The 222-S Laboratory contains 155 active fume hoods that are used to support analytical work with radioactive and/or toxic materials. The performance of a fume hood was brought into question after employees detected odors in the work area while mixing chemicals within the subject fume hood. Following the event, testing of the fume hood was conducted to assess the performance of the fume hood. Based on observations from the testing, it was deemed appropriate to conduct performance evaluations of other fume hoods within the laboratory.

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We develop a new ab initio many-body approach capable of describing simultaneously both bound and scattering states in light nuclei, by combining the resonating-group method with the use of realistic interactions, and a microscopic and consistent description of the nucleon clusters. This approach preserves translational symmetry and Pauli principle. We present phase shifts for neutron scattering on {sup 3}H, {sup 4}He and {sup 10}Be and proton scattering on {sup 3,4}He, using realistic nucleon-nucleon potentials. Our A = 4 scattering results are compared to earlier ab initio calculations. We demonstrate that a proper treatment of the coupling to the n-{sup 10}Be continuum is essential to explain the parity-inverted ground state in {sup 11}Be.

Many turbulent premixed flames of practical interest are statistically stationary. They occur in combustors that have anchoring mechanisms to prevent blow-off and flashback. The stabilization devices often introduce a level of geometric complexity that is prohibitive for detailed computational studies of turbulent flame dynamics. As a result, typical detailed simulations are performed in simplified model configurations such as decaying isotropic turbulence or inflowing turbulence. In these configurations, the turbulence seen by the flame either decays or, in the latter case, increases as the flame accelerates toward the turbulent inflow. This limits the duration of the eddy evolutions experienced by the flame at a given level of turbulent intensity, so that statistically valid observations cannot be made. In this paper, we apply a feedback control to computationally stabilize an otherwise unstable turbulent premixed flame in two dimensions. For the simulations, we specify turbulent in flow conditions and dynamically adjust the integrated fueling rate to control the mean location of the flame in the domain. We outline the numerical procedure, and illustrate the behavior of the control algorithm. We use the simulations to study the propagation and the local chemical variability of turbulent flame chemistry.

The usual approach to deal with noise present in many real-world optimization problems is to take an arbitrary number of samples of the objective function and use the sample average as an estimate of the true objective value. The number of samples is typically chosen arbitrarily and remains constant for the entire optimization process. This paper studies an adaptive sampling technique that varies the number of samples based on the uncertainty of deciding between two individuals. Experiments demonstrate the effect of adaptive sampling on the final solution quality reached by a genetic algorithm and the computational cost required to find the solution. The results suggest that the adaptive technique can effectively eliminate the need to set the sample size a priori, but in many cases it requires high computational costs.

In 2006, we proposed to NASA a detailed concept study of ADEPT (the Advanced Dark Energy Physics Telescope), a potential space mission to reliably measure the time-evolution of dark energy by conducting the largest effective volume survey of the universe ever done. A peer-review panel of scientific, management, and technical experts reported back the highest possible 'excellent' rating for ADEPT. We have since made substantial advances in the scientific and technical maturity of the mission design. With this Department of Energy (DOE) award we were granted supplemental funding to support specific extended research items that were not included in the NASA proposal, many of which were intended to broadly advance future dark energy research, as laid out by the Dark Energy Task Force (DETF). The proposed work had three targets: (1) the adaptation of large-format infrared arrays to a 2 micron cut-off; (2) analytical research to improve the understanding of the dark energy figure-of- merit; and (3) extended studies of baryon acoustic oscillation systematic uncertainties. Since the actual award was only for {approx}10% of the proposed amount item (1) was dropped and item (2) work was severely restricted, consistent with the referee reviews of the proposal, although there was considerable …

This paper describes four general categories of infrastructure interdependencies (physical, cyber, geographic, and logical) as they apply to the water/wastewater infrastructure, and provides an overview of one of the analytic approaches and tools used by Argonne National Laboratory to evaluate interdependencies. Also discussed are the dimensions of infrastructure interdependency that create spatial, temporal, and system representation complexities that make analyzing the water/wastewater infrastructure particularly challenging. An analytical model developed to incorporate the impacts of interdependencies on infrastructure repair times is briefly addressed.

