The balancing domain decomposition methods by constraints are extended to solving both nonsymmetric, positive definite and symmetric, indefinite linear systems. In both cases, certain nonstandard primal constraints are included in the coarse problems of BDDC algorithms to accelerate the convergence. Under the assumption that the subdomain size is small enough, a convergence rate estimate for the GMRES iteration is established that the rate is independent of the number of subdomains and depends only slightly on the subdomain problem size. Numerical experiments for several two-dimensional examples illustrate the fast convergence of the proposed algorithms.

Pendeo-epitaxy has been applied to nonpolar a-plane GaN layers in order to observe if such process will lead to defect reduction in comparison with direct growth on this plane. Uncoalesced and coalesced a-plane GaN layers with thicknesses 2{micro}m and 12{micro}m, respectively have been studied by conventional and high resolution electron microscopy. The following structural defects have been observed in pendeo-epitaxial layers: (1) basal stacking faults, (2) threading dislocations and (3) prismatic stacking faults. Drastic decrease of threading dislocation density and stacking faults have been observed in 'wing' areas with respect to 'seed' areas. Cross-section images reveal cracks and voids at the areas where two coalesced wings meet each other. High resolution electron microscopy shows that the majority of stacking faults are low-energy planar defects of the types I{sub 1}, I{sub 2} and I{sub 3}. The I{sub 3} type basal stacking fault, predicted theoretically, has been observed experimentally for the first time.

The objectives for this workshop were to bring together those with different viewpoints on the implementation of energy efficient ventilation in homes to share their perspectives. The primary benefit of the workshop is to allow the participants to get a broader understanding of the issues involved and thereby make themselves more able to achieve their own goals in this area. In order to achieve this objective each participant was asked to address four objectives from their point of view: (1) Drivers for energy efficient residential ventilation: Why is this an important issue? Who cares about it? Where is the demand: occupants, utilities, regulation, programs, etc? What does sustainability mean in this context? (2) Markets & Technologies: What products, services and systems are out there? What kinds of things are in the pipeline? What is being installed now? Are there regional or other trends? What are the technology interactions with other equipment and the envelope? (3) Barriers to Implementation: What is stopping decision makers from implementing energy-efficient residential ventilation systems? What kind of barriers are there: technological, cost, informational, structural, etc. What is the critical path? (4) Solutions: What can be done to overcome the barriers and how can/should we do …

X-ray absorption near-edge structure (XANES) and x-ray emission spectroscopy (XES) measurements were used to investigate the effect of Mg doping in ZnO nanorods. The intensities of the features in the O K-edge XANES spectra of Zn{sub 1-x}Mg{sub x}O nanorods are lower than those of pure ZnO nanorods, suggesting that Mg doping increases the negative effective charge of O ions. XES and XANES spectra of O 2p states indicate that Mg doping raises (lowers) the conduction-band-minimum (valence-band-maximum) and increases the bandgap. The bandgap is found to increase linearly with the Mg content, as revealed by photoluminescence and combined XANES and XES measurements.

Recent in situ observations in stratiform clouds suggest that mixed phase regimes, here defined as limited cloud volumes containing both liquid and solid water, are constrained to narrow layers (order 100 m) separating all-liquid and fully glaciated volumes (Hallett and Viddaurre, 2005). The Department of Energy Atmospheric Radiation Measurement Program's (DOE-ARM, Ackerman and Stokes, 2003) North Slope of Alaska (NSA) ARM Climate Research Facility (ACRF) recently started collecting routine measurement of radar Doppler velocity power spectra from the Millimeter Cloud Radar (MMCR). Shupe et al. (2004) showed that Doppler spectra has potential to separate the contributions to the total reflectivity of the liquid and solid water in the radar volume, and thus to investigate further Hallett and Viddaurre's findings. The Mixed-Phase Arctic Cloud Experiment (MPACE) was conducted along the NSA to investigate the properties of Arctic mixed phase clouds (Verlinde et al., 2006). We present surface based remote sensing data from MPACE to discuss the fine-scale structure of the mixed-phase clouds observed during this experiment.

