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.

A detailed chemical kinetic modeling approach is used to examine the phenomenon of suppression of sooting in diesel engines by addition of oxygenated hydrocarbon species to the fuel. This suppression, which has been observed experimentally for a few years, is explained kinetically as a reduction in concentrations of soot precursors present in the hot products of a fuel-rich diesel ignition zone when oxygenates are included. Oxygenates decrease the overall equivalence ratio of the igniting mixture, producing higher ignition temperatures and more radical species to consume more soot precursor species, leading to lower soot production. The kinetic model is also used to show how different oxygenates, ester structures in particular, can have different soot-suppression efficiencies due to differences in molecular structure of the oxygenated species.

We are continuing the development of the Hydroacoustic Blockage Assessment Tool (HABAT) which is designed for use by analysts to predict which hydroacoustic monitoring stations can be used in discrimination analysis for any particular event. The research involves two approaches (1) model-based assessment of blockage, and (2) ground-truth data-based assessment of blockage. The tool presents the analyst with a map of the world, and plots raypath blockages from stations to sources. The analyst inputs source locations and blockage criteria, and the tool returns a list of blockage status from all source locations to all hydroacoustic stations. We are currently using the tool in an assessment of blockage criteria for simple direct-path arrivals. Hydroacoustic data, predominantly from earthquake sources, are read in and assessed for blockage at all available stations. Several measures are taken. First, can the event be observed at a station above background noise? Second, can we establish backazimuth from the station to the source. Third, how large is the decibel drop at one station relative to other stations. These observational results are then compared with model estimates to identify the best set of blockage criteria and used to create a set of blockage maps for each station. The …

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To assess the relationship of weekly walking distance to percentiles of adiposity in elders (age {ge} 75 years), seniors (55 {le} age <75 years), middle-age men (35 {le} age <55 years), and younger men (18 {le} age <35 years old). Cross-sectional analyses of baseline questionnaires from 7,082 male participants of the National Walkers Health Study. The walkers BMIs were inversely and significantly associated with walking distance (kg/m{sup 2} per km/wk) in elders (slope {+-} SE: -0.032 {+-} 0.008), seniors (-0.045 {+-} 0.005), and middle-aged men (-0.037 {+-} 0.007), as were their waist circumferences (-0.091 {+-} 0.025, -0.045 {+-} 0.005, and -0.091 {+-} 0.015 cm per km/wk, respectively), and these slopes remained significant when adjusted statistically for reported weekly servings of meat, fish, fruit, and alcohol. The declines in BMI associated with walking distance were greater at the higher than lower percentiles of the BMI distribution. Specifically, compared to the decline at the 10th BMI percentile, the decline in BMI at the 90th percentile was 5.1-fold greater in elders, 5.9-fold greater in seniors, and 6.7-fold greater in middle-age men. The declines in waist circumference associated with walking distance were also greater among men with broader waistlines. Exercise-induced weight loss (or self-selection) …

We report on the evaluation of the performance of two recently developed scintillator materials, LaCl{sub 3}:Ce and LaBr{sub 3}:Ce, at the task of gamma ray spectroscopy. Their performance is compared to a standard scintillator used for gamma ray spectroscopy--a 25 mm diameter 25 mm tall cylinder of NaI:Tl. We measure the pulse height, energy resolution, and full-energy efficiency of production LaBr{sub 3}:Ce and LaCl{sub 3}:Ce scintillation crystals of different sizes and geometries for a variety of gamma-ray energies. Using production rather than specially selected crystals will establish whether immediate large-scale use is feasible. The crystal is excited by gamma rays from one of six isotopic sources ({sup 125}I, {sup 241}Am, {sup 57}Co, {sup 22}Na, {sup 137}Cs, and {sup 60}Co) placed 15 cm away from the scintillator. Our measurements show that both LaCl{sub 3} and LaBr{sub 3} outperform NaI:Tl in almost all cases. They outperform NaI:Tl at all energies for the photopeak fraction and counting rate measurements, and for energy resolution at higher energies (above 200 keV for LaCl{sub 3} and 75 keV for LaBr{sub 3}). The performance of production crystals is excellent and these scintillators should be considered for immediate use in systems where stopping power and energy resolution are …

A short model of asymmetric force free magnet with single beam aperture was tested at Fermilab together with the excitation test of VLHC transmission line magnet. The design concept of asymmetric force free superconducting magnet was verified by the test. The testing reached up to 104 kA current and no indication of force imbalance was observed. Since the model magnet length was only 10cm, A 0.75m model was constructed and tested at KEK with low current to ensure the validity of the design. The cool down and the excitation at KEK were also successful finding very small thermal contraction of the conductor and reasonable field homogeneity.

