linear model was adjusted to the relation between DM and SPAD index. It was not possible to stipulate a model between content of NDF and SPAD index.
Photoionization of Fullerens and Atoms Confined in Fullerenes

The photoionization cross sections of small fullerenes (C28, C32, C40, C44, and C50), and the outer and near-outer shells of atoms (noble gases, alkaline earth) confined endohedrally inside a C60 molecule are calculated employing a time-dependent local density approximation formulation. Plasmon and confinement resonances are found to be a general feature of these cross sections, and dramatic interchannel coupling effects, significantly increasing the atomic cross sections, are exhibited in all cases in the vicinity of the C60 plasmons. Hybridization effects, the mixing of the atomic and cage bound state wave functions, are also found, but no systematics of the hybridization present themselves. Also, in the case of Ar@C60, Inter-atomic Columbic decay (ICD) has been found and studied. INDEX WORDS: Photoionization, Noble gas, Fullerene, Endohedrally, TDLDA, ICD PHOTOIONIZATION OF FULLERENS AND ATOMS CONFINED IN FULLERENES
Steroids facing emotions

The studies reported in this thesis have been performed to gain a better understanding about motivational mediators of selective attention and memory for emotionally relevant stimuli, and about the roles that some steroid hormones play in regulation of human motivation and emotion. The stimuli used are pictures of human facial expressions of emotion. The main interest was in establishing psychoneuronedocrine and psychological motivational predictors of biased processing of angry and fearful faces. Whereas previous research has used angry facial expressions and their attentional and mnemonic processing as models for anxiogenic selective cognition, one of the themes of this thesis is that this angry facial expression does not provide an optimal model to measure fearful responses. Motivated responses to angry facial expressions are instead inherently ambiguous. Depending on the motivational stance of the observer, expressions of anger can be met with fearful withdrawal or aggressive reciprocity. The fearful facial expression, especially when gaze direction is taken into account, is likely a better stimulus to evoke anxiogenic responses. One important goal of this thesis was to disambiguate attentional and mnemonic processing of angry facial expressions and to explore the latter claim about fearful facial expressions. This has been done by relating biases in attentional and mnemonic processing of facial expressions to individual differences in various endocrine and self report measures of motivation. In addition, this thesis describes the development and application of an innovative experimental method for measuring attentional responses to (fearful) facial expressions, utilizing manipulation of gaze direction as a critical component to emotional expression. The other main goal of this thesis was to study motivational effects of the steroid hormones testosterone and cortisol. This thesis describes several studies that have been performed to causally test relations between measures of endocrine-motivational functioning and attentional and mnemonic biases to these facial expressions. Specifically, acute effects on such motivational processes from single administrations of testosterone and cortisol have been tested and are reported here. Together, these studies provide some further insights into the fascinating interplay between emotion and cognition, between brain/body and mind. Their interest lies mainly in their relation to fundamental research questions into the nature of human motivational processes and endocrine regulation thereof, but hopefully they will also add some to our understanding of human psychopathology.
Nitrogen Fertilizer Increases Seed Protein and Milling Quality of Rice

ABSTRACT Rice grain breakage during milling is a problem in many parts of Asia. It has been suggested that nitrogen (N) fertilizer can improve the milling quality of rice. Therefore, this study investigates effects of N fertilization on grain N concentration, endosperm storage protein distribution, and milling quality of rice. Four Thai extra long grain commercial rice cultivars (KDML105, KLG1, PTT1, and CNT1) were grown at Chiang Mai University in the wet season of 2001 with 0 or 120 kg of N/ha at flowering. Anatomical sections showed that there was more storage protein accumulated in the lateral regions of polished grain of high N concentration than in grain of low N concentration. Percent (%) unbroken rice was positively correlated with relative abundance of storage protein in the lateral region of the endosperm in all cultivars. Applying N increased head rice N concentration in all cultivars, whereas % unbroken rice was increased in KLG1 and CNT1. KDML105 cultivar, on the other hand, already had high .
Use of Lasers to Treat Port Wine Stain Birthmarks

Abstract Before the development of the laser there was no effective treatment for port wine stain birthmarks. This review considers the basic principles of laser-tissue interaction as applied to port wine stain treatment. Developments leading to the theory of selective photothermolysis and its implementation using pulsed dye lasers are described. Treatment results and recent developments in the field are discussed.
ULTRASONIC EXTRACTION OF HEMPSEED OIL