New software tools are introduced to facilitate diffraction experiments involving largenumbers of crystals. While existing programs have long provided a framework for lattice indexing, Bragg spot integration, and symmetry determination, these initial data processing steps often require significant manual effort. This limits the timely availability of data analysis needed for high-throughput procedures, including the selection of the best crystals from a large sample pool, and the calculation of optimal data collection parameters to assure complete spot coverage with minimal radiation damage. To make these protocols more efficient, we developed a network of software applications and application servers, collectively known as Web-Ice. When the package is installed at a crystallography beamline, a programming interface allows the beamline control software (e.g., Blu-Ice / DCSS) to trigger data analysis automatically. Results are organized based on a list of samples that the user provides, and are examined within a Web page, accessible both locally at the beamline or remotely. Optional programming interfaces permit the user tocontrol data acquisition through the Web browser. The system as a whole is implemented to support multiple users and multiple processors, and can be expanded to provide additional scientific functionality. Web-Ice has a distributed architecture consisting of several stand-alone …

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Evaluation of ion-atom charge-changing cross sections is needed for many accelerator applications. A classical trajectory Monte Carlo (CTMC) simulation has been used to calculate ionization and charge exchange cross sections. For benchmarking purposes, an extensive study has been performed for the simple case of hydrogen and helium targets in collisions with various ions. Despite the fact that the simulation only accounts for classical mechanics, the calculations are comparable to experimental results for projectile velocities in the region corresponding to the vicinity of the maximum cross section. Shortcomings of the CTMC method for multielectron target atoms are discussed.

The measured physical parameters of a superconducting cavity differ from those of the designed ideal cavity. This is due to shape deviations caused by both loose machine tolerances during fabrication and by the tuning process for the accelerating mode. We present a shape determination algorithm to solve for the unknown deviations from the ideal cavity using experimentally measured cavity data. The objective is to match the results of the deformed cavity model to experimental data through least-squares minimization. The inversion variables are unknown shape deformation parameters that describe perturbations of the ideal cavity. The constraint is the Maxwell eigenvalue problem. We solve the nonlinear optimization problem using a line-search based reduced space Gauss-Newton method where we compute shape sensitivities with a discrete adjoint approach. We present two shape determination examples, one from synthetic and the other from experimental data. The results demonstrate that the proposed algorithm is very effective in determining the deformed cavity shape.

Spark plasma sintering (SPS) is a remarkable method for synthesizing and consolidating a large variety of both novel and traditional materials. The process typically uses moderate uni-axial pressures (<100 MPa) in conjunction with a pulsing on-off DC current during operation. There are a number of mechanisms proposed to account for the enhanced sintering abilities of the SPS process. Of these mechanisms, the one most commonly put forth and the one that draws the most controversy involves the presence of momentary plasma generated between particles. This study employees three separate experimental methods in an attempt to determine the presence or absence of plasma during SPS. The methods employed include: in-situ atomic emission spectroscopy, direct visual observation and ultra-fast in-situ voltage measurements. It was found using these experimental techniques that no plasma is present during the SPS process. This result was confirmed using several different powders across a wide spectrum of SPS conditions.

The NanoSIMS 50 combines unprecedented spatial resolution (as good as 50 nm) with ultra-high sensitivity (minimum detection limit of {approx}200 atoms). The NanoSIMS 50 incorporates an array of detectors, enabling simultaneous collection of 5 species originating from the same sputtered volume of a sample. The primary ion beam (Cs{sup +} or O{sup -}) can be scanned across the sample to produce quantitative secondary ion images. This capability for multiple isotope imaging with high spatial resolution provides a novel new approach to the study of biological materials. Studies can be made of sub-regions of tissues, mammalian cells, and bacteria. Major, minor and trace element distributions can be mapped on a submicron scale, growth and metabolism can be tracked using stable isotope labels, and biogenic origin can be determined based on composition. We have applied this technique extensively to mammalian and prokaryotic cells and bacterial spores. The NanoSIMS technology enables the researcher to interrogate the fate of molecules of interest within cells and organs through elemental and isotopic labeling. Biological applications at LLNL will be discussed.