In this contribution the authors discuss the physics of strange hadrons in low energy ({approx_equal} 1-2 AGeV) heavy ion collision. In this energy range the relevant strange particle are the kaons and anti-kaons. The most interesting aspect concerning these particles are so called in-medium modifications. They will attempt to review the current status of understanding of these in medium modifications. In addition they briefly discuss other issues related with kaon production, such as the nuclear equation of state and chemical equilibrium.

Not all industrial facilities have the staff or theopportunity to perform a detailed audit of their operations. The lack ofknowledge of energy efficiency opportunities provides an importantbarrier to improving efficiency. Benchmarking programs in the U.S. andabroad have shown to improve knowledge of the energy performance ofindustrial facilities and buildings and to fuel energy managementpractices. Benchmarking provides a fair way to compare the energyintensity of plants, while accounting for structural differences (e.g.,the mix of products produced, climate conditions) between differentfacilities. In California, the winemaking industry is not only one of theeconomic pillars of the economy; it is also a large energy consumer, witha considerable potential for energy-efficiency improvement. LawrenceBerkeley National Laboratory and Fetzer Vineyards developed the firstbenchmarking tool for the California wine industry called "BEST(Benchmarking and Energy and water Savings Tool) Winery". BEST Wineryenables a winery to compare its energy efficiency to a best practicereference winery. Besides overall performance, the tool enables the userto evaluate the impact of implementing efficiency measures. The toolfacilitates strategic planning of efficiency measures, based on theestimated impact of the measures, their costs and savings. The tool willraise awareness of current energy intensities and offer an efficient wayto evaluate the impact of future efficiency measures.

The pulse radiolysis of N2O saturated aqueous solutions of KSCN was studied under neutral pH conditions. The observed optical absorption spectrum of the SCN• radical in solution is more complex than previously reported, but it is in good agreement with that measured in the gas phase. Kinetic traces at 330 nm and 472 nm corresponding to SCN• and (SCN)2•¯, respectively, were fit using a Monte Carlo simulation kinetic model. The rate coefficient for the oxidation of SCN¯ ions by OH radicals, an important reaction used in competition kinetics measurements, was found to be 1.4 ± 0.1 x 1010 M-1 s-1, about 30 % higher than the normally accepted value. A detailed discussion of the reaction mechanism is presented.

A new type of global shear Alfvén Eigenmode is found in tokamak plasmas where the mode localization is in the region intersecting the Alfvén continuum. The eigenmode is formed by the coupling of two solutions from two adjacent gaps (akin to potential wells) in the shear Alfvén continuum. For tokamak plasmas with reversed magnetic shear it is shown that the toroidiciy-induced solution tunnels through the continuum to match the ellipticity-induced Alfvén eigenmode (TAE and EAE, respectively) so that the resulting solution is continuous at the point of resonance with the continuum. The existence of these Double Gap Alfvén Eigenmodes (DGAEs) allows for potentially new ways of coupling edge fields to the plasma core in conditions where the core region is conventionally considered inaccessible. Implications include new approaches to heating and current drive in fusion plasmas as well as its possible use as core diagnostic in burning plasmas.

We have searched for strangelets in a triggered sample of 61 million central (top 4percent) Au+Au collisions at sqrt sNN = 200 GeV near beam rapidities at the STAR solenoidal tracker detector at the BNL Relativistic Heavy Ion Collider. We have sensitivity to metastable strangelets with lifetimes of order>_0.1 ns, in contrast to limits over ten times longer in BNL Alternating Gradient Synchrotron (AGS) studies and longer still at the CERN Super Proton Synchrotron (SPS). Upper limits of a few 10-6 to 10-7 per central Au+Au collision are set for strangelets with mass>~;;30 GeV/c2.

Leaching studies of coal utilization byproducts (CUB) are often performed to determine the compatibility of the material in a particular end-use or disposal environment. Typically, these studies are conducted using either a batch or a fixed-bed column technique. Fixed-bed columns offer the advantage of a continuous flow of effluent that provides elution profiles with changing elution volume and pH. Unfortunately, clogs can form in fixed-bed leaching columns, either because of cementitious properties of the material itself, such as is seen for fluidized bed combustion (FBC) fly ash, or because of precipitate formation, such as can occur when a high-calcium ash is subjected to sulfate-containing leachates. Also, very fine-grained materials, such as gypsum, do not provide sufficient permeability for study in a fixed-bed column. A continuous, stirred-tank extractor (CSTX) is being used as an alternative technique that can provide the elution profile of column leaching but without the low permeability problems. The CSTX has been successfully employed in the leaching of flue gas desulfurization products that would not be sufficiently permeable under traditional column leaching conditions. The results indicate that the leaching behavior depends on a number of factors, including (but not limited to) solubility and neutralization capacity of the mineral …