In the present study, the use of ultrasonic conditions for the extraction of oil from hempseeds was investigated. The results show that ultrasonic extraction (UE) requires a shorter operating time and results in less solvent consumption than solvent extraction (SE). The optimal conditions for UE are as follows: power output: 200âW; exposure time: 25âmin; acting onâoff ratio: 20:20 (s/s); and solventâtoâsolid ratio: 7:1 (v/w). The gas chromatographyâmass spectrometry analysis indicated that the composition of the hempseed oil that is extracted is not significantly (Pââ¤â0.05), if at all, affected by UE. Additionally, the 2,2âdiphenylâ1âpicryhydrazyl scavenging activity during the UE is 13.5% higher than that obtained under SE in this test. Hempseed oil that is extracted by UE has a higher ultravioletâabsorbing capacity than the oil obtained by SE. These tests indicate that UE may be a new, acceptable and even potentially superior commercial oil extraction process for preserving the naturally occurring content of bioactive components that are found within the oil. PRACTICAL APPLICATIONS: In this investigation, we found that hempseed oil extracted using ultrasonicâassisted techniques has unique ultravioletâabsorbing properties and better 2,2âdiphenylâlâpicryhydrazyl radicalâscavenging activity when compared with oil obtained by solvent extraction. It can be concluded that ultrasonicâassisted extraction is a potential method for producing better hempseed oil for food and cosmetic applications.
Deliquescence Behavior of Multicomponent Aerosols

The deliquescence behavior of multicomponent aerosols has been studied extensively by measuring the particle size or weight growth at controlled relative humidities. To our knowledge there has been no experimental investigation of the chemical composition of the aerosol surface as a function of relative humidity, which is extremely important in understanding a number of issues in atmospheric chemistry and physics. Rapid single-particle mass spectrometry (RSMS) has been used in this work to explore the deliquescence behavior of particles generated from NaCl/KCl, NaCl/NaNO3, and (NH4)2SO4/NH4NO3 mixed solutions and then conditioned at different relative humidities. Thermodynamic predictions of the crystallization/deliquescence behavior of each mixture were also given. For NaCl/KCl and NaCl/NaNO3 mixtures, the data were generally consistent with thermodynamic analysis and earlier investigations. The results indicate that as the ambient relative humidity reaches the deliquescence point of the system, the chem.
Predicting the nonlinear optical response in the resonant region from the linear characterization: a self-consistent theory for the first-, second-, and third-order (non)linear optical response

We introduce a self-consistent theory for the description of the optical linear and nonlinear response of molecules that is based strictly on the results of the experimental characterization. We show how the Thomas-Kuhn sum-rules can be used to eliminate the dependence of the nonlinear response on parameters that are not directly measurable. Our approach leads to the successful modeling of the dispersion of the nonlinear response of complex molecular structures with different geometries (dipolar and octupolar), and can be used as a guide towards the modeling in terms of fundamental physical parameters.
Plant Uptake and Determination of Arsenic Species in Soil Solution under Flooded Conditions

Previous studies have not identified the different As species present in soil systems and determined if effective differences exist between As species with respect to plant parameters such as growth rate and As uptake. This study determined the species and concentrations of As present in soil solution of flooded soils and correlated them to As concentration, P concentration, an growth rate of plants grown in treated soils. Rice (Oryza sativa L.) was grown in two soils treated with 0, 5, 25, 35, and 45 mg As kg{sup -1} soil added as either Na-arsenate or Na-arsenite. Soil solution samples and plant samples were collected over a period of 60 d. The As concentration of rice plants best correlated to the mean soil solution arsenate concentration in a Beaumont clay (fine, montmorillonitic, thermic Entic Pelludert) and to the mean soil solution arsenite concentration in a Midland silt loam (fine, montmorillonitic, thermic Typic Ochraqualf). In both soils, plant P concentration was best correlated to the amount of As added to the soil rather than any soil solution As concentration. Plant weight was best correlated to the mean soil solution arsenate concentration in both soils. The rate of As uptake by plants increased asmore » the rate of plant growth increased. Plants grown in soils treated with As had higher rates of As uptake for similar rates of growth when compared with plants in untreated soils. However, growth per unit of As uptake was higher for plants in untreated soils than plants in As treated soils. 31 refs., 8 figs., 5 tabs. « less