A truncated determinant algorithm is used to study the physical effects of the quark eigenmodes associated with eigenvalues below 300 MeV. This initial study focuses on coarse lattices (with O(a{sup 2}) improved gauge action), light internal quark masses and large physical volumes. Four bellweather full QCD processes are discussed: topological charge distributions, the eta prime propagator, string breaking as observed in the static energy and the rho decay into two pions.

The response of a glass batch to heating is determined by the batch makeup and in turn determines the rate of melting. Batches formulated for a high-alumina nuclear waste to be vitrified in an all-electric melter were heated at a constant temperature-increase rate to determine changes in melting behavior in response to the selection of batch chemicals and silica grain-size as well as the addition of heat-generating reactants. The type of batch materials and the size of silica grains determine how much, if any, primary foam occurs during melting. Small quartz grains, 5 {micro}m in size, caused extensive foaming because their major portion dissolved at temperatures <800 C, contributing to the formation of viscous glass forming melt that trapped evolving batch gases. Primary foam did not occur in batches with larger quartz grains, {+-}75 {micro}m in size, because their major portion dissolved at temperatures >800 C when batch gases no longer evolved. The exothermal reaction of nitrates with sucrose was ignited at a temperature as low as 160 C and caused a temporary jump in temperature of several hundred degrees. Secondary foam, the source of which is oxygen from redox reactions, occurred in all batches of a limited composition variation …

Technetium-99 (Tc-99) has posed serious environmental threats as US Department of Energy's high-level waste. This work reports the vitrification of Re, as surrogate for Tc-99, by iron-borosilicate and iron-phosphate glasses, respectively. Iron-phosphate glasses can dissolve Re as high as {approx} 1.2 wt. %, which can become candidate waste forms for Tc-99 disposal, while borosilicate glasses can retain less than 0.1 wt. % of Re due to high melting temperature and long melting duration. Vitrification of Re as Tc-99's mimic was investigated using iron-borosilicate and iron-phosphate glasses. The retention of Re in borosilicate glasses was less than 0.1 wt. % and more than 99 wt. % of Re were volatilized due to high melting temperature and long melting duration. Because the retention of Re in iron-phosphate glasses is as high as 1.2 wt. % and the volatilization is reduced down to {approx}50 wt. %, iron-phosphate glasses can be one of the glass waste form candidates for Tc (or Re) disposal. The investigations of chemical durability and leaching test of iron-phosphate glasses containing Re are now underway to test the performance of the waste form.

Robust performance evaluation represents one of the most challenging aspects of groundwater pump-and-treat (P&T) remedy implementation. In most cases, the primary goal of the P&T system is hydraulic containment, and ultimately recovery, of contaminants to protect downgradient receptors. Estimating the extent of hydraulic containment is particularly challenging under changing flow patterns due to variable pumping, boundaries and/or other conditions. We present a systematic approach to estimate hydraulic containment using multiple lines of evidence based on (a) water-level mapping and (b) groundwater modeling. Capture Frequency Maps (CFMs) are developed by particle tracking on water-level maps developed for each available water level data set using universal kriging. In a similar manner, Capture Efficiency Maps (CEMs) are developed by particle tracking on water-levels calculated using a transient groundwater flow model: tracking is undertaken independently for each stress period using a very low effective porosity, depicting the 'instantaneous' fate of each particle each stress period. Although conceptually similar, the two methods differ in their underlying assumptions and their limitations: their use together identifies areas where containment may be reliable (i.e., where the methods are in agreement) and where containment is uncertain (typically, where the methods disagree). A field-scale example is presented to illustrate these …

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This is the first report of Fermi Gamma-ray Space Telescope observations of the quasar 3C 454.3, which has been undergoing pronounced long-term outbursts since 2000. The data from the Large Area Telescope (LAT), covering 2008 July 7-October 6, indicate strong, highly variable {gamma}-ray emission with an average flux of {approx} 3 x 10{sup -6} photons cm{sup -2} s{sup -1}, for energies > 100 MeV. The {gamma}-ray flux is variable, with strong, distinct, symmetrically-shaped flares for which the flux increases by a factor of several on a time scale of about three days. This variability indicates a compact emission region, and the requirement that the source is optically thin to pair-production implies relativistic beaming with Doppler factor {delta} > 8, consistent with the values inferred from VLBI observations of superluminal expansion ({delta} {approx} 25). The observed {gamma}-ray spectrum is not consistent with a simple power-law, but instead steepens strongly above {approx} 2 GeV, and is well described by a broken power-law with photon indices of {approx} 2.3 and {approx} 3.5 below and above the break, respectively. This is the first direct observation of a break in the spectrum of a high luminosity blazar above 100 MeV, and it is likely direct …