Reynolds lubrication approximation is used extensively to study flows between moving machine parts, in narrow channels, and in thin films. The solution of Reynolds equation may be thought of as the zeroth order term in an expansion of the solution of the Stokes equations in powers of the aspect ratio {var_epsilon} of the domain. In this paper, we show how to compute the terms in this expansion to arbitrary order on a two-dimensional, x-periodic domain and derive rigorous, a-priori error bounds for the difference between the exact solution and the truncated expansion solution. Unlike previous studies of this sort, the constants in our error bounds are either independent of the function h(x) describing the geometry, or depend on h and its derivatives in an explicit, intuitive way. Specifically, if the expansion is truncated at order 2k, the error is O({var_epsilon}{sup 2k+2}) and h enters into the error bound only through its first and third inverse moments {integral}{sub 0}{sup 1} h(x){sup -m} dx, m = 1,3 and via the max norms {parallel} 1/{ell}! h{sup {ell}-1}{partial_derivative}{sub x}{sup {ell}}h{parallel}{sub {infinity}}, 1 {le} {ell} {le} 2k + 2. We validate our estimates by comparing with finite element solutions and present numerical evidence that suggests …

RF electron guns are capable of producing electron bunches with high brightness, which outperform DC electron guns and may even be able to provide electron beams for the ILC without the need for a damping ring. However, all successful existing guns for polarized electrons are DC guns because the environment inside an RF gun is hostile to the GaAs cathode material necessary for polarization. While the typical vacuum pressure in a DC gun is better than 10{sup -11} torr the vacuum in an RF gun is in the order of 10{sup -9} torr. Experiments at BINP Novosibirsk show that this leads to strong ion back-bombardment and generation of dark currents, which destroy the GaAs cathode in a short time. The situation might be much more favorable in a (super-conducting) SRF gun. The cryogenic pumping of the gun cavity walls may make it possible to maintain a vacuum close to 10{sup -12} torr, solving the problem of ion bombardment and dark currents. Of concern would be contamination of the gun cavity by evaporating cathode material. This report describes an experiment that Brookhaven National Laboratory (BNL) in collaboration with Advanced Energy Systems (AES) is conducting to answer these questions.

We explore the possibility that all close binaries, i.e. those with periods {approx}< 3 d, including contact (W UMa) binaries, are produced from initially wider binaries (periods of say 10's of days) by the action of a triple companion through the medium of Kozai Cycles with Tidal Friction (KCTF).

We point out that during the reionization epoch of the cosmic history, the plasma collective effect among the ordinary matter would suppress the large scale structure formation. The imperfect Debye shielding at finite temperature would induce a residual long-range electrostatic potential which, working together with the baryon thermal pressure, would counter the gravitational collapse. As a result the effective Jean's length, {tilde {lambda}}{sub J}, is increased by a factor, {tilde {lambda}}{sub J}/{lambda}{sub J} = {radical}8/5, relative to the conventional one. For scales smaller than the effective Jean's scale the plasma would oscillate at the ion-acoustic frequency. The modes that would be influenced by this effect depend on the starting time and the initial temperature of reionization, but roughly lie in the range 0.5hMpc{sup -1} < k, which corresponds to the region of the Lyman-{alpha} forest from the inter-galactic medium. We predict that in the linear regime of density-contrast growth, the plasma suppression of the matter power spectrum would approach 1 - ({Omega}{sub dm}/{Omega}{sub m}){sup 2} {approx} 1 -(5/6){sup 2} {approx} 30%.

