Following our earlier study on the dynamics of low energy electron attachment to formic acid, we report the results of elastic low-energy electron collisions with formic acid. Momentum transfer and angular differential cross sections were obtained by performing fixed-nuclei calculations employing the complex Kohn variational method. We make a brief description of the technique used to account for the polar nature of this polyatomic target and compare our results with available experimental data.

Chemical Cleaning is currently in progress for Tanks 5 and 6 at the Savannah River Site. The Chemical Cleaning process is being utilized to remove the residual waste heel remaining after completion of Mechanical Sludge Removal. This work is required to prepare the tanks for closure. Tanks 5 and 6 are 1950s vintage carbon steel waste tanks that do not meet current containment standards. These tanks are 22.9 meters (75 feet) in diameter, 7.5 meters (24.5 feet) in height, and have a capacity of 2.84E+6 liters (750,000 gallons). Chemical Cleaning adds 8 wt % oxalic acid to the carbon steel tank to dissolve the remaining sludge heel. The resulting acidic waste solution is transferred to Tank 7 where it is pH adjusted to minimize corrosion of the carbon steel tank. The Chemical Cleaning flowsheet includes multiple strikes of acid in each tank. Acid is delivered by tanker truck and is added to the tanks through a hose assembly connected to a pipe penetration through the tank top. The flowsheet also includes spray washing with acid and water. This paper includes an overview of the configuration required for Chemical Cleaning, the planned flowsheet, and an overview of technical concerns associated with …

We study the lithospheric structure of Africa, Arabia and adjacent oceanic regions with fundamental-mode surface waves over a wide period range. Including short period group velocities allows us to examine shallower features than previous studies of the whole continent. In the process, we have developed a crustal thickness map of Africa. Main features include crustal thickness increases under the West African, Congo, and Kalahari cratons. We find crustal thinning under Mesozoic and Cenozoic rifts, including the Benue Trough, Red Sea, and East, Central, and West African rift systems. Crustal shear wave velocities are generally faster in oceanic regions and cratons, and slower in more recent crust and in active and formerly active orogenic regions. Deeper structure, related to the thickness of cratons and modern rifting, is generally consistent with previous work. Under cratons we find thick lithosphere and fast upper mantle velocities, while under rifts we find thinned lithosphere and slower upper mantle velocities. There are no consistent effects in areas classified as hotspots, indicating that there seem to be numerous origins for these features. Finally, it appears that the African Superswell has had a significantly different impact in the north and the south, indicating specifics of the feature (temperature, …

Calcium carbonate crystallization in organisms often occurs through the transformation from the amorphous precursor. It is believed that the amorphous phase could be temporarily stabilized and stored, until its templated transition to the crystalline form is induced. Here we develop a bio-inspired crystallization strategy that is based on the above mechanism. Amorphous calcium carbonate (ACC) spherulitic particles are formed and stabilized on a self-assembled monolayer (SAM) of hydroxy-terminated alkanethiols on Au surface. The ACC is stored as a reservoir for ions and is induced to crystallize on command by introducing a secondary surface that is functionalized with carboxylic acid-terminated SAM. This secondary surface acts as a template for oriented and patterned nucleation. Various oriented crystalline arrays and micropatterned films are formed. We also show that the ACC phase can be doped with foreign ions (e.g. Mg) and organic molecules (e.g. dyes) and that these dopants later function as growth modifiers of calcite crystals and become incorporated into the crystals during the transformation process of ACC to calcite. We believe that our strategy opens the way of using a stabilized amorphous phase as a versatile reservoir system that can be converted in a highly controlled fashion to a crystalline form upon …

The U.S. Department of Energy (DOE) is interested in developing tools and methods for use in designing and evaluating safeguards systems for current and future plants in the nuclear power fuel cycle. The DOE is engaging several DOE National Laboratories in efforts applied to safeguards for chemical conversion plants and gaseous centrifuge enrichment plants. As part of the development, Lawrence Livermore National Laboratory has developed an integrated safeguards system analysis tool (LISSAT). This tool provides modeling and analysis of facility and safeguards operations, generation of diversion paths, and evaluation of safeguards system effectiveness. The constituent elements of diversion scenarios, including material extraction and concealment measures, are structured using directed graphs (digraphs) and fault trees. Statistical analysis evaluates the effectiveness of measurement verification plans and randomly timed inspections. Time domain simulations analyze significant scenarios, especially those involving alternate time ordering of events or issues of timeliness. Such simulations can provide additional information to the fault tree analysis and can help identify the range of normal operations and, by extension, identify additional plant operational signatures of diversions. LISSAT analyses can be used to compare the diversion-detection probabilities for individual safeguards technologies and to inform overall strategy implementations for present and future plants. …