The Los Angeles Department of Water and Power (LADWP) is currently one of the most active electric utility companies in deploying fuel cell technology. Fuel cells offer many benefits and are now used as an alternative to traditional internal combustion engines in power generation. In continuing it's role as the leader in fuel cell deploying, LADWP installed a Phosphoric Acid Fuel Cell (PAFC) in February 2002 at its Main Street service center. The goal of this project is to evaluate the PAFC's performance and cost benefits. This will provide LADWP an insight for future deployment of fuel cell technology. The fuel cell ran smoothly through the first year of operation with very high efficiency and availability, and only with some minor setbacks. The Main street fuel cell project is funded by LADWP with partial grant funding from the Department of Defense's Climate Change Fuel Cell Buydown Program. The technical evaluation and the benefit-cost evaluation of the Main Street fuel cell are both examined in this report.

This report provides the U.S. Department of Energy (DOE) and the public with information on the level of radioactive and non-radioactive pollutants (if any) that are added to the environment as a result of Princeton Plasma Physics Laboratory's (PPPL) operations. The results of the 2004 environmental surveillance and monitoring program for PPPL's are presented and discussed. The report also summarizes environmental initiatives, assessments, and programs that were undertaken in 2004.

The knowledge gained from scientific observation, experiment, and simulation is linked to the ability to analyze, understand, and manage the generated results. These abilities are increasingly at odds with the current, and future, capabilities to generate enormous quantities of raw scientific and engineering data from instruments, sensors, and computers. Many researchers are currently engaged in activities that seek to create new and novel methods for analyzing, understanding, and managing these vast collections of data. In this work, we present some of our research in addressing a particular type of problem in this broad undertaking. Much the scientific data of interest is in the form of observed, measured, or computed multivariate or multi-component vector field data--with either as physical or color data values. We are currently researching methods and techniques for working with this type of vector data through the use of a novel analysis technique. Our basic approach is to work with the vector field data in its natural physical or color space. When the data is viewed as a functional mapping of a domain, usually an index space, to a range, the physical or color values, potentially interesting characteristics of the data present themselves. These characteristics are useful in …

QR and LU factorizations for dense matrices are important linear algebra computations that are widely used in scientific applications. To efficiently perform these computations on modern computers, the factorization algorithms need to be blocked when operating on large matrices to effectively exploit the deep cache hierarchy prevalent in today's computer memory systems. Because both QR (based on Householder transformations) and LU factorization algorithms contain complex loop structures, few compilers can fully automate the blocking of these algorithms. Though linear algebra libraries such as LAPACK provides manually blocked implementations of these algorithms, by automatically generating blocked versions of the computations, more benefit can be gained such as automatic adaptation of different blocking strategies. This paper demonstrates how to apply an aggressive loop transformation technique, dependence hoisting, to produce efficient blockings for both QR and LU with partial pivoting. We present different blocking strategies that can be generated by our optimizer and compare the performance of auto-blocked versions with manually tuned versions in LAPACK, both using reference BLAS, ATLAS BLAS and native BLAS specially tuned for the underlying machine architectures.

The High Level Waste (HLW) Salt Disposition Systems Engineering Team was formed on March 13, 1998, and chartered to identify options, evaluate alternatives, and recommend a selected alternative(s) for processing HLW salt to a permitted wasteform. This requirement arises because the existing In-Tank Precipitation process at the Savannah River Site, as currently configured, cannot simultaneously meet the HLW production and Authorization Basis safety requirements. This engineering study was performed in four phases. This document provides the technical bases, assumptions, and results of this engineering study.

The Fortran 90 RIAPMTQ/IMPACT code package is a pair of linked beam-dynamics simulation codes that have been developed for end-to-end computer simulations of multiple-charge-state heavy-ion linacs for future exotic-beam facilities. These codes have multiple charge-state capability, and include space-charge forces. The simulations can extend from the low-energy beam-transport line after an ECR ion source to the end of the linac. The work has been performed by a collaboration including LANL, LBNL, ANL, and MSU. The code RIAPMTQ simulates the linac front-end beam dynamics including the LEBT, RFQ, and MEBT. The code IMPACT simulates the beam dynamics of the main superconducting linac. The codes have been benchmarked for rms beam properties against previously existing codes at ANL and MSU. The codes allow high-statistics runs on parallel supercomputing platforms, particularly at NERSC at LBNL, for studies of beam losses. The codes also run on desktop PC computers for low-statistics work. The code package is described in more detail in a recent publication [1] in the Proceedings of PAC07 (2007 US Particle Accelerator Conference). In this report we describe the main activities for the FY07 beam-loss studies project using this code package.

Compositional data are represented as vector variables with individual vector components ranging between zero and a positive maximum value representing a constant sum constraint, usually unity (or 100 percent). The earth sciences are flooded with spatial distributions of compositional data, such as concentrations of major ion constituents in natural waters (e.g. mole, mass, or volume fractions), mineral percentages, ore grades, or proportions of mutually exclusive categories (e.g. a water-oil-rock system). While geostatistical techniques have become popular in earth science applications since the 1970s, very little attention has been paid to the unique mathematical properties of geostatistical formulations involving compositional variables. The book 'Geostatistical Analysis of Compositional Data' by Vera Pawlowsky-Glahn and Ricardo Olea (Oxford University Press, 2004), unlike any previous book on geostatistics, directly confronts the mathematical difficulties inherent to applying geostatistics to compositional variables. The book righteously justifies itself with prodigious referencing to previous work addressing nonsensical ranges of estimated values and error, spurious correlation, and singular cross-covariance matrices.

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This research program is directed at obtaining detailed experimental information on the electronic interactions between metals and organic molecules. These interactions provide low energy pathways for many important chemical and catalytic processes. A major feature of the program is the continued development and application of our special high-resolution valence photoelectron spectroscopy (UPS), and high-precision X-ray core photoelectron spectroscopy (XPS) instrumentation for study of organometallic molecules in the gas phase. The study involves a systematic approach towards understanding the interactions and activation of bound carbonyls, C-H bonds, methylenes, vinylidenes, acetylides, alkenes, alkynes, carbenes, carbynes, alkylidenes, alkylidynes, and others with various monometal, dimetal, and cluster metal species. Supporting ligands include -aryls, alkoxides, oxides, and phosphines. We are expanding our studies of both early and late transition metal species and electron-rich and electron-poor environments in order to more completely understand the electronic factors that serve to stabilize particular organic fragments and intermediates on metals. Additional new directions for this program are being taken in ultra-high vacuum surface UPS, XPS, scanning tunneling microscopy (STM) and atomic force microscopy (AFM) experiments on both physisorbed and chemisorbed organometallic thin films. The combination of these methods provides additional electronic structure information on surface-molecule and molecule-molecule interactions. A …

We investigate the climate forcing from and response to projected changes in short-lived species and methane under the A1B scenario from 2000-2050 in the GISS climate model. We present a meta-analysis of new simulations of the full evolution of gas and aerosol species and other existing experiments with variations of the same model. The comparison highlights the importance of several physical processes in determining radiative forcing, especially the effect of climate change on stratosphere-troposphere exchange, heterogeneous sulfate-nitrate-dust chemistry, and changes in methane oxidation and natural emissions. However, the impact of these fairly uncertain physical effects is substantially less than the difference between alternative emission scenarios for all short-lived species. The net global mean annual average direct radiative forcing from the short-lived species is .02 W/m{sup 2} or less in our projections, as substantial positive ozone forcing is largely offset by negative aerosol direct forcing. Since aerosol reductions also lead to a reduced indirect effect, the global mean surface temperature warms by {approx}0.07 C by 2030 and {approx}0.13 C by 2050, adding 19% and 17%, respectively, to the warming induced by long-lived greenhouse gases. Regional direct forcings are large, up to 3.8 W/m{sup 2}. The ensemble-mean climate response shows little regional …

In the context of eternal inflation we discuss the fate of Lambda = 0 bubbles when they collide with Lambda< 0 crunching bubbles. When the Lambda = 0 bubble is supersymmetric, it is not completely destroyed by collisions. If the domain wall separating the bubbles has higher tension than the BPS bound, it is expelled from the Lambda = 0 bubble and does not alter its long time behavior. If the domain wall saturates the BPS bound, then it stays inside the Lambda = 0 bubble and removes a finite fraction of future infinity. In this case, the crunch singularity is hidden behind the horizon of a stable hyperbolic black hole.

