Miracle-dz/UniFAR-FTUs huggingface dataset:
Temperature Dependence of the Current Conduction Mechanisms in Sm2O3 Thin Films

Metal-oxide-semiconductor capacitors with Sm 2 O 3 dielectric film were fabricated and the temperature dependence of the conduction mechanisms was studied. The Sm 2 O 3 films were deposited by radio frequency magnetron sputtering. The thickness of Sm 2 O 3 was 18.8 nm. The dielectric permittivity and the equivalent oxide thickness of capacitors with Sm 2 O 3 film were 15.0 and 4.8 nm, respectively. The X-ray photoelectron spectroscopy analysis showed a silicate interfacial layer formed between Sm 2 O 3 and Si. When the aluminum electrode was biased positive, the dominant conduction mechanism was Schottky emission in the temperature range 475 K < T < 500 K and at an electrical field of 0.8 MV/cm < E < 1.4 MV/cm. In the temperature range 300-425 K, the dominant conduction mechanism was most likely space-charge-limited conduction. When the aluminum electrode was biased negative, the dominant conduction mechanism in the temperature range from 325 to 500 K and at an electrical field from 0.08 to 0.81 MV/cm was Schottky emission. At 77 K and with the electrical field above 0.9 MV/cm, the conduction mechanism was Fowler-Nordheim (F-N) tunneling. The Al/Sm 2 O 3 electron barrier height and the effective electronic mass calculated from Schottky emission and F-N tunneling were 0.82 eV and 0.13 m 0 , respectively.
New insights into the crystal chemistry of epididymite and eudidymite from Malosa, Malawi: A single-crystal neutron diffraction study

Abstract The crystal chemistry of two dimorphic hydrated sodium beryllium silicates, epididymite [a = 12.7334(4), b = 13.6298(5), c = 7.3467(3) Å, V = 1275.04 Å3, space group Pnma)] and eudidymite [a = 12.6188(10), b = 7.3781(5), c = 13.9940(9) Å, β = 103.762(5)°, V = 1265.47 Å3, space group C2/c] from Malosa, Malawi, has been reinvestigated by means of energy dispersive X-ray spectroscopy, thermo-gravimetric analysis, inductively coupled plasma-optical emission spectroscopy and single-crystal neutron diffraction. Two anisotropic structure refinements have been performed with final agreement index R1 = 0.0317 for 137 refined parameters and 2261 unique reflections with Fo > 4σ(Fo) for epididymite, and R1 = 0.0478 for 136 refined parameters and 1732 unique reflections with Fo > 4σ(Fo) for eudidymite. The analysis of the difference-Fourier maps of the nuclear density of the two dimorphs confirms the presence of extra-framework water molecules in both, and not hydroxyl groups as wrongly reported in previous studies and in several crystal-structure databases. The correct chemical formula of edipidymite and eudidymite is Na2Be2Si6O15·H2O (Z = 4). The configuration of the water molecules and the hydrogen bonds are fully described for both the dimorphs. The chemical analyses show that a small, but significant, amount of Al and Fe (most likely substituting for Si in the tetrahedral sites) and K (substituting for Na as an extra-framework cation) occurs in both dimorphs
Determination of the volatile fraction of coal tar

煤焦油质、量由气体分析了层析(GC ) 方法。 74 个部件完全被煤气的层析团 spectrometry (GCMS ) 识别。 31 个部件(37%) 是煤气的层析火焰电离察觉者(GC 桅栓) 分析的份量上。 线性，精确性，精确，察觉(LOD ) 的限制和限制量(LOQ ) 决心被检查。 由 GC 的定量分析的范围被讨论。 thermogravimetric 分析(TGA ) 的试验性的结果证明煤焦油的 GC 定量分析是可靠的。
A statistical mechanics/density functional approach to the thermodynamics of liquids

This study describes an accurate partition function obtained evaluating the configurational integral of molecular solutes with a computationally feasible method. The key features of this method include the partition function’s factors for translation (calculated according to the approach of the Lennard-Jones–Devonshire theory of liquids) and libration. The proposed molecular partition function has been successfully tested computing entropies of vaporization and molar heat capacities at constant volume for the four common liquids dichloromethane, acetonitrile, methanol, and water. The formulation of pressure-dependent properties is also given through a virial equation, and the evaluation of its simplest term allows the estimate of enthalpies of vaporization. Structural parameters needed by the theory, such as binding energies of particles to the bulk, have been obtained through density functional theory calculations on monomers, dimers, and clusters of the four test liquids.
Silica-Supported Perchloric Acid (HClO4-SiO2): An Efficient Catalyst for the Preparation of β-Amido Carbonyl Compounds Using Multicomponent Reactions

Abstract A new, one-pot, efficient, three-component condensation of benzaldehyde derivatives, enolizable ketones, acetyl chloride, and acetonitrile or benzonitrile in the presence of silica-supported perchloric acid as an effective catalyst for the synthesis of β-amido carbonyl compounds is described. The present methodology offers several advantages, such as good yields, short reaction times, and simple workup procedure.
Impact of Environmental Factors on Key Functional Groups involved in Nitrogen Cycling in Agricultural Ecosystems

Controlling turnover processes and fluxes in soils and other environments requires information about the gene pool and possibilities for its in situ induction. Therefore in the recent years there has been a growing interest in genes and transcripts coding for metabolic enzymes. Besides questions addressing redundancy and diversity, more and more attention is given on the abundance of specific DNA and mRNA in the different habitats. This review will describe several PCR techniques that are suitable for quantification of functional genes and transcripts such as MPNPCR, competitive PCR and real-time PCR. The advantages and disadvantages of the mentioned methods are discussed. In addition, the problems of quantitative extraction of nucleic acid and substances that inhibit polymerase are described. Finally, some examples from recent papers are given to demonstrate the applicability and usefulness of the different approaches. © 2006 Elsevier B.V. All rights reserved.
Evaluating the non-hygroscopic bismuth subsalicylate, bismuth oxychloride and bismuth subnitrate monohydrate as starting reagents for the preparation of bismuth(III) thiolates

Suspensions of bismuth subsalicylate (BSS) in methanol or in water reacted with aromatic and aliphatic monothiols under 1:1, 1:2 and 1:3 molar ratios producing only the Bi(III) trithiolates. BSS readily reacted with British Anti-Lewisite and dihydrolipoic acid but sluggishly with dithioerythritol, giving novel thiolates. Bismuth oxychloride and bismuth subnitrate monohydrate also reacted with monoand dithiols but in general the products were not pure due to entrapment of the reagents in the insoluble thiolates. From the three moisture stable reagents, BSS is more versatile and being inexpensive can be used in the preparation of bismuth thiolates. The reactivity of BSS towards monoand dithiols may aid in understanding its biological role.
Probabilistic Learning and Planning for Optimal Management of Wind Farms

Wind energy is a renewable energy source that has been growing rapidly in recent years. However, wind farms have relatively high cost, of which operation and maintenance (OM and to select the optimal strategy under model uncertainty. We validate our approach with synthetic data, and we show that the management cost of a wind farm can be significantly less than that related to the POMDP approach, as the BA-POMDP framework allows finding robust optimal solutions, and learning from the environment to adapt the policy depending on the observations collected.
Radially symmetric phase growth controlled by diffusion

Particular solutions of the diffusion equation, with radial symmetry, in three and in two dimensions, found originally by Rieck, represent the diffusion field around a spherical or cylindrical new phase, growing from a negligible initial radius in an initially uniform medium, maintaining equilibrium conditions at the growing surface. The resulting diffusion field is most simply described by saying that the radial gradient is the same as that of the corresponding potential problem with fixed boundaries, multiplied by a factor exp (-r2/4Dt), where r is radius, D diffusivity, t time. The result is applied to phase growth controlled by the diffusion of heat, solute, or both together. It differs appreciably from the static approximation unless the supercooling, or the supersaturation and the solubility, are small.
Structure-based mechanism of proton transport through the influenza A M2 protein

Influenza A/M2 is a minimalistic integral membrane protein that mediates proton transport across the viral membrane and is of interest as an antiviral drug target. This protein has been extensively studied by electrophysiologists, biophysicists, structural biologists, and medicinal chemists, but a synthesis and unified extension of the knowledge bases from these fields has not been undertaken. The principal aim of this thesis is to develop a comprehensive, quantitative, structure-based mechanism that accounts for the key functional and biophysical properties of A/M2. To demonstrate the electrophysiological equivalence of the protein’s transmembrane domain (M2TM) and full length A/M2, proteoliposome flux experiments are conducted as a first step. Next, high-resolution crystals of an M2TM variant are obtained; the resulting structure and computational simulations provide a structural basis for the unusually high degree of charge stabilization inside the M2TM helical bundle, suggest a previously unseen mechanism used by Nature to stabilize charge in a membrane, and shed light on the likely pH-dependent structural transitions that the protein undergoes. Fluorescence quenching and EPR spectroscopy experiments confirm that M2 reconstituted in bilayers undergoes pH-driven changes in its conformational equilibrium that are consistent with available structures and governed by previously reported pKa values. Mechanistic models of this process are constructed and successfully fit to functional data. The fitting results show that proton transport and rectification are mediated by conformational transitions between structural ensembles with different proton affinities. Finally, the functional implications of targeted changes to the geometric and electronic properties of the key His 37 sidechain are observed, indicating that the shape of the His 37 imidazole rings is exquisitely tuned to mediate proton transport. Degree Type Dissertation Degree Name Doctor of Philosophy (PhD) Graduate Group Biochemistry & Molecular Biophysics First Advisor William F. DeGrado
Laser-Induced Fluorescence Measurements and Kinetic Analysis of Si Atom Formation in a Rotating Disk Chemical Vapor Deposition Reactor

An extensive set of laser-induced fluorescence (LIF) measurements of Si atoms during the chemical vapor deposition (CVD) of silicon from silane and disilane in a research rotating disk reactor are presented. The experimental results are compared in detail with predictions from a numerical model of CVD from silane and disilane that treats the fluid flow coupled to gas-phase and gas-surface chemistry. The comparisons showed that the unimolecular decomposition of SiH[sub 2] could not account for the observed gas-phase Si atom density profiles. The H[sub 3]SiSiH [leftrightarrow] Si + SiH[sub 4] and H[sub 3]SiSiH + SiH[sub 2] [leftrightarrow] Si + Si[sub 2]H[sub 6] reactions are proposed as the primary Si atom production routes. The model is in good agreement with the measured shapes of the Si atom profiles and the trends in Si atom density with susceptor temperature, pressure, and reactant gas mixture. 33 refs., 12 figs., 3 tabs.
Relation between Immersion Time and Absorption of Petroleum Distillate in a Vacuum-Pressure Process

A gravimetric method has been used to measure the variation with time of the absorption of petroleum distillate in dry samples of sapwood and heartwood of five conifer species. Longitudinal radial and tangential absorptions in blocks measuring 50 50 X 130 mm were observed separately over a period of 400 min in a process involving evacuation followed by immersion at atmospheric pressure. The initial longitudinal absorption and the radial and tangential absorption generally showed close proportionality to the square root of the time of immersion (|/V). Tangential flow is shown to occur in two distinct regions of the wood, presumably earlywood and latewood. The observed longitudinal absorption in Pseudotsuga menziesii heartwood is not proportional to J/ , but is shown to obey the variation predicted if the area available for flow decreases exponentially with increasing penetration. It is concluded that, in agreement with a theory presented, absorption in a homogeneous wood sample obeying Darcy's Law is proportional to ]/7 until saturation is reached.
Magnetic non‐volatile flip‐flop with spin‐Hall assistance

A novel multi‐bit non‐volatile flip‐flop (NVFF) written by spin‐Hall‐assisted spin‐transfer torque (STT) is proposed. This NVFF employs perpendicular‐anisotropy MTJs and requires an STT current combined with a spin‐Hall current to write the data. Thanks to the assistance of spin‐Hall effect (SHE), the incubation delay required by the conventional STT switching can be eliminated to achieve fast operation. Our proposed NVFF uses multi‐bit architecture and shows high‐density and low‐energy advantages over hybrid NV/volatile FFs in the application of the NV register file. Sim‐ulation results show that the proposed spin‐Hall‐assisted NVFF saves ∼31% storage density and ∼32% energy dissipation compared with the conventional STT‐NVFF. Moreover, the reliability of MTJ barrier is enhanced due to the reduction of the write voltage. (© 2015 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)
In-vessel, Mechanical Rotating Drum Composting Of Institutional Food Residuals

Use of composting technology as a treatment/disposal method for food residuals has been investigated by numerous researchers. This project evaluated the applicability of in-vessel, mechanical, rotating drum composting for food residuals. Three batches of food residuals (plate scrapings) were collected from a Texas prison and mixed with fine-textured soft-wood shavings at 2/1, 3/1 and 4/1 (ratios of shavings to food residual on a volumetric basis) to produce 0.4 m3 of compost blend. Temperature, oxygen, pH, bulk density and porosity were tracked throughout a fifteen-day composting trial. Volume and weight reductions were noticed for all blends. All blends reached thermophilic temperatures (> 45°C) while remaining aerobic during the trials. Initial pH was low in all blends, occasionally reaching 3.55 before returning to optimal levels (6.0 to 7.5) for composting. Temperature increases into the thermophilic range during composting corresponded to increases in compost pH. Most nutrients (P, K, Ca, Mg, S, Na and Zn) increased in concentration during the composting period, with the exception of N, which in some instances decreased over time. Composts utilizing the 3/1 ratio of bulking agent/food residual achieved thermophilic temperatures quickest and maintained temperatures longer than did other blending ratios. From this study, it appears that use of the mechanical, in-vessel, rotating drum composter may be a viable alternative for food residual disposal.
Nanostructured Block Copolymer Dry Electrolyte

We report on the synthesis and characterization of a solid-state polymer electrolyte with enhanced lithium transport based on a self-assembled diblock copolymer. The diblock copolymer consists of a poly(ethylene oxide) (PEO) block and a random copolymer of methyl methacylate (MMA) and lithium salt of methacrylic acid (MAALi). Lithium bis(oxalato)borate, LiBC 4 O 8 (LiBOB) was used as salt in the dry electrolyte. Impedance and temperature studies were carried out to characterize the conductivity performance of the electrolyte. The diblock copolymer [PEO-b-(PMMA-ran-PMAALi)] with added LiBOB (in the molar ratio ethylene oxide:LiBOB = 3:1) was used to form flexible translucent films, which exhibited an average ionic conductivity value of 1.26 X 10 -5 S cm -1 at room temperature (21 °C). Transmission electron microscopy was performed to characterize the morphology of the polymer, and differential scanning calorimetry was carried out to study the thermal properties of the electrolyte.
Carbon-13 chemical-shift tensors in single-crystal methoxybenzenes

Using a two-dimensional NMR orientational correlation technique, carbon-13 chemical-shift tensors have been measured in single crystals of 1,4-dimethoxybenzene, 1,3,5-trimethoxybenzene and 1,2,3-trimethoxybenzene. The two-dimensional technique greatly extends the single-crystal method to materials with a much larger number of different carbon-13 resonance lines. The manner of dealing with chemically identical, but magnetically inequivalent carbons in the unit cell is discussed. The X-ray structure of 1,2,3-trimethoxybenzene is reported for the first time, and a redetermination of the X-ray structure for 1,4-dimethoxybenzene is given. The principal values of all carbon-13 chemical-shift tensors in the three molecules and the orientation of their principal axes have been obtained. Using multiple regressional analysis the principal values of the tensors have been discussed in terms of additive substituent effects. Ab initio calculations of the shielding tensors in anisole (methoxybenzene) and benzene were used to calculate substituent effects which agree closely with the parameters obtained from the regressional analysis.
Synthesis and Characterization of a New Fluorescent Zwitterionic Spirocyclic Meisenheimer Complex of 1,3,5‐Trinitrobenzene

In this communication we present the first stable zwitterionic spirocyclic Meisenheimer compound based on an NN rearrangement in the reaction between picric acid and diisopropylcarbodiimide. The structure was confirmed by single-crystal X-ray diffraction. Furthermore, this compound exhibits interesting fluorescence properties (φf = 0.4−0.5), not shared with a typical Meisenheimer complex, and a fluorescence lifetime (τ = 9.1 ns) in dichloromethane. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004)
Square Wave Adsorptive Stripping Voltammetric Determination of Cyromazine Insecticide with Multi-Walled Carbon Nanotube Paste Electrode

The electrochemical behavior of cyromazine (N-cyclopropyl-1,3,5-triazine-2,4,6 triamine) insecticide has been studied at newly prepared multi-wall carbon nanotubes paste electrodes using square wave stripping voltammetry. The cyromazine was accumulated at 0.0 mV [vs. Ag/AgCl (3 M NaCl)] and a well-defined anodic peak obtained at +1110 mV in 0.1 M H2SO4. The cyclic voltammetric measurements showed an irreversible nature of oxidation wave in the range of scan rates comprised between 500 and 4000 mV s−1. The calibration curve obtained from square wave stripping voltammetry was linear in the range 0.41 to 83.30 µg/mL with a detection limit of 0.12 µg/mL. The method was applied to the direct determination of cyromazine in natural water samples. Recoveries calculated for river and tap water samples spiked with 10.0 µg/mL level were 101.5 ± 1.9% and 100.6 ± 2.3% at 95% confidence level, respectively. The method was extended to the determination of cyromazine in agrochemical formulation Trigard® with a recovery of 100.49% and accuracy was in agreement with that obtained by HPLC comparison method. Influences of some interfering ions and pesticides were also investigated.
A shock tube study of the reaction of the hydroxyl radical with H2, CH4, C-C5H10, and i-C4H10

Reactions of the hydroxyl radical, OH, with several reactants have been studied near 1200 K in shock tube experiments in which UV absorption was used to monitor the OH concentration. The values of the rate coefficients were found to be 2.7 × 1012, 2.6 × 1012, 2.8 × 1013, and 1.26 × 1013 cm3/mol-s for the reactions of OH with hydrogen, methane, cyclopentane, and isobutane, respectively. These measured values are compared with previous experimental results and transition-state theory calculations.
Etudes de systèmes microfluidiques : agrégation de particules, électrocinétique linéaire, analyse de protéines

Apres deux chapitres introductifs, ce manuscrit est divise en trois parties independantes. (I) Nous etudions l'influence du cisaillement sur l'agregation de particules paramagnetiques soumises a un champ magnetique parallele a l'ecoulement. Nous montrons que les chaines formees croissent lineairement suivant un modele utilisant l'equation de Smoluchovsky. (II) Une etude theorique est menee afin d'etendre aux situations experimentales rencontrees en microfluidique les relations decrivant les phenomenes electrocinetiques. Les symetries entre courant d'ecoulement et electroosmose sont demontrees. L'approximation de couche de Debye fine est appliquee au courant d'ecoulement puis utilisee pour decrire les structures des courants electriques et hydrodynamiques dans des geometries modeles. (III) Un systeme d'analyse de proteines est presente, permettant l'identification d'un melange de proteines. Il comporte un etage de separation electrophoretique suivi d'une digestion enzymatique.
Effectiveness of thermal ignition devices in lean hydrogen-air-steam mixtures. Final report

Deliberate ignition of hydrogen at low concentrations in reactor containment systems is one method of controlling hydrogen during degraded core accidents. Since many postulated accident conditions have substantial amounts of steam present, experiments have been performed to determine the hydrogen-air-steam concentration regimes in which ignitors would be effective. In these experiments, both a GM AC 7G thermal glow plug and a Tayco Model 3442 ignitor have been used. These ignitors have been installed in PWR containments with ice condensers and in BWR Mark III containments. This report presents the results of these ignitor effectiveness experiments, and gives the ignition limits and the effect of steam on the ignitor surface temperatures required for ignition.