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We have grown and characterized LaCOB, a new member to the GdCOB family of nonlinear crystals. LaCOB has a d{sub eff} of 0.52 {plus_minus} 0.05 pm/V and an angular sensitivity of 1224 {plus_minus} 184 (cm-rad){sup -1} for type I frequency doubling at 1064 nm. The d{sub {alpha}{beta}{beta}} and d{sub {gamma}{beta}{beta}} coefficients of the nonlinear optical tensor for LaCOB, GdCOB, and YCOB were determined to have values of {vert_bar}0.26 {plus_minus} 0.04{vert_bar} pm/V and |1.69 {plus_minus} 0.17| pm/V, respectively. Results of phase-matching angle measurements at 1064 nm and 1047 nm predict LaCOB to be non-critically phase-matched (NCPM) at 1042 {plus_minus} 1.5 nm. We also estimate the thermal sensitivity of LaCOB to be less than 0.1 (cm- C){sup -1}.

We present the first data on e{sup +}e{sup -} pair production accompanied by nuclear breakup in ultra-peripheral gold-gold collisions at a center of mass energy of 200 GeV per nucleon pair. The nuclear breakup requirement selects events at small impact parameters, where higher-order corrections to the pair production cross section should be enhanced. We compare the pair kinematic distributions with two calculations: one based on the equivalent photon approximation, and the other using lowest-order quantum electrodynamics (QED); the latter includes the photon virtuality. The cross section, pair mass, rapidity and angular distributions are in good agreement with both calculations. The pair transverse momentum, p{sub T}, spectrum agrees with the QED calculation, but not with the equivalent photon approach. We set limits on higher-order contributions to the cross section. The e{sup +} and e{sup -} p{sub T} spectra are similar, with no evidence for interference effects due to higher-order diagrams.

Mid-rapidity open charm spectra from direct reconstruction of D{sup 0}({bar D}{sup 0}) {yields} K{sup {-+}} {pi}{sup {+-}} in d+Au collisions and indirect electron/positron measurements via charm semileptonic decays in p+p and d+Au collisions at {radical}s{sub NN} = 200 GeV are reported. The D{sup 0}({bar D}{sup 0}) spectrum covers a transverse momentum (p{sub T}) range of 0.1 < p{sub T} < 3 GeV/c whereas the electron spectra cover a range of 1 < p{sub T} < 4 GeV/c. The electron spectra show approximate binary collision scaling between p+p and d+Au collisions. From these two independent analyses, the differential cross section per nucleon-nucleon binary interaction at mid-rapidity for open charm production from d+Au collisions at RHIC is d{sigma}{sub c{bar c}}{sup NN}/dy = 0.30 {+-} 0.04 (stat.) {+-} 0.09(syst.) mb. The results are compared to theoretical calculations. Implications for charmonium results in A+A collisions are discussed.

We analyze the behavior of discontinuous finite-element methods (DFEMs) for problems that contain diffusive regions. We find that in slab geometry most of these methods perform quite well, but that the same is not true in XY or XYZ geometry. In these geometries, we find that there are two distinct sets of DFEMS. Methods in one set produce unphysical solutions in diffusive regions; the other leading-order solutions that satisfy discretizations of the correct diffusion equation. We show that two simple properties of the finite-element weight functions are sufficient to guarantee that a DFEM belongs to the latter set. We show, however, that even these DFEMs suffer from several defects: their leading-order solutions are in general discontinuous, they satisfy diffusion discretizations that can be ill-behaved, and they may not be accurate given boundary layers that are not resolved by the spatial mesh. We discuss the practical significance of these defects, and we show that liberal modification of some DFEMs can eliminate the defects. We present numerical results from simple test problems; these fully agree with our analysis. 15 refs., 6 figs., 1 tab.

We analyze the behavior of odd-parity continuous finite-element methods (CFEMs) for problems that contain diffusive regions. We find that each of these method produces a solution that, to leading order inside diffusive regions, satisfies a discretization of the diffusion equation. We find further that these leading-order solutions satisfy boundary conditions that can lead to large errors in the interior solution. We recognize, however, that we can combine an odd-purity CFEM solution and an even-parity CFEM solution and obtain a solution that satisfies very accurate boundary conditions. Our analysis holds in three-dimensional Cartesian geometry, with an arbitrary spatial grid. We give numerical results from slab-geometry; these invariably agree with the predictions of the analysis. Finally, we introduce a rapidly-convergent diffusion-synthetic acceleration scheme for the odd-parity CFEMs, which we believe is new. 18 refs., 3 figs.

Carbon-climate, like other environmental sciences, has been changing. Large-scalesynthesis studies are becoming more common. These synthesis studies are often conducted by science teams that are geographically distributed and on datasets that are global in scale. A broad array of collaboration and data analytics tools are now available that could support these science teams. However, building tools that scientists actually use is hard. Also, moving scientists from an informal collaboration structure to one mediated by technology often exposes inconsistencies in the understanding of the rules of engagement between collaborators. We have developed a scientific collaboration portal, called fluxdata.org, which serves the community of scientists providing and analyzing the global FLUXNET carbon-flux synthesis dataset. Key things we learned or re-learned during our portal development include: minimize the barrier to entry, provide features on a just-in-time basis, development of requirements is an on-going process, provide incentives to change leaders and leverage the opportunity they represent, automate as much as possible, and you can only learn how to make it better if people depend on it enough to give you feedback. In addition, we also learned that splitting the portal roles between scientists and computer scientists improved user adoption and trust. The fluxdata.org portal …

Mineralized tissues, such as bone and tooth dentin, serve as structural materials in the human body and, as such, have evolved to resist fracture. In assessing their quantitative fracture resistance or toughness, it is important to distinguish between intrinsic toughening mechanisms which function ahead of the crack tip, such as plasticity in metals, and extrinsic mechanisms which function primarily behind the tip, such as crack bridging in ceramics. Bone and dentin derive their resistance to fracture principally from extrinsic toughening mechanisms which have their origins in the hierarchical microstructure of these mineralized tissues. Experimentally, quantification of these toughening mechanisms requires a crack-growth resistance approach, which can be achieved by measuring the crack-driving force, e.g., the stress intensity, as a function of crack extension ("R-curve approach"). Here this methodology is used to study of the effect of aging on the fracture properties of human cortical bone and human dentin in order to discern the microstructural origins of toughness in these materials.

We report on the first simultaneous observations that cover the optical, X-ray, and high-energy gamma-ray bands of the BL Lac object PKS 2155-304. The gamma-ray bands were observed for 11 days, between 2008 August 25 and 2008 September 6 (MJD 54704-54715), jointly with the Fermi Gamma-ray Space Telescope and the HESS atmospheric Cherenkov array, providing the first simultaneous MeV-TeV spectral energy distribution (SED) with the new generation of {gamma}-ray telescopes. The ATOM telescope and the RXTE and Swift observatories provided optical and X-ray coverage of the low-energy component over the same time period. The object was close to the lowest archival X-ray and very high energy (VHE; >100 GeV) state, whereas the optical flux was much higher. The light curves show relatively little ({approx}30%) variability overall when compared to past flaring episodes, but we find a clear optical/VHE correlation and evidence for a correlation of the X-rays with the high-energy spectral index. Contrary to previous observations in the flaring state, we do not find any correlation between the X-ray and VHE components. Although synchrotron self-Compton models are often invoked to explain the SEDs of BL Lac objects, the most common versions of these models are at odds with the correlated …

Micro-reactor tests indicate that our partial oxidation catalyst is fuel-flexible and can reform conventional (gasoline and diesel) and alternative (ethanol, methanol, natural gas) fuels to hydrogen rich product gases with high hydrogen selectivity. Alcohols are reformed at lower temperatures (< 600 C) while alkanes and unsaturated hydrocarbons require slightly higher temperatures. Cyclic hydrocarbons and aromatics have also been reformed at relatively low temperatures, however, a different mechanism appears to be responsible for their reforming. Complex fuels like gasoline and diesel, which are mixtures of a broad range of hydrocarbons, require temperatures of > 700 C for maximum hydrogen production.

For widespread use of fuel cells to power automobiles in the near future, it is necessary to convert gasoline or other transportation fuels to hydrogen on-board the vehicle. Partial oxidation reforming is particularly suited to this application as it eliminates the need for heat exchange at high temperatures. Such reformers offer rapid start and good dynamic performance. Lowering the temperature of the partial oxidation process, which requires the development of a suitable catalyst, can increase the reforming efficiency. Catalytic partial oxidation (or autothermal) reformers and non-catalytic partial oxidation reformers developed by various organizations are presently undergoing testing and demonstration. This paper summarizes the process chemistries as well as recent test data from several different reformers operating on gasoline, methanol, and other fuels.

The Antarctic Muon and Neutrino Detector Array (AMANDA) began collecting data with ten strings in 1997. Results from the first year of operation are presented. Neutrinos coming through the Earth from the Northern Hemisphere are identified by secondary muons moving upward through the array. Cosmic rays in the atmosphere generate a background of downward moving muons, which are about 10{sup 6} times more abundant than the upward moving muons. Over 130 days of exposure, we observed a total of about 300 neutrino events. In the same period, a background of 1.05 x 10{sup 9} cosmic ray muon events was recorded. The observed neutrino flux is consistent with atmospheric neutrino predictions. Monte Carlo simulations indicate that 90 percent of these events lie in the energy range 66 GeV to 3.4 TeV. The observation of atmospheric neutrinos consistent with expectations establishes AMANDA-B10 as a working neutrino telescope.

The Vulcan laser facility at the Rutherford Appleton Laboratory was used to study the interaction of a 75 J 10 ps, high intensity laser beam with low-mass solid, Cu targets. Two instruments were fielded as diagnostics of the Cu K-shell emission from the targets: A single photon counting CCD spectrometer provided the absolute K{sub {alpha}} yield and a spherically bent Bragg crystal recorded 2D monochromatic images with a spatial resolution of 10 {micro}m. Due to the shifting and broadening of the K{sub {alpha}} spectral lines with increasing temperature, there is a temperature dependence of the crystal collection efficiency. This provides a temperature diagnostic when cross calibrated against a single hit CCD spectrometer, and it affects measurements of the spatial pattern of electron transport. The experimental data showing changing collection efficiency are presented. The results are discussed in light of modeling of the temperature-dependent spectrum of Cu K-shell emission.

A molecular dynamics (MD) study of the lithium ultraphosphate glass series, xLi{sub 2}O{center_dot}(1{minus}x)P{sub 2}O{sub 5} (0 {le} x < 0.5) was used to investigate the changes in the Li environment with increasing modifier concentration. The results from the MD simulations indicate that no major structural variations in the Li coordination environment are observed. Changes in the type of oxygen coordinated to the modifier are observed and correlate with the T{sub g} minimum. Additionally, changes in the number of shared phosphorus vertices are observed with increasing modifier concentration, in support of recent models involving the role of the modifier in the extended range structure of phosphate glasses. Empirical calculations of the {sup 6}Li NMR chemical shifts directly from the MD simulation structures is also reported and compared to recent experimental solid-state NMR results.

Simulations of ligated semiconductor quantum dots (QDs) and their physical properties, such as morphologies, QD-ligand interactions, electronic structures, and optical transitions, are expected to be very sensitive to computational methodology. We utilize Density Functional Theory (DFT) and systematically study how the choice of density functional, atom-localized basis set, and a solvent affects the physical properties of the Cd{sub 33}Se{sub 33} cluster ligated with a trimethyl phosphine oxide ligand. We have found that qualitative performance of all exchange-correlation (XC) functionals is relatively similar in predicting strong QD-ligand binding energy ({approx}1 eV). Additionally, all functionals predict shorter Cd-Se bond lengths on the QD surface than in its core, revealing the nature and degree of QD surface reconstruction. For proper modeling of geometries and QD-ligand interactions, however, augmentation of even a moderately sized basis set with polarization functions (e.g., LANL2DZ* and 6-31G*) is very important. A polar solvent has very significant implications for the ligand binding energy, decreasing it to 0.2-0.5 eV. However, the solvent model has a minor effect on the optoelectronic properties, resulting in persistent blue shifts up to {approx}0.3 eV of the low-energy optical transitions. For obtaining reasonable energy gaps and optical transition energies, hybrid XC functionals augmented by a …

Decontamination and dismantlement (D&D) tasks have been successfully completed on Plant 7 at the Fernald Environmental Management Project. The seven story facility was radiologically, chemically, and biologically contaminated. The work involved the D&D work beginning with safe shutdown and gross decontamination, and ended with removal of the structural steel. A series of lessons learned were gained which include use of explosives, bidding tactics, safe shutdown, building decontamination and lockdown, use of seam climbers, etc.