In acidic aqueous solutions, gluconate protonation is coupled with lactonization of gluconic acid. With the decrease of pC{sub H}, two lactones ({delta}/{gamma}) are sequentially formed. The {delta}-lactone forms more readily than the {gamma}-lactone. In 0.1 M gluconate solutions, if pC{sub H} is above 2.5, only the {delta}-lactone is generated. When pC{sub H} is decreased below 2.0, the formation of the {gamma}-lactone is observable although the {delta}-lactone predominates. At I = 0.1 M NaClO{sub 4} and room temperature, the deprotonation constant of the carboxylic group, using the NMR technique, was determined to be log K{sub a} = 3.30 {+-} 0.02; the {delta}-lactonization constant, by the batch potentiometric titrations, was obtained to be log K{sub L} = - (0.54 {+-} 0.04). Using ESI-MS, the rate constants of the {delta}-lactonization and the hydrolysis at pC{sub H} {approx} 5.0 were estimated to be k{sub 1} = 3.2 x 10{sup -5} s{sup -1} and k{sup -1} = 1.1 x 10{sup -4} s{sup -1}, respectively.

A 1D model of space-charge impedance, assuming atransversely uniform beam with circular cross-section, has been proposedand is being extensively used in the modelling of the microbunchinginstability of relevance for the beam delivery systems of x-ray FELs. Inthis paper we investigate the limitation of the model when applied tostudying the effect of shot noise--one of the sources of themicrobunching instability. We make comparison witha fully 3D calculationand identify the upper end of the frequency spectrum for applicability ofthe 1D model. Relaxation of the assumptions regarding axis-symmetry anduniformity of the transverse density is also reviewed.

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Summaries of the followings tasks are given in this report: Task 1 - Lightweight, Thermally Conductive Bipolar Plates for Improved Thermal Management in Fuel Cells; Task 2 - Exploration of pseudomorphic nanoscale overlayer bimetallic catalysts; Task 3 - Hybrid inorganic/organic polymer nanocomposites; Task 4 - Carbonaceous Monolithic Electrodes for Fuel Cells and Rechargeable Batteries; and Task 5 - Movement and Freeze of Water in Fuel Cell Electrodes.

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The geological storage of CO{sub 2} in deep saline formations is increasing seen as a viable strategy to reduce the release of greenhouse gases to the atmosphere. There are numerous sedimentary basins in China, in which a number of suitable CO{sub 2} geologic reservoirs are potentially available. To identify the multi-phase processes, geochemical changes and mineral alteration, and CO{sub 2} trapping mechanisms after CO{sub 2} injection, reactive geochemical transport simulations using a simple 2D model were performed. Mineralogical composition and water chemistry from a deep saline formation of Songliao Basin were used. Results indicate that different storage forms of CO{sub 2} vary with time. In the CO{sub 2} injection period, a large amount of CO{sub 2} remains as a free supercritical phase (gas trapping), and the amount dissolved in the formation water (solubility trapping) gradually increases. Later, gas trapping decreases, solubility trapping increases significantly due to migration and diffusion of the CO{sub 2} plume, and the amount trapped by carbonate minerals increases gradually with time. The residual CO{sub 2} gas keeps dissolving into groundwater and precipitating carbonate minerals. For the Songliao Basin sandstone, variations in the reaction rate and abundance of chlorite, and plagioclase composition affect significantly the estimates of …

We study B{sup 0} {yields} {rho}{sup 0}{rho}{sup 0} decays in a sample of 465 x 10{sup 6} {Upsilon}(4S) {yields} B{bar B} events collected with the BABAR detector at the PEP-II asymmetric-energy e{sup +}e{sup -} collider located at the Stanford Linear Accelerator Center (SLAC). We measure the branching fraction {Beta} = (0.92 {+-} 0.32 {+-} 0.14) x 10{sup -6} and longitudinal polarization fraction f{sub L} = 0.75{sub -0.14}{sup +0.11} {+-} 0.04, where the first uncertainty is statistical and the second is systematic. The evidence for the B{sup 0} {yields} {rho}{sup 0}{rho}{sup 0} signal has a significance of 3.1 standard deviations, including systematic uncertainties. We investigate the proper-time dependence of the longitudinal component in the decay and measure the CP-violating coefficients S{sub L}{sup 00} = (0.3 {+-} 0.7 {+-} 0.2) and C{sub L}{sup 00} = (0.2 {+-} 0.8 {+-} 0.3). They study the implication of these results for the unitarity triangle angle {alpha}.