For astrophysical applications, as well as modeling laser-produced plasmas, there is a continual need for equation-of-state data over a wide domain of physical conditions. This paper presents algorithmic aspects for computing the Helmholtz free energy of plasma electrons for temperatures spanning from a few Kelvin to several KeV, and densities ranging from essentially isolated ion conditions to such large compressions that most bound orbitals become delocalized. The objective is high precision results in order to compute pressure and other thermodynamic quantities by numerical differentiation. This approach has the advantage that internal thermodynamic self-consistency is ensured, regardless of the specific physical model, but at the cost of very stringent numerical tolerances for each operation. The computational aspects we address in this paper are faced by any model that relies on input from the quantum mechanical spectrum of a spherically symmetric Hamiltonian operator. The particular physical model we employ is that of INFERNO; of a spherically averaged ion embedded in jellium. An overview of PURGATORIO, a new implementation of the INFERNO equation of state model, is presented. The new algorithm emphasizes a novel decimation scheme for automatically resolving the structure of the continuum density of states, circumventing limitations of the pseudo-R matrix …

Ion-optics calculations were performed for a new ion source and injection beam line. This source, which can accept both solid and gaseous targets, will be installed onto the 1-MV BioAMS spectrometer at the Center for Accelerator Mass Spectrometry, located at Lawrence Livermore National Laboratory and will augment the current LLNL cesium-sputter solid sample ion source. The ion source and its associated injection beam line were designed to allow direct quantification of {sup 14}C/{sup 12}C and {sup 3}H/{sup 1}H isotope ratios from both solid and gaseous targets without the need for isotope switching. Once installed, this source will enable the direct linking of a nanoflow LC system to the spectrometer to provide for high-throughput LC-AMS quantitation from a continuous flow. Calculations show that, for small samples, the sensitivity of the gas-accepting ion source could be precision limited but zeptomole quantitation should be feasible.

Coupled modelling of fluid flow and reactive transport ingeothermal systems is challenging because of reservoir conditions such ashigh temperatures, elevated pressures and sometimes high salinities ofthe formation fluids. Thermal hydrological-chemical (THC) codes, such asFRACHEM and TOUGHREACT, have been developed to evaluate the long-termhydrothermal and chemical evolution of exploited reservoirs. In thisstudy, the two codes were applied to model the same geothermal reservoir,to forecast reservoir evolution using respective thermodynamic andkinetic input data. A recent (unreleased) TOUGHREACT version allows theuse of either an extended Debye-Hu?ckel or Pitzer activity model forcalculating activity coefficients, while FRACHEM was designed to use thePitzer formalism. Comparison of models results indicate that differencesin thermodynamic equilibrium constants, activity coefficients andkinetics models can result in significant differences in predictedmineral precipitation behaviour and reservoir-porosity evolution.Differences in the calculation schemes typically produce less differencein model outputs than differences in input thermodynamic and kineticdata, with model results being particularly sensitive to differences inion-interaction parameters for highsalinity systems.

We investigate the potential for CO2 monitoring in thenear-surface environment as an approach to exploration for hiddengeothermal systems. Numerical simulations of CO2 migration from a modelhidden geothermal system show that CO2 concentrations can reach highlevels in the shallow subsurface even for relatively low CO2 fluxes.Therefore, subsurface measurements offer an advantage over above-groundmeasurements which are affected by winds that rapidly disperse CO2. Tomeet the challenge of detecting geothermal CO2 emissions within thenatural background variability of CO2, we propose an approach thatintegrates available detection and monitoring techniques with statisticalanalysis and modeling.

The initial multi-mode interfacial velocity and density perturbations present at the onset of a small Atwood number, incompressible, miscible, Rayleigh-Taylor instability-driven mixing layer have been quantified using a combination of experimental techniques. The streamwise interfacial and spanwise interfacial perturbations were measured using high-resolution thermocouples and planar laser-induced fluorescence (PLIF), respectively. The initial multi-mode streamwise velocity perturbations at the two-fluid density interface were measured using particle-image velocimetry (PIV). It was found that the measured initial conditions describe an initially anisotropic state, in which the perturbations in the streamwise and spanwise directions are independent of one another. The evolution of various fluctuating velocity and density statistics, together with velocity and density variance spectra, were measured using PIV and high-resolution thermocouple data. The evolution of the velocity and density statistics is used to investigate the early-time evolution and the onset of strongly-nonlinear, transitional dynamics within the mixing layer. The early-time evolution of the density and vertical velocity variance spectra indicate that velocity fluctuations are the dominant mechanism driving the instability development. The implications of the present experimental measurements on the initialization of Reynolds-averaged turbulent transport and mixing models and of direct and large-eddy simulations of Rayleigh-Taylor instability-induced turbulence are discussed.