We study the Collins mechanism for the single transverse spin asymmetry in the collinear factorization approach. The correspondent twist-three fragmentation function is identified. We show that the Collins function calculated in this approach is universal.We further examine its contribution to the single transverse spin asymmetry of semi-inclusive hadron production in deep inelastic scattering and demonstrate that the transverse momentum dependent and twist-three collinear approaches are consistent in the intermediate transverse momentum region where both apply.

We perform a maximum likelihood analysis of the cluster abundance measured in the SDSS using the maxBCG cluster finding algorithm. Our analysis is aimed at constraining the power spectrum normalization {sigma}{sub 8}, and assumes flat cosmologies with a scale invariant spectrum, massless neutrinos, and CMB and supernova priors {Omega}{sub m}h{sup 2} = 0.128 {+-} 0.01 and h = 0.72 {+-} 0.05 respectively. Following the method described in the companion paper Rozo et al. (2007), we derive {sigma}{sub 8} = 0.92 {+-} 0.10 (1{sigma}) after marginalizing over all major systematic uncertainties. We place strong lower limits on the normalization, {sigma}{sub 8} > 0.76 (95% CL) (> 0.68 at 99% CL). We also find that our analysis favors relatively low values for the slope of the Halo Occupation Distribution (HOD), {alpha} = 0.83 {+-} 0.06. The uncertainties of these determinations will substantially improve upon completion of an ongoing campaign to estimate dynamical, weak lensing, and X-ray cluster masses in the SDSS maxBCG cluster sample.

The authors present an overview of the technical objectives of the Terascale Simulation Tools and Technologies center. The primary goal of this multi-institution collaboration is to develop technologies that enable application scientists to easily use multiple mesh and discretization strategies within a single simulation on terascale computers. The discussion focuses on the efforts to create interoperable mesh generation tools, high-order discretization techniques, and adaptive meshing strategies.

In contrast to failure approaches at the lamina level or the micromechanics level the present work concerns failure characterization at the laminate level. Specifically, attention is given to the ultimate failure characterization for quasi-isotropic laminates. This is in further contrast to the commonly used approaches for initial damage or progressive damage. It is shown that the analytical failure forms decompose into two modes, one for out of plane, delamination type failure and one for in plane, fiber controlled type failure. The work here is mainly given over to the delamination mode of failure. Experimental results are presented for laminates in this mode of failure. These results are then integrated with the analytical forms to give a simple criterion for delamination failure.

Detailed chemical kinetic reaction mechanisms are developed for all nine chemical isomers of heptane (C{sub 7}H{sub 16}), following techniques and models developed previously for other smaller alkane hydrocarbon species. These reaction mechanisms are tested at high temperatures by computing shock tube ignition delay times and at lower temperatures by simulating ignition in a rapid compression machine. Although the corresponding experiments have not been reported in the literature for most of these isomers of heptane, intercomparisons between the computed results for these isomers and comparisons with available experimental results for other alkane fuels are used to validate the reaction mechanisms as much as possible. Differences in the overall reaction rates of these fuels are discussed in terms of differences in their molecular structure and the resulting variations in rates of important elementary reactions. Reaction mechanisms in this study are works in progress and the results reported here are subject to change, based on model improvements and corrections of errors not yet discovered.

The evaporation rate of D{sub 2}O has been determined by Raman thermometry of a droplet train (12-15 {micro}m diameter) injected into vacuum ({approx}10{sup -5} torr). The cooling rate measured as a function of time in vacuum was fit to a model that accounts for temperature gradients between the surface and the core of the droplets, yielding an evaporation coefficient ({gamma}{sub e}) of 0.57 {+-} 0.06. This is nearly identical to that found for H{sub 2}O (0.62 {+-} 0.09) using the same experimental method and model, and indicates the existence of a kinetic barrier to evaporation. The application of a recently developed transition state theory (TST) model suggests that the kinetic barrier is due to librational and hindered translational motions at the liquid surface, and that the lack of an isotope effect is due to competing energetic and entropic factors. The implications of these results for cloud and aerosol particles in the atmosphere are discussed.