Miracle-dz/UniFAR-FTUs huggingface dataset:
Dynamics of self-interstitial structures in body-centred-cubic W studied by molecular dynamics simulation

This study concerns a molecular dynamics (MD) simulation, using the embedded-atom method (EAM), of the self-diffusion of an interstitial in the bcc metal tungsten (W) at 2000 K. It is found that the interstitial moves only along (111) diagonals and that the switches to other nonparallel directions take place through a two-dimensional process. The (011) dumb-bell is central to this process. Movement along the (111) diagonals takes place through (111) crowdions occupying 2-6 lattice sites. The probabilities of a direction switch and a move are 0.249 and 0.751, respectively. Translating the complicated movement mechanism into the simple picture of interstitial hopping between lattice points, the diffusion velocity is calculated to be 520 m s(-1), and the activation energy for the interstitial self-diffusion is calculated to be 0.54 eV/interstitial.
Spectrally-Based Tree Species Identification and Mapping Using High-Resolution Satellite Imagery

A better measure of above-ground biomass for tropical forests can improve assessments of the effect of forests on the global climate through the carbon cycle. Estimates of above-ground biomass vary significantly, and achieving a more accurate measure would allow scientists to accurately assess the role of trees on the global climate and how this can be proactively addressed through efforts such as carbon offset programs. A first critical step in achieving this goal is an accurate assessment of tree species, as each species represents a different biomass measure. This dissertation utilized high-resolution remote sensing imagery to achieve tree species differentiation in a complex tropical forest assemblage. La Selva Biological Station in Costa Rica was the chosen study cite due to its advantageous proximity to a representative biome of diverse lowland Atlantic tropical forests in Central America. In addition, the facility has access to established canopy towers for spectral data acquisition and field validation of individual tree canopies. The first step in the research effort was the development of a validated data and image-processing schema demonstrating the capability of current meter-scale satellite technology to identify specific tree species within a tropical forest. This included the process of properly calibrating and correcting field-acquired tree spectral data and WorldView-3 image data for viewing and illumination geometry. Assessments of three current atmospheric compensation methods for correcting recent WorldView-3 satellite imagery
The preparation of flowerlike ZnMn2O4 microspheres assembled with porous nanosheets and their lithium battery performance as anode materials

In this paper, hierarchical ZnMn2O4 microspheres assembled with porous nanosheets have been synthesized by a facile solvothermal process and post annealing method. A possible formation mechanism for this unique structure is proposed based on a detailed time-dependent investigation. As a virtue of its beneficial structural features, the electrochemical tests of the as-synthesized hierarchical ZnMn2O4 microspheres exhibit an enhanced lithium storage capacity and an excellent cycling stability (662 mA h g−1 at 100 mA g−1 after 120 cycles). This may be attributed to their unique structural features of favoring the diffusion of Li+ ions and electrode–electrolyte contacts during the electrochemical reaction and enhanced structural integrity with sufficient void space for buffering the volume variation during the Li+ insertion and extraction. These results indicate that hierarchical ZnMn2O4 microspheres assembled with porous nanosheets are promising anode materials for highly reversible lithium-ion batteries.
Regulation of Endogenous Excitatory Neurotransmitters by Isoprostanes

We have evidence that isoprostanes (IsoPs) regulate exogenously applied excitatory amino acid neurotransmitter glutamate in bovine retina, in vitro. However, the regulation of retinal endogenous glutamate by IsoPs is unknown. The objective of the present study was to investigate the effect of 8-isoprostaglandin E2 (8-isoPGE2) on endogenous levels of glutamate and its metabolite, glutamine in bovine retina, ex vivo. Freshly isolated bovine eyeballs were injected intravitreally with 8isoPGE2 and retina and vitreous humor were isolated for measurement of amino acids using high pressure liquid chromatography. 8-isoPGE2 caused a concentration-dependent attenuation of retinal glutamate and glutamine levels. For instance, 8-isoPGE2 (1 μM and 100 μM) significantly (p<0.001) attenuated glutamate levels by 33.9% and 48.0%, respectively. 8-isoPGE2 (100 μM) inhibited (p<0.01) retinal glutamine levels by 37.7%. The IsoP exhibited no effect on glutamine levels in the vitreous humor while glutamate was not detected in the vitreous humor. To investigate whether prostanoid production is involved in the inhibitory effect of 8-isoPGE2, eyeballs were pretreated with either flurbiprofen, a nonselective COX inhibitor; NS-398, a selective COX-2 inhibitor or furegrelate, a thromboxane (Tx) synthase inhibitor. All the three enzyme inhibitors had no effect (p>0.05) on the inhibitory effects of 8-isoPGE2 (1μM-100μM) on retinal glutamate and glutamine concentrations. To determine the role of prostanoid receptors in the effects of 8-isoPGE2, eyeballs were pretreated with the prostanoid receptor antagonists SC-19220 (EP1), AH-6809 (EP2/3), AH-23848 (EP4) or SQ-29548 (TP). SC-19220 (3 μM-30 μM), AH-6809 (3 μM-30 μM) and AH-23848 (3 μM-30 μM) reversed the inhibitory effects of 8-isoPGE2 on glutamate and glutamine levels in a concentrationdependent manner. As a positive control, the EP receptor agonist, PGE2 (10 μM) inhibited glutamate and glutamine levels by 48.4% (p<0.001) and 45.3% (p<0.001),
Environmental influences on flour composition, dough rheology, and baking quality of spring wheat

ABSTRACT The highly variable environmental conditions across the Pacific Northwest (PNW) influence the milling and baking quality of wheat grain produced in this region. This study was conducted to compare the flour composition, dough rheology, and baking quality of soft and hard spring wheat grain produced in diverse environments. Thirteen soft and five hard spring wheat cultivars were grown at Lind, WA (semiarid) and Fairfield, WA (high precipitation) for three years. Grain was evaluated for flour composition, rheology, and experimental baked product quality. Flour composition, rheological properties, and baking qualities were primarily influenced by the environment. Protein contents, microSDS values, and water absorption levels were significantly (P < 0.0001) higher for all cultivars grown at Lind compared with those from Fairfield. Cookie diameters were larger (P < 0.0001) for soft flours from Fairfield, whereas loaf volumes were higher (P < 0.0001) for hard wheat flours from Lind. Results indicate th.
Atributos físicos de um argissolo em sistemas de culturas de longa duração sob semeadura direta

No-tillage associated to cover crops may maintain soil quality, improving or preserving favorable soil physical conditions for plant growth. This study assessed soil bulk density, porosity, penetration resistance, and water infiltration of a PALEUDALF, in the Experimental Area of the Soil Science Department of the Federal University of Santa Maria, in Santa Maria, RS, Brazil, in an experiment started in 1991, with the following crop successions and rotations: (1) Corn/Soybean - Jackbean - MFP; (2) Bare soil - SDES; (3) Corn/Soybean - Fallow -POU; (4) Corn/Soybean - Ryegrass + Vetch - AZEV; (5) Corn/Soybean - Mucuna - MUC; (7) Natural Grass - CNA; (6) Corn/Soybean - Oilseed radish - NFO. Soil bulk density was affected in the 0-0.10 m layer; values were highest in the SDES. Total soil porosity and soil macroporosity were closely correlated to a depth of 0.10 m. Major restriction to root penetration occurred in the surface layer (0-0.03 m) in the SDES treatment, and NFO had greatest values at 0.16-0.18 m depth. The water infiltration rate was lowest in SDES and CNA treatments in all evaluations, while in the others infiltration was constant and statistically equal. Constantly uncovered soil induces degradation in soil physical properties. The studied cropping systems confirmed significant benefits in soil density, porosity, resistance, and water infiltration rate under long term no-tillage.
Progress in Primary Acoustic Thermometry at NIST: 273 K to 505 K

The NIST Acoustic Thermometer determines the thermodynamic temperature by measuring the speed of sound of argon in a spherical cavity. We obtained the thermodynamic temperature of three fixed points on the International Temperature Scale of 1990: the melting point of gallium [T(Ga) = 302.9146 K] and the freezing points of indium [T(In) = 429.7485 K] and tin [T(Sn) = 505.078 K]. The deviations of thermodynamic temperature from the ITS‐90 defined temperatures are T − T90 = (4.7 ± 0.6) mK at T(Ga) , T − T90 = (8.8 ± 1.5) mK at T(In) , and T − T90 = (10.7 ± 3.0) mK at T(Sn) , where the uncertainties are for a coverage factor of k = 1. Our results at T(In) and T(Sn) reduce the uncertainty of T − T90 by a factor of two in this range. Both T − T90 at T(Ga) and the measured thermal expansion of the resonator between the triple point of water and T(Ga) are in excellent agreement with the 1992 determination at NIST. The dominant uncertainties in the present data come from frequency‐dependent and time‐dependent cros.
In-Line Impactor Inlet for Bioaerosol Sampling

The proof of concept of a novel in-line real impactor (IRI) for preseparation of large particles in ambient inlets was demonstrated with a 1,250 L/min design. Numerical simulations predicted a cutpoint Stokes number 0.3 for a ratio of jet-to-plate spacing to jet width (S/W) of 2.0 and 0.5 for a ratio of 4.0. This variation in cutpoint Stokes number allows minor adjustments in cutpoint for a given device size. Experimental benchmark tests support the prediction of a shift in cutpoint with S/W. Inlet systems with flow rates of 100 and 400 L/min were designed by Stokes scaling of the 1,250 L/min IRI and integrating the lower flow devices with an existing inlet aspiration section and an insect screen. Experiments with the inlet system were conducted in a wind tunnel with particles from 3 to 20 μm aerodynamic diameter (AD) and wind speeds of 2, 8, and 24 km/h. A nominal cutpoint of approximately 11 μm AD was selected to accommodate bioaerosol sampling needs, and the wind tunnel results showed the average cutpoints of the 100 and 400 L/min inlet systems at the three wind speeds were 11.2 and 11.6 μm AD, respectively. Stand-alone tests with the 100 and 400 L/min IRIs were conducted where dry dusts (Arizona road dust/fine and coarse) were impacted on three types of collection surfaces (dry, grease-coated, and oil-soaked porous surfaces) to characterize solid particle carryover. The oil-soaked porous media allowed the least carryover of large solid particles.
The Influence of Phonon Scattering on HREM Images

The influence of thermal atomic vibrations in high-resolution electron microscopy is modeled by combining time-resolved molecular dynamics simulations with the multislice algorithm of HREM image simulation. The material studied is stoichiometric NiAl-B2 at room temperature and at 900 K. The difference between the new method of image calculation and conventional calculations by Debye–Waller factors and absorption parameters is examined in detail. The difference between images calculated with and without thermal diffuse scattering (TDS) is found to be surprisingly small owing to the small thickness of typical HREM specimens of about 10 nm.
Remote Diagnostic Measurements of Hall Thruster Plumes

Abstract : This paper describes measurements of Hall thruster plumes that characterize ion energy distributions and charge state fractions using remotely located plasma diagnostics. Plume measurements were performed using electrostatic analyzers (ESAs) and ExB probes from Plasma Controls, LLC on ion and plasma sources at Colorado State University (CSU) and Hall thrusters operated at the Air Force Institute of Technology (AFIT) and the Air Force Research Laboratory (AFRL). Data are presented from ion source testing at CSU that demonstrated the performance of ESA and ExB probes to characterize energy and charge state. Next, energy and charge state measurements are described from testing of a 200 W Hall thruster at AFIT. Measurements showed variation in the ion energy distribution with changes in thruster power and an increase in the fractions of multiply charged ions with increasing azimuthal position. Finally, ExB probe charge state measurements are presented from a 6-kW laboratory Hall thruster operated at low discharge voltage levels at AFRL/RZSS. Like the 200 W Hall thruster measurements at AFIT, results from the 6-kW Hall thruster showed an increase in the fractions of multiply charged ions with increasing azimuthal position.
Spectroscopic and structural characterization of a phosphavinylidene carbenoid, Mes*-P=C(Cl){Li(DME)(2)}: Stabilization of a carbenanionic center by a cisoid lone pair interaction

Characterization of the phosphavinylidene carbenoid DME-solvate (Z)-Mes*-PC(Cl){Li(DME)2} (Z-2a) or the corresponding THF-solvate (Z-2b) by low-temperature X-ray diffractometry and multinuclear NMR.
Miscellaneous Studies in Decoupling

Abstract : Keywords: Decoupling; Regional phases; Scaled depth; Frequency dependent; Strain dependent. Contents: Analysis of Project Cowboy Strong Motion Data; Effect of Scaled Depth on Regional Phases; Deconvolution and Spectral Ratios from Soviet Salt Shots; and Deconvolution and Spectral Ratios from Soviet Salt Short; and Analysis of Data from Soviet Salt Shots with Known Yields.
Cognitive Radio on a Reconfigurable MPSoC Platform

Due to the explosive growth of wireless communication, the demands for radio spectrum are rapidly increasing. It is very di±cult to accommodate new wireless services under the current spectrum allocation scheme. On the other hand, the allocated spectrum is not e±ciently utilized. Cognitive Radio is proposed as a technology to solve the imbalance between spectrum scarcity and spectrum under-utilization. Spectrum utilization can be im- proved by making it possible for a user who does not have the license for spectrum (secondary user) to access the spectrum which is not occupied by the licensed user (primary user). This secondary user has the awareness of the spectrum and adapts its transmission accordingly on a non-interference basis. This spectrum access and awareness scheme is referred to as Cogni- tive Radio. The idea is also known as Dynamic Spectrum Access (DSA) or Open Spectrum Access (OSA). Cognitive Radio is seen as the ¯nal point of software defined radio (SDR) platform evolution. A fully °exible and e±cient software defined radio platform will be the enabling technology for Cognitive Radio. Cognitive Radio imposes a number of requirements on the processing platform such as °exibility, energy e±ciency and guaranteed throughput/latency. The trend in the implementation of SDR is moving towards Multiprocessor System-on-Chip (MPSoC) platforms. The work of this PhD thesis is part of the Ad-hoc Adaptive Freeband (AAF) project. The aim of the AAF project is to design a Cognitive Radio based wireless ad-hoc network for emergency situations. Although the AAF project addresses Cognitive Radio in a holistic fashion from physical layer to networking issues, the work of this thesis mainly focuses on the design of the adaptive physical layer (baseband processing). The physical layer consid- ered in this thesis mainly consists of two parts: transmission and spectrum sensing. A reconfigurable MPSoC platform is used to support the adap- tive baseband processing of Cognitive Radio. A coarse-grain recon¯gurable processor called the Montium, developed at the University of Twente, is considered in this thesis as a key element of the proposed MPSoC platform.
Microfibrillated cellulose, a new cellulose product: properties, uses, and commercial potential

A new form of cellulose, which is expanded to a smooth gel when dispersed in polar liquids, is produced by a unique, rapid, physical treatment of wood cellulose pulps. A 2% suspension of microfibrillated cellulose (MFC) in water has thixotropic viscosity properties and is a stable gel on storage, or when subjected to freeze-thaw cycles. At this concentration, MFC is an excellent suspending medium for other solids and an emulsifying base for organic liquids. In laboratory tests, microfibrillated cellulose has been demonstrated to have wide utility in the preparation of foods such as low-calorie whipped toppings, cake frostings, salad dressings, gravies, and sauces. At 0.3% cellulose concentration in ground meats, MFC helps retain juices during cooking. Tests were also conducted in formulating paints, emulsions, and cosmetics and in the use of MFC as a binder for nonwoven textiles and as a mineral suspending agent. From economic studies, it is estimated that a 2% MFC dispersion can be produced for about 1.5 cents/lb, total cost. 6 references, 9 figures, 2 tables.
The Impact of Molecular Adsorption on the Quantized Electronic Structure of Oxide-Supported Nanoparticles

Electron quantization is a fundamental phenomenon that accompanies the transition from bulk metals to nanoclusters. The associated opening of an energy gap at the Fermi level crucially affects various properties of the nanostructures such as their electrical and optical behavior as well as their performance in catalytic reactions. Low-temperature scanning tunneling microscopy and spectroscopy has been employed to analyze the formation of quantum well states in two-dimensional gold nanostructures on Magnesium oxide ultrathin films, concentrating on the size regime between 50 and 300 atoms where the metal to nonmetal transition takes place. Starting with the investigation of gold clusters with arbitrary shape, the discrete electronic structure is rationalized by simple particle-in-a-box models. Additional density functional tight-binding approaches accounting for the true atomic structure of the aggregates corroborated the experimental findings. On the basis of statistical relevant single-island experiments, general conclusions on the dependence of the energy gap on the cluster size and shape, and the real confinement potential depth are drawn. Subsequent comparison experiments of gold nanostructures grown on thin Magnesium oxide and thick Calcium oxide films reveal the role of a permanent charge transfer into ad-particles, that is associated to an enhanced chemical reactivity of the metal-oxide systems. The excess charges primarily localize at the rim of the clusters and originate either from electron shuttling from the underlaying metal support, or by charge donation from single-ion impurities embedded in bulk-like oxides. Both processes result in the formation of charged nanoparticles with identical properties, such as pronounced electron confinement effects, monolayer island-growth and characteristic depressions in the oxide regions surrounding the particle. Finally the impact of molecular adsorption on the quantized electronic structure of individual oxide-supported metal particles is investigated. For this purpose, isophorone and carbon dioxide, as prototype molecules for physisorptive and chemisorptive binding, were dosed onto the gold nanostruc-
Evaluation of Selective Sorbents for the Extraction of Valuable Metal Ions (Cs, Rb, Li, U) from Reverse Osmosis Rejected Brine

Abstract Three commercially available sorbents/exchangers (namely CsTreat, ZrP, and S910) were evaluated under column conditions for the extraction of four metals (Cs(I), Rb(I), Li(I), and U(VI)) from a brine rejected by a Seawater Reverse Osmosis plant. From the obtained breakthrough curves and periodic analysis of the influent and effluent, the uptake capacities of the materials were quantified. The fixation of the target metal onto the sorbents was investigated also by SEM-EDX and FTIR-ATR analysis. The results showed that CsTreat displayed a high sorption capacity of Rb(I) and a fairly high sorption capacity of Cs(I), as the resin S910 showed of U(VI), while ZrP proved to be ineffective for the retention of Li(I).
Composition of flavonoid phenolic polymers isolated from red wine during maceration and significance of flavan-3-ols in foods pertaining to biological activity

approved: _________________________________________________ James A. Kennedy Representing the most common flavonoid consumed in the American diet, the flavanols and their polymeric condensation products, the proanthocyanidins, are regarded as functional ingredients in various beverages, whole and processed foods, herbal remedies and supplements. Their presence in food affects food quality parameters including astringency, bitterness, sourness, sweetness, salivary viscosity, aroma, and color formation. The ability of flavonoids to aid food functionality has also been established in terms of microbial stability, foamability, oxidative stability, and heat stability. Phenolic polymer material of the flavonoid family is of considerable interest in the study of red wine, as phenolic quantity and structure can significantly affect wine quality. Although a considerable amount of the phenolic polymer material extracted into red wine during fermentation can be accounted for and characterized as known compounds, a substantial portion of the material remains uncharacterized. During this investigation phenolic polymer material extracted during commercial red wine fermentations (Vitis vinifera L.cv Pinot noir) was isolated and analyzed in order to characterize its chemical composition. Phenolic polymer isolates were prepared from samples taken throughout fermentation and isolated by adsorption chromatography. Isolates were subjected to phloroglucinolysis to analyze proanthocyanidin amount as well as subunit composition. Investigation results revealed that known proanthocyanidin content of individual phenolic polymer isolates varied from 27 to 54%. Subsequent analyses were performed in order to quantify material other than known proanthocyanidin subunits. Results of all experiments accounted for up to 82% of the phenolic polymer isolates by mass. Phenolic polymers such as the proanthocyanidins have also become the interest of several investigations due to their potential to provide a variety of health beneficial effects by acting as antioxidant, anticarcinogen, cardiopreventive, antimicrobial, anti-viral, and neuro-protective agents. Such health beneficial effects have been correlated to proanthocyanidin structure-related functionality that allows them to behave as signaling molecules at the molecular level. Consumption of proanthocyanidin rich foods has also reportedly been linked to health detrimental effects including the activation of procarcinogens, reactive oxygen species formation (pro-oxidant activity), hemorrhage formation, hepatotoxicity initiation, pharmacokinetics of therapeutic drug alteration, estrogenic tumor formation, mutagenicity, plasma biochemistry modification, gastroenteritis instigation, antinutritive activity and weight loss. ©Copyright by Patricia M. Aron March 12, 2007 All Rights Reserved Composition of Flavonoid Phenolic Polymers Isolated From Red Wine During Maceration and Significance of Flavan-3-ols in Foods Pertaining to Biological Activity