Regardless of the form of restructuring, deregulatedelectricity industries share one common feature: the absence of anysignificant, rapid demand-side response to the wholesale (or, spotmarket) price. For a variety of reasons, most electricity consumers stillpay an average cost based regulated retail tariff held over from the eraof vertical integration, even as the retailers themselves are oftenforced to purchase electricity at volatile wholesale prices set in openmarkets. This results in considerable price risk for retailers, who aresometimes additionally forbidden by regulators from signing hedgingcontracts. More importantly, because end-users do not perceive real-time(or even hourly or daily) fluctuations in the wholesale price ofelectricity, they have no incentive to adjust their consumptionaccordingly. Consequently, demand for electricity is highly inelastic,which together with the non storability of electricity that requiresmarket clearing over very short time steps spawn many other problemsassociated with electricity markets, such as exercise of market power andprice volatility. Indeed, electricity generation resources can bestretched to the point where system adequacy is threatened. Economictheory suggests that even modest price responsiveness can relieve thestress on generation resources and decrease spot prices. To quantify thiseffect, actual generator bid data from the New York control area is usedto construct supply stacks and intersect them with demand curves …

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Reduction of the uranium metallocene,[eta5-1,2,4-(Me3C)3C5H2]2UCl2 (1), Cp'2UCl2, in the presence of2,2'-bipyridyl and sodium naphthalene gives the dark green metallocenecomplex, Cp'2U(bipy) (6), which reacts with p-tolylazide orpyridine-N-oxide to give Cp'2U=N(p-tolyl) (7) or Cp'2U(O)(py) (8),respectively. The Lewis acid, BPh3, precipitates Ph3B(py) and gives thebase-free oxo, Cp'2UO (10), which crystallizes from pentane. Theoxometallocene 10 behaves as a nucleophile with Me3SiX reagents but itdoes not exhibit cycloaddition behavior with acetylenes, suggesting thatthe polar resonance structure, Cp'2U+-O- dominates the double bondresonance structure Cp'2U=O.

An initial investigation into the potential environmental impacts of CO2 sequestration in unmineable coal seams has been conducted, focusing on changes in the produced water during enhanced coalbed methane (ECBM) production using a CO2 injection process (CO2-ECBM). Two coals have been used in this study, the medium volatile bituminous Upper Freeport coal (APCS 1) of the Argonne Premium Coal Samples series, and an as-mined Pittsburgh #8 coal, which is a high volatile bituminous coal. Coal samples were reacted with either synthetic produced water or field collected produced water and gaseous carbon dioxide at 40 οC and 50 bar to evaluate the potential for mobilizing toxic metals during CO2-ECBM/sequestration. Microscopic and x-ray diffraction analysis of the post-reaction coal samples clearly show evidence of chemical reaction, and chemical analysis of the produced water shows substantial changes in composition. These results suggest that changes to the produced water chemistry and the potential for mobilizing toxic trace elements from coalbeds are important factors to be considered when evaluating deep, unmineable coal seams for CO2 sequestration.

Testing forms a critical part of the development process for large-scale software, and there is growing need for automated tools that can read, represent, analyze, and transform the application's source code to help carry out testing tasks. However, the support required to compile applications written in common general purpose languages is generally inaccessible to the testing research community. In this paper, we report on an extensible, open-source compiler infrastructure called ROSE, which is currently in development at Lawrence Livermore National Laboratory. ROSE specifically targets developers who wish to build source-based tools that implement customized analyses and optimizations for large-scale C, C++, and Fortran90 scientific computing applications (on the order of a million lines of code or more). However, much of this infrastructure can also be used to address problems in testing, and ROSE is by design broadly accessible to those without a formal compiler background. This paper details the interactions between testing of applications and the ways in which compiler technology can aid in the understanding of those applications. We emphasize the particular aspects of ROSE, such as support for the general analysis of whole programs, that are particularly well-suited to the testing research community and the scale of the …

The photodissociation dynamics of small I{sup -}(H{sub 2}O){sub n} (n = 2-5) clusters excited to their charge-transfer-to-solvent (CTTS) states have been studied using photofragment coincidence imaging. Upon excitation to the CTTS state, two photodissociation channels were observed. The major channel ({approx}90%) is a 2-body process forming neutral I + (H{sub 2}O){sub n} photofragments, and the minor channel is a 3-body process forming I + (H{sub 2}O){sub n-1} + H{sub 2}O fragments. Both process display translational energy (P(E{sub T})) distributions peaking at E{sub T} = 0 with little available energy partitioned into translation. Clusters excited to the detachment continuum rather than to the CTTS state display the same two channels with similar P(E{sub T}) distributions. The observation of similar P(E{sub T}) distributions from the two sets of experiments suggests that in the CTTS experiments, I atom loss occurs after autodetachment of the excited (I(H{sub 2}O){sub n}{sup -})* cluster, or, less probably, that the presence of the excess electron has little effect on the departing I atom.