The electronic structure, crystalline feature and morphology of the tetrahydrofuran (THF) treated magnesium, along with its hydriding and dehydriding properties have been investigated. The THF treated magnesium absorbs 6.3 wt per cent hydrogen at 723K and 3.5 MPa. After hydrogenation, in addition to the expected MgH2, a new less-stable hydride phase appears at 673K, but not at a lower temperature. Desorption produces 5.5 wt per cent hydrogen at 723K against a back pressure of 1.3 Pa after 20 cycles of hydriding-dehydriding. The THF treatment improves the kinetics of hydrogen absorption and desorption significantly. From 723K to 623K, the THF treated Mg demonstrates acceptable reaction rates. XPS studies show that tetrahydrofuran treatment causes the electronic energy state of the magnesium surface atoms to change, but the XRD studies show the crystal structure remains unchanged. Metallographic observation of the bulk hydrides of THF treated magnesium reveal they are poly-crystalline wi th the wide-spreading slip bands and twins within the crystals, indicating the phase transformation upon hydriding causes serious stress and distortion. It appears this microstructural deformation explains the much higher energy requirements (higher pressure and temperature) for magnesium hydrogenation than the simple lattice expansion that accompany hydrogen uptake for LaNi5 and FeTi.

We report on a search for the pair production of scalar leptoquarks, LQ, using 191 pb{sup -1} of proton-antiproton collision data recorded by the CDF experiment during Run II of the Tevatron. The leptoquarks are sought via their decay into a neutrino and quark yielding missing transverse energy and several jets of large transverse energy. No evidence for leptoquark production is observed, and limits are set on {sigma}(p{bar p} {yields} LQ{ovr OQ}X {yields} v{bar v}q{bar q}X). Using a next-to-leading order theoretical prediction of the cross section for scalar leptoquark production, we exclude first-generation leptoquarks in the mass interval 78 to 117 GeV/c{sup 2} at the 95% confidence level for BR(LQ {yields} vq) = 100%.

The Advanced Photon Source (APS) uses Nd-Fe-B permanent magnets in the insertion devices to produce x-rays for scientific research [1,2]. Earlier investigations have exhibited varying degrees of demagnetization of these magnets [3] due to irradiation from electron beams [4,5,6], {sup 60}Co {gamma}-rays [5], and high-energy neutrons [7,8]. Radiation-induced demagnetization has been observed in the APS insertion devices [9] and was first measured in December of 2001. Partial demagnetization has also been observed in insertion devices at the European Synchrotron Radiation Facility (ESRF) [4,6], where Nd-Fe-B permanent magnets are also used. Growing concern for the lifetime of APS insertion devices, as well as the permanent magnets that will be used in next-generation, high-power light sources, like the FEL [10,11], resulted from the partial demagnetization observations made at both facilities. This concern in relation to radiation-induced demagnetization spurred a long-term project to measure and analyze the absorbed doses received by the APS insertion devices. The project required a reliable photon high-dose dosimetry technique capable of measuring absorbed doses greater than 10{sup 6} rad, which was not readily available at the APS. Through a collaboration with the National Institute of Standards and Technology (NIST), one such technique using radiachromic films was considered, tested, …

Field and laboratory investigations of naturally occurring CO{sub 2}-reservoirs are being conducted to determine the characteristics of potential seal and reservoir units and the extent of the interactions that occur between the host rocks and the CO{sub 2} charged fluids. Efforts have focused on the Farnham Dome field, located in central Utah, the Springerville-St. Johns field in Arizona and New Mexico, and most recently, the Crystal Geyser-Salt Wash graben areas with their CO{sub 2}-charged geysers and springs in central Utah. At both the Springerville-St. Johns field and the central Utah CO{sub 2} spring area, there is evidence of extensive travertine deposits that document release of CO{sub 2} to the atmosphere. At Farnham Dome, calcite debris fields appear to be remnants of vein calcite and an earlier period of fluid leakage. The main achievements during this quarter are (1): preparation for a soil gas flux survey in October at the Crystal Geyser --Little Grand Wash fault zone, and the Salt Wash graben; (2) submission of an abstract to the upcoming Measurement, Monitoring and Verification session at the Fall AGU meeting; (3) submission of an invited abstract to the Gordon Conference on Hydrocarbon Resources; and (4) receipt of initial radiocarbon dates of …