Laser ablation has proven to be an effective method for generating nanoparticles; particles are produced in the laser induced vapor plume during the cooling stage. To understand the in-situ condensation process, a series of time resolved light scattering images were recorded and analyzed. Significant changes in the condensation rate and the shape of the condensed aerosol plume were observed in two background gases, helium and argon. The primary particle shape and size distribution were measured using a transmission electron microscope (TEM), a scanning electron microscope (SEM) and a differential mobility analyzer (DMA). The gas dynamics simulation included nucleation and coagulation within the vapor plume, heat and mass transfer from the vapor plume to the background gas, and heat transfer to the sample. The experimental data and the calculated evolution of the shape of the vapor plume showed the same trend for the spatial distribution of the condensed particles in both background gases. The simulated particle size distribution also qualitatively agreed with the experimental data. It was determined that the laser energy, the physical properties of the background gas (conductivity, diffusivity and viscosity), and the shape of the ablation system (ablation chamber and the layout of the sample) have strong effects …

We currently use the CORSICA integrated modeling code for scenario studies for both the DIII-D and ITER experiments. In these simulations, free- or fixed-boundary equilibria are simultaneously converged with thermal evolution determined from transport models providing temperature and current density profiles. Using a combination of fixed boundary evolution followed by free-boundary calculation to determine the separatrix and coil currents. In the free-boundary calculation, we use the state-space controller representation with transport simulations to provide feedback modeling of shape, vertical stability and profile control. In addition to a tightly coupled calculation with simulator and controller imbedded inside CORSICA, we also use a remote procedure call interface to couple the CORSICA non-linear plasma simulations to the controller environments developed within the Mathworks Matlab/Simulink environment. We present transport simulations using full shape and vertical stability control with evolution of the temperature profiles to provide simulations of the ITER controller and plasma response.

Previous work on intact thylakoid membranes showed that transient formation of a zeaxanthin radical cation was correlated with regulation of photosynthetic light-harvesting via energy-dependent quenching. A molecular mechanism for such quenching was proposed to involve charge transfer within a chlorophyll-zeaxanthin heterodimer. Using near infrared (880-1100 nm) transient absorption spectroscopy, we demonstrate that carotenoid (mainly zeaxanthin) radical cation generation occurs solely in isolated minor light-harvesting complexes that bind zeaxanthin, consistent with the engagement of charge transfer quenching therein. We estimated that less than 0.5percent of the isolated minor complexes undergo charge transfer quenching in vitro, whereas the fraction of minor complexes estimated to be engaged in charge transfer quenching in isolated thylakoids was more than 80 times higher. We conclude that minor complexes which bind zeaxanthin are sites of charge transfer quenching in vivo and that they can assume Non-quenching and Quenching conformations, the equilibrium LHC(N)<--> LHC(Q) of which is modulated by the transthylakoid pH gradient, the PsbS protein, and protein-protein interactions.

The National Ignition Facility (NIF) requires optical diagnostics for measuring shock velocities in shock physics experiments. The Velocity Interferometer System for Any Reflector (VISAR) measures shock velocities, shock breakout times, and emission of 1- to 5-mm targets at a location remote to the NIF target chamber. Three optical systems using the same vacuum chamber port each have a total track of 69 feet. All optical lenses are on kinematic mounts or sliding rails, enabling pointing accuracy of the optical axis to be checked. Counter-propagating laser beams (orange and red) align these diagnostics to a listing of tolerances. The orange alignment laser is introduced at the entrance to the two-level interferometer table and passes forward through the optical systems to the recording streak cameras. The red alignment laser is introduced in front of the recording streak cameras and passes in the reverse direction through all optical elements, out of the interferometer table, eventually reaching the target chamber center. Red laser wavelength is selected to be at the 50 percent reflection point of a special beamsplitter used to separate emission light from the Doppler-shifted interferometer light. Movable aperture cards, placed before and after lens groups, show the spread of alignments spots created …

Geologic storage of CO2 can be a viable technology forreducing atmospheric emissions of greenhouse gases only if it can bedemonstrated that leakage from proposed storage reservoirs and associatedhazards are small or can be mitigated. Risk assessment must evaluatepotential leakage scenarios and develop a rational, mechanisticunderstanding of CO2 behavior during leakage. Flow of CO2 may be subjectto positive feedbacks that could amplify leakage risks and hazards,placing a premium on identifying and avoiding adverse conditions andmechanisms. A scenario that is unfavorable in terms of leakage behavioris formation of a secondary CO2 accumulation at shallow depth. This paperdevelops a detailed numerical simulation model to investigate CO2discharge from a secondary accumulation, and evaluates the role ofdifferent thermodynamic and hydrogeologic conditions. Our simulationsdemonