We have systematically studied the thermodynamic stabilities of various phases of the nitrides of the platinum metal elements using density functional theory. We show that for the nitrides of Rh, Pd, Ir and Pt two new crystal structures, in which the metal ions occupy simple tetragonal lattice sites, have lower formation enthalpies at ambient conditions than any previously proposed structures. The region of stability can extend up to 17 GPa for PtN{sub 2}. Furthermore, we show that according to calculations using the local density approximation, these new compounds are also thermodynamically stable at ambient pressure and thus may be the ground state phases for these materials. We further discuss the fact that the local density and generalized gradient approximations predict different values of the absolute formation enthalpies as well different relative stabilities between simple tetragonal and the pyrite or marcasite structures.

In July of 2002, a Cooperative Research and Development Agreement (CRADA) was undertaken between Oak Ridge National Laboratory (ORNL) and Caterpillar, Inc. (Caterpillar Technical Center) to develop and commercialize new cast stainless steels invented and initially tested on a prior CRADA. This CRADA is a direct follow-on project to CRADA ORNL-99-0533 for diesel engine exhaust component and gas turbine engine structural component applications. The goal of this new CRADA was to develop and commercialize the newly discovered cast stainless steels (primarily CF8C-Plus) with improved performance and reliability, as lower-cost upgrade alternatives to more costly cast Ni-based superalloys.

Simulations of the Defense Waste Processing Facility (DWPF) Chemical Processing Cell (CPC) vessels were performed as part of the ongoing investigation into catalytic hydrogen generation. Rhodium, ruthenium, and mercury have been identified as the principal elemental factors affecting the peak hydrogen generation rate in the DWPF Sludge Receipt and Adjustment Tank (SRAT) for a given acid addition. The primary goal of this study is to identify any significant interactions between the three factors. Noble metal concentrations were similar to recent sludge batches. Rh ranged from 0.0026-0.013% and Ru ranged from 0.010-0.050% in the dried sludge solids, while initial Hg ranged from 0.5-2.5 wt%. An experimental matrix was developed to ensure that the existence of statistically significant two-way interactions could be determined without confounding of the main effects with the two-way interaction effects. The nominal matrix design consisted of twelve SRAT cycles. Testing included: a three factor (Rh, Ru, and Hg) study at two levels per factor (eight runs), two duplicate midpoint runs, and two additional replicate runs to assess reproducibility away from the midpoint. Midpoint testing can identify potential quadratic effects from the three factors. A single sludge simulant was used for all tests. Acid addition was kept effectively constant …

Evaluating spatial and temporal trends in contaminant residues in Puget Sound fish and macroinvertebrates are the objectives of the Puget Sound Ambient Monitoring Program (PSAMP). In a cooperative effort between the ENVironmental inVESTment group (ENVVEST) and Washington State Department of Fish and Wildlife, additional biota samples were collected during the 2007 PSAMP biota survey and analyzed for chemical residues and stable isotopes of carbon (δ13C) and nitrogen (δ15N). Approximately three specimens of each species collected from Sinclair Inlet, Georgia Basin, and reference locations in Puget Sound were selected for whole body chemical analysis. The muscle tissue of specimens selected for chemical analyses were also analyzed for δ13C and δ15N to provide information on relative trophic level and food sources. This data report summarizes the chemical residues for the 2007 PSAMP fish and macro-invertebrate samples. In addition, six Spiny Dogfish (Squalus acanthias) samples were necropsied to evaluate chemical residue of various parts of the fish (digestive tract, liver, embryo, muscle tissue), as well as, a weight proportional whole body composite (WBWC). Whole organisms were homogenized and analyzed for silver, arsenic, cadmium, chromium, copper, nickel, lead, zinc, mercury, 19 polychlorinated biphenyl (PCB) congeners, PCB homologues, percent moisture, percent lipids, δ13C, and δ15N.

The objective of this report was to create a low-cost, modest-power RF coupler for a SRF spoke cavity beam test of electrons test to be done at LANL. Developing the design for this magnetically-coupled SRF spoke cavity testing coupler was basically straightforward since the cavity coupling port needed to be one of the 1.22-inch ID ports, and the power level was limited by the available RF to less than 400 W TW power. In addition, the coupler would be immersed in bath cryostat filled with liquid helium, and ultimately used in a pulsed mode to accelerate beam, thereby significantly relaxing the thermal loads on the coupler. Combining the above considerations with the level of resources available for this task, emphasis was placed on rapidly developing a robust, reliable design that would use commercially-available components as available to save design, engineering, and fabrication costs. Analysis was also kept to a minimum. As such, the design incorporates the following features: (1) Use of a commercially-available Type-N ceramic feedthrough. For the power and frequency range of the test, with the feedthrough immersed in LHe, it was felt the Type-N feedthrough would provide a robust, low-cost vacuum window solution. (2) The coupler outer conductors …

A typical optical fabrication process involves a series of basic process steps including: (1) shaping, (2) grinding, (3) polishing, and sometimes (4) sub-aperture tool finishing. With significant innovation and development over the years in both the front end (shaping using CNC machines) and the back end (sup-aperture tool polishing), these processes have become much more deterministic. However, the intermediate stages (full aperture grinding/polishing) in the process, which can be very time consuming, still have much reliance on the optician's insight to get to the desired surface figure. Such processes are not presently very deterministic (i.e. require multiple iterations to get desired figure). The ability to deterministically finish an optical surface using a full aperture grinding/polishing will aid optical glass fabricators to achieve desired figure in a more repeatable, less iterative, and more economical manner. Developing a scientific understanding of the material removal rate is a critical step in accomplishing this. In the present study, the surface figure and material removal rate of a fused silica workpiece is measured as a function of polishing time using Ceria based slurry on a polyurethane pad or pitch lap under a variety of kinematic conditions (motion of the workpiece and lap) and loading configurations. …

In this lecture we presented a methodology to obtain free energies from empirical potentials and applied it to the study of the phase diagram of FeCr. Subsequently, we used Metropolis Monte Carlo to analyze homogeneous and heterogeneous precipitation of the Cr rich solid solution {alpha}{prime}. These examples are part of our work in the area of steels for nuclear applications and can be found in several publications of our group cited as References.

A micromechanical model is developed for grain bridging inmonolithic ceramics. Specifically, bridge formation of a single,non-equiaxed grain spanning adjacent grains is addressed. A cohesive zoneframework enables crack initiation and propagation along grainboundaries. The evolution of the bridge is investigated through avariance in both grain angle and aspect ratio. We propose that thebridging process can be partitioned into five distinct regimes ofresistance: propagate, kink, arrest, stall, and bridge. Although crackpropagation and kinking are well understood, crack arrest and subsequent"stall" have been largely overlooked. Resistance during the stall regimeexposes large volumes of microstructure to stresses well in excess of thegrain boundary strength. Bridging can occur through continued propagationor reinitiation ahead of the stalled crack tip. The driving forcerequired to reinitiate is substantially greater than the driving forcerequired to kink. In addition, the critical driving force to reinitiateis sensitive to grain aspect ratio but relatively insensitive to grainangle. The marked increase in crack resistance occurs prior to bridgeformation and provides an interpretation for the rapidly risingresistance curves which govern the strength of many brittle materials atrealistically small flaw sizes.

We will provide a review of some of the physics which can be addressed by studying fluctuations and correlations in heavy ion collisions. We will discuss Lattice QCD results on fluctuations and correlations and will put them into context with observables which have been measured in heavy-ion collisions. Special attention will be given to the QCD critical point and the first order co-existence region, and we will discuss how the measurement of fluctuations and correlations can help in an experimental search for non-trivial structures in the QCD phase diagram.

If the collisional time scale for Coulomb collisions is comparable to the characteristic time scales for a plasma, then simulation of Coulomb collisions may be important for computation of kinetic plasma dynamics. This can be a computational bottleneck because of the large number of simulated particles and collisions (or phase-space resolution requirements in continuum algorithms), as well as the wide range of collision rates over the velocity distribution function. This paper considers Monte Carlo simulation of Coulomb collisions using the binary collision models of Takizuka & Abe and Nanbu. It presents a hybrid method for accelerating the computation of Coulomb collisions. The hybrid method represents the velocity distribution function as a combination of a thermal component (a Maxwellian distribution) and a kinetic component (a set of discrete particles). Collisions between particles from the thermal component preserve the Maxwellian; collisions between particles from the kinetic component are performed using the method of or Nanbu. Collisions between the kinetic and thermal components are performed by sampling a particle from the thermal component and selecting a particle from the kinetic component. Particles are also transferred between the two components according to thermalization and dethermalization probabilities, which are functions of phase space.

Major improvements in models of chemically peculiar stars have been achieved in the past few years. With these new models it has been possible to test quantitatively some of the processes involved in the formation of abundance anomalies and their effect on stellar structure. The models of metallic A (Am) stars have shown that a much deeper mixing has to be present to account for observed abundance anomalies. This has implications on their variability, which these models also reproduce qualitatively. These models also have implications for other chemically inhomogeneous stars such as HgMn B stars which are not known to be variable and {lambda} Booetis stars which can be. The study of the variability of chemically inhomogeneous stars can provide unique information on the dynamic processes occurring in many types of stars in addition to modeling of the evolution of their surface composition.