Fermilab plans to deliver 5-15 fb{sup -1} of integrated luminosity to the CDF and D0 experiments. The current inner silicon detectors at CDF (SVXIIa and L00) will not tolerate the radiation dose associated with high luminosity running and will need to be replaced. A new readout chip (SVX4) has been designed in radiation-hard 0.25 {micro}m CMOS technology. Single sided sensors are arranged in a compact structure, called a stave, with integrated readout and cooling systems. This paper describes the general design of the Run IIb system, testing results of prototype electrical components (staves), and prototype silicon sensor performance before and after irradiation.

From May 11--15, 2004, the Institute for Mathematics and its Applications held a hot topics workshop on Compatible Spatial Discretizations for Partial Differential Equations. The numerical solution of partial differential equations (PDE) is a fundamental task in science and engineering. The goal of the workshop was to bring together a spectrum of scientists at the forefront of the research in the numerical solution of PDEs to discuss compatible spatial discretizations. We define compatible spatial discretizations as those that inherit or mimic fundamental properties of the PDE such as topology, conservation, symmetries, and positivity structures and maximum principles. A wide variety of discretization methods applied across a wide range of scientific and engineering applications have been designed to or found to inherit or mimic intrinsic spatial structure and reproduce fundamental properties of the solution of the continuous PDE model at the finite dimensional level. A profusion of such methods and concepts relevant to understanding them have been developed and explored: mixed finite element methods, mimetic finite differences, support operator methods, control volume methods, discrete differential forms, Whitney forms, conservative differencing, discrete Hodge operators, discrete Helmholtz decomposition, finite integration techniques, staggered grid and dual grid methods, etc. This workshop seeks to foster …

An adaptive optical system used to correct horizontal beam propagation paths has been demonstrated. This system utilizes an interferometric wave-front sensor and a large-actuator-number MEMS-based spatial light modulator to correct the aberrations incurred by the beam after propagation along the path. Horizontal path correction presents a severe challenge to adaptive optics systems due to the short atmospheric transverse coherence length and the high degree of scintillation incurred by laser propagation along these paths. Unlike wave-front sensors that detect phase gradients, however, the interferometric wave-front sensor measures the wrapped phase directly. Because the system operates with nearly monochromatic light and uses a segmented spatial light modulator, it does not require that the phase be unwrapped to provide a correction and it also does not require a global reconstruction of the wave-front to determine the phase as required by gradient detecting wave-front sensors. As a result, issues with branch points are eliminated. Because the atmospheric probe beam is mixed with a large amplitude reference beam, it can be made to operate in a photon noise limited regime making its performance relatively unaffected by scintillation. The MEMS-based spatial light modulator in the system contains 1024 pixels and is controlled to speeds in excess …

OAK-B135 This report summarizes activities and results of investigations of the potential environmental consequences of direct injection of carbon dioxide into the deep-sea as a carbon sequestration method. Results of field experiments using small scale in situ releases of liquid CO2 are described in detail. The major conclusions of these experiments are that mortality rates of deep sea biota will vary depending on the concentrations of CO2 in deep ocean waters that result from a carbon sequestration project. Large changes in seawater acidity and carbon dioxide content near CO2 release sites will likely cause significant harm to deep-sea marine life. Smaller changes in seawater chemistry at greater distances from release sites will be less harmful, but may result in significant ecosystem changes.

Alumina aerogels were prepared through the addition of propylene oxide to aqueous or ethanolic solutions of hydrated aluminum salts, AlCl{sub 3} {center_dot} 6H{sub 2}O or Al(NO{sub 3}){sub 3} {center_dot} 9H{sub 2}O, followed by drying with supercritical CO{sub 2}. This technique affords low-density (60-130 kg/m{sup 3}), high surface area (600-700 m{sup 2}/g) alumina aerogel monoliths without the use of alkoxide precursors. The dried alumina aerogels were characterized using elemental analysis, high-resolution transmission electron microscopy, powder X-ray diffraction, solid state NMR, acoustic measurements and nitrogen adsorption/desorption analysis. Powder X-ray diffraction and TEM analysis indicated that the aerogel prepared from hydrated AlCl{sub 3} in water or ethanol possessed microstructures containing highly reticulated networks of pseudoboehmite fibers, 2-5 nm in diameter and of varying lengths, while the aerogels prepared from hydrated Al(NO{sub 3}){sub 3} in ethanol were amorphous with microstructures comprised of interconnected spherical particles with diameters in the 5-15 nm range. The difference in microstructure resulted in each type of aerogel displaying distinct physical and mechanical properties. In particular, the alumina aerogels with the weblike microstructure were far more mechanically robust than those with the colloidal network, based on acoustic measurements. Both types of alumina aerogels can be transformed to {gamma}-Al{sub 2}O{sub 3} …

Under anaerobic conditions and at circumneutral pH, cells of the widely-distributed, obligate chemolithoautotrophic bacterium Thiobacillus denitrificans oxidatively dissolved synthetic and biogenic U(IV) oxides (uraninite) in nitrate-dependent fashion: U(IV) oxidation required the presence of nitrate and was strongly correlated to nitrate consumption. This is the first report of anaerobic U(IV) oxidation by an autotrophic bacterium.

In order to obtain formulas providing estimates for elastic constants of random polycrystals of laminates, some known rigorous bounds of Peselnick, Meister, and Watt are first simplified. Then, some new self-consistent estimates are formulated based on the resulting analytical structure of these bounds. A numerical study is made, assuming first that the internal structure (i.e., the laminated grain structure) is not known, and then that it is known. The purpose of this aspect of the study is to attempt to quantify the differences in the predictions of properties of the same system being modeled when such internal structure of the composite medium and spatial correlation information is and is not available.

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With the nation's coal-burning utilities facing the possibility of tighter controls on mercury pollutants, the U.S. Department of Energy is funding projects that could offer power plant operators better ways to reduce these emissions at much lower costs. Mercury is known to have toxic effects on the nervous systems of humans and wildlife. Although it exists only in trace amounts in coal, mercury is released when coal burns and can accumulate on land and in water. In water, bacteria transform the metal into methylmercury, the most hazardous form of the metal. Methylmercury can collect in fish and marine mammals in concentrations hundreds of thousands times higher than the levels in surrounding waters. One of the goals of DOE is to develop technologies by 2005 that will be capable of cutting mercury emissions 50 to 70 percent at well under one-half of projected DOE/EPA early cost estimates. ADA Environmental Solutions (ADA-ES) is managing a project to test mercury control technologies at full scale at four different power plants from 2000-2003. The ADA-ES project is focused on those power plants that are not equipped with wet flue gas desulfurization systems. ADA-ES has developed a portable system that was tested at four different …

With the Nation's coal-burning utilities facing the possibility of tighter controls on mercury pollutants, the U.S. Department of Energy is funding projects that could offer power plant operators better ways to reduce these emissions at much lower costs. Sorbent injection technology represents one of the simplest and most mature approaches to controlling mercury emissions from coal-fired boilers. It involves injecting a solid material such as powdered activated carbon into the flue gas. The gas-phase mercury in the flue gas contacts the sorbent and attaches to its surface. The sorbent with the mercury attached is then collected by the existing particle control device along with the other solid material, primarily fly ash. During 2001, ADA Environmental Solutions (ADA-ES) conducted a full-scale demonstration of sorbent-based mercury control technology at the Alabama Power E.C. Gaston Station (Wilsonville, Alabama). This unit burns a low-sulfur bituminous coal and uses a hot-side electrostatic precipitator (ESP) in combination with a Compact Hybrid Particulate Collector (COHPAC{reg_sign}) baghouse to collect fly ash. The majority of the fly ash is collected in the ESP with the residual being collected in the COHPAC{reg_sign} baghouse. Activated carbon was injected between the ESP and COHPAC{reg_sign} units to collect the mercury. Short-term mercury removal …

An intermediate regime for tokamak operation has been obtained in DIII-D and in other tokamaks in which the inductive flux consumption is reduced and a broad current profile with the safety factor just above or near the sawtoothing limit is obtained and maintained. The DIII-D tokamak was operated in this regime near the no-wall b limit. High stability and good confinement was achieved at a desired level of q{sub 95} {approx} 3 to 4 for durations as long as 35{tau}{sub E}, three times the current-diffusion time. This regime offers the promise of achieving higher fusion gain and yield and/or longer burn duration for ITER.