The present state of the theory of fluctuations in gyrokinetic GK plasmas and especially its application to sampling noise in GK particle-in-cell PIC simulations is reviewed. Topics addressed include the Δf method, the fluctuation-dissipation theorem for both classical and GK many-body plasmas, the Klimontovich formalism, sampling noise in PIC simulations, statistical closure for partial differential equations, the theoretical foundations of spectral balance in the presence of arbitrary noise sources, and the derivation of Kadomtsev-type equations from the general formalism.

The joint U.S-Canadian project has been devoted to: (a) decadal climate studies using developed state-of-the-art GCMs (General Circulation Models) with enhanced variable and uniform resolution; (b) development and implementation of advanced numerical techniques; (c) research in parallel computing and associated numerical methods; (d) atmospheric chemistry experiments related to climate issues; (e) validation of regional climate modeling strategies for nested- and stretched-grid models. The variable-resolution stretched-grid (SG) GCMs produce accurate and cost-efficient regional climate simulations with mesoscale resolution. The advantage of the stretched grid approach is that it allows us to preserve the high quality of both global and regional circulations while providing consistent interactions between global and regional scales and phenomena. The major accomplishment for the project has been the successful international SGMIP-1 and SGMIP-2 (Stretched-Grid Model Intercomparison Project, phase-1 and phase-2) based on this research developments and activities. The SGMIP provides unique high-resolution regional and global multi-model ensembles beneficial for regional climate modeling and broader modeling community. The U.S SGMIP simulations have been produced using SciDAC ORNL supercomputers. The results of the successful SGMIP multi-model ensemble simulations of the U.S. climate are available at the SGMIP web site (http://essic.umd.edu/~foxrab/sgmip.html) and through the link to the WMO/WCRP/WGNE web site: http://collaboration.cmc.ec.gc.ca/science/wgne. …

A Lower Hybrid Current Drive (LHCD) system has been installed on the Alcator C-MOD tokamak at MIT. Twelve klystrons at 4.6 GHz feed a 4x22 waveguide array. This system was designed for maximum flexibility in the launched parallel wave-number spectrum. This flexibility allows tailoring of the lower hybrid deposition under a variety of plasma conditions. Power levels up to 900 kW have been injected into the tokomak. The parallel wave number has been varied over a wide range, n|| ~ 1.6–4. Driven currents have been inferred from magnetic measurements by extrapolating to zero loop voltage and by direct comparison to Fisch-Karney theory, yielding an efficiency of n20IR/P ~ 0.3. Modeling using the CQL3D code supports these efficiencies. Sawtooth oscillations vanish, accompanied with peaking of the electron temperature (Te0 rises from 2.8 to 3.8 keV). Central q is inferred to rise above unity from the collapse of the sawtooth inversion radius, indicating off-axis cd as expected. Measurements of non-thermal x-ray and electron cyclotron emission confirm the presence of a significant fast electron population that varies with phase and plasma density. The x-ray emission is observed to be radialy broader than that predicted by simple ray tracing codes. Possible explanations for this …

Diagnosis and management of dust inventories generated in next-step magnetic fusion devices is necessary for their safe operation. A novel electrostatic dust detector, based on a fine grid of interlocking circuit traces biased to 30 or 50 ν has been developed for the detection of dust particles on remote surfaces in air and vacuum environments. Impinging dust particles create a temporary short circuit and the resulting current pulse is recorded by counting electronics. Up to 90% of the particles are ejected from the grid or vaporized suggesting the device may be useful for controlling dust inventories. We report measurements of the sensitivity of a large area (5x5 cm) detector to microgram quantities of dust particles and review its applications to contemporary tokamaks and ITER.

Calculations performed as part of this study indicate that injection of treated groundwater containing treated regenerant solution has a high potential for precipitate formation that could lead to plugging of formation porosity surrounding the injection well. In the worst case scenario, substantial plugging could occur within a year of the initiation of injection. Some uncertainty is associated with respect to this conclusion. The uncertainty results from the fact that equilibrium with the most stable mineral assemblage cannot always be assumed and that slow precipitation rates could occur and reliable estimates of precipitation kinetics under Hanford aquifer conditions are not available. It is recommended that the potential of calcium phosphate precipitation be investigated further using a combination of laboratory and field investigations.

We present the design and experimental progress on the diamond secondary emitter as an electron source for high average power injectors. The design criteria for average currents up to 1 A and charge up to 20 nC are established. Secondary Electron Yield (SEY) exceeding 200 in transmission mode and 50 in emission mode have been measured. Preliminary results on the design and fabrication of the self contained capsule with primary electron source and secondary electron emitter will also be presented.

Alloy 22 (N06022) is highly resistant to localized corrosion. Alloy 22 may be susceptible to crevice corrosion in pure chloride (Cl{sup -}) solutions under aggressive environmental conditions. The effect of the fluoride (F{sup -}) over the crevice corrosion induced by chloride ions is still not well established. The objective of the present work was to explore the crevice corrosion resistance of this alloy to different mixtures of fluorides and chlorides. Cyclic potentiodynamic polarization (CPP) tests were conducted in deaerated aqueous solutions of pure halide ions and also in different mixtures of chloride and fluoride at 90 C and pH 6. The range of chloride concentration [Cl{sup -}] was 0.001 M {le} [Cl{sup -}] {le} 1 M and the range of molar fluoride to chloride ratio [F{sup -}]/[Cl{sup -}] was 0.1 {le} [F{sup -}]/[Cl{sup -}] {le} 10. Results showed that Alloy 22 was susceptible to crevice corrosion in all the pure chloride solutions but not in the pure fluoride solutions. Fluoride ions showed an inhibitor behavior only in mixtures with a molar ratio [F{sup -}]/[Cl{sup -}] > 2. For mixtures with a molar ratio [F{sup -}]/[Cl{sup -}] of 7 and 10 the inhibition of crevice corrosion was complete.

We present the results of our investigation of lead and niobium as suitable photocathode materials for superconducting RF injectors. Quantum efficiencies (QE) have been measured for a range of incident photon energies and a variety of cathode preparation methods, including various lead plating techniques on a niobium substrate. The effects of operating at ambient and cryogenic temperatures and different vacuum levels on the cathode QE have also been studied.

Age is one of the most important risk factors for human malignancies, including breast cancer; in addition, age-at-diagnosis has been shown to be an independent indicator of breast cancer prognosis. However, except for inherited forms of breast cancer, there is little genetic or epigenetic understanding of the biological basis linking aging with sporadic breast cancer incidence and its clinical behavior.

This paper shows that the energy requirements for today's typical efficient window products (i.e. ENERGY STAR{trademark} products) are significant when compared to the needs of Zero Energy Homes (ZEHs). Through the use of whole house energy modeling, typical efficient products are evaluated in five US climates and compared against the requirements for ZEHs. Products which meet these needs are defined as a function of climate. In heating dominated climates, windows with U-factors of 0.10 Btu/hr-ft{sup 2}-F (0.57 W/m{sup 2}-K) will become energy neutral. In mixed heating/cooling climates a low U-factor is not as significant as the ability to modulate from high SHGCs (heating season) to low SHGCs (cooling season).

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A search for charmonium and other new states is performed in a study of exclusive initial-state-radiation production of D{bar D} events from electron-positron annihilations at a center-of-mass energy of 10.58 GeV. The data sample corresponds to an integrated luminosity of 384 fb{sup -1} and was recorded by the BABAR experiment at the PEP-II storage ring. The D{bar D} mass spectrum shows clear evidence of the {psi}(3770) plus other structures near 3.9, 4.1, and 4.4 GeV/c2. No evidence for Y (4260) {yields} D{bar D} is observed, leading to an upper limit of {Beta}(Y (4260) {yields} D{bar D})/{Beta}(Y (4260) {yields} J/{psi}{pi}{sup +}{pi}{sup -}) < 1.0 at 90% confidence level.

Purpose. This study was designed to elucidate the role of amplification at 8q24 in the pathophysiology of ovarian and breast cancer since increased copy number at this locus is one of the most frequent genomic abnormalities in these cancers. Experimental Design. To accomplish this, we assessed the association of amplification at 8q24 with outcome in ovarian cancers using FISH to tissue microarrays and measured responses of ovarian and breast cancer cell lines to specific small interfering RNAs (siRNA) against the oncogene, MYC, and a putative noncoding RNA, PVT1, both of which map to 8q24. Results. Amplification of 8q24 was associated with significantly reduced survival duration. In addition, siRNA-mediated reduction in either PVT1 or MYC expression inhibited proliferation in breast and ovarian cancer cell lines in which they were both amplified and over expressed but not in lines in which they were not amplified/over expressed. Inhibition of PVT1 expression also induced a strong apoptotic response in cell lines in which it was over expressed but not in lines in which it was not amplified/over expressed. Inhibition of MYC, on the other hand, did not induce an apoptotic response in cell lines in which MYC was amplified and over expressed. Conclusions. These …