Researchers at Lawrence Livermore National Laboratory have developed several techniques to probe the properties of Plutonium using tiny microgram-to-milligram samples. This commentary describes the advantages of this experimental approach, and contains examples of successful experimental setups. One motivation for such experiments is that they couple well to computational simulations of electronic and atomistic properties and processes, and examples of this coupling are discussed.

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X-ray free-electron lasers will produce pulses of x-rays that are 10 orders of magnitude brighter than today's undulator sources at synchrotrons. This may enable atomic resolution imaging of single macromolecules.

Electron impact excitation cross sections have been measured for iron L-shell 3 {yields} 2 lines of FeXXI to FeXXIV at the EBIT-II electron beam ion trap using a crystal spectrometer and a 6 x 6-element array microcalorimeter. The cross sections were determined by direct normalization to the well established cross section of radiative electron capture and a summary of calculated energy dependent radiative recombination cross sections for electron capture into the ground state fine structure levels of Fe{sup 16+} to Fe{sup 23+} ions is given. The measurement results for 17 lines and their comparison with model calculations are presented. While agreement of the model calculations with experiment is good for most measured lines, significant discrepancies were found for a few lines, including the strongest line in Fe XXI.

This report describes a signal processing algorithm and MATLAB software for improving spatial resolution in ultrasonic nondestructive evaluation (NDE) imaging of materials. Given a measured reflection signal and an associated reference signal, the algorithm produces an optimal least-squares estimate of the impulse response of the material under test. This estimated impulse response, when used in place of the raw reflection signal, enhances the spatial resolution of the ultrasonic measurements by removing distortion caused by the limited-bandwidth transducers and the materials under test. The theory behind the processing algorithms is briefly presented, while the reader is referred to the bibliography for details. The main focus of the report is to describe how to use the MATLAB software. Two processing examples using actual ultrasonic measurements are provided for tutorial purposes.

LUX is a design study to develop concepts for future ultrafast x-ray facilities. Presently, LUX is based on an electron beam accelerated to {approx}3-GeV energy in a superconducting, recirculating linac. Included in the design are multiple free-electron laser (FEL) beamlines which use the harmonic cascade approach to produce coherent XUV and soft X-ray emission beginning with a strong input seed at {approx}200-nm wavelength obtained from a ''conventional'' laser. Each cascade module generally operates in the low-gain regime and is composed of a radiator together with a modulator section, separated by a magnetic chicane. The chicane temporally delays the electron beam pulse in order that a ''virgin'' pulse region (with undegraded energy spread) be brought into synchronism with the radiation pulse. For a given cascade, the output photon energy can be selected over a wide range by varying the seed laser wavelength and the field strength in the undulators. We present numerical simulation results, as well as those from analytical models, to examine certain aspects of the predicted FEL performance. We also discuss lattice considerations pertinent to harmonic cascade FELs, some sensitivity studies and requirements on the undulator alignment, and temporal pulse evolution initiated by short input radiation seeds.

We describe ProteinShop, a new visualization tool that streamlines and simplifies the process of determining optimal protein folds. ProteinShop may be used at different stages of a protein structure prediction process. First, it can create protein configurations containing secondary structures specified by the user. Second, it can interactively manipulate protein fragments to achieve desired folds by adjusting the dihedral angles of selected coil regions using an Inverse Kinematics method. Last, it serves as a visual framework to monitor and steer a protein structure prediction process that may be running on a remote machine. ProteinShop was used to create initial configurations for a protein structure prediction method developed by a team that competed in CASP5. ProteinShop's use accelerated the process of generating initial configurations, reducing the time required from days to hours. This paper describes the structure of ProteinShop and discusses its main features.

The 2004 Gordon Research Conference on Atomic and Molecular Interactions was held July 11-16 at Colby-Sawyer College, New London, New Hampshire. This latest edition in a long-standing conference series featured invited talks and contributed poster papers on dynamics and intermolecular interactions in a variety of environments, ranging from the gas phase through surfaces and condensed media. A total of 90 conferees participated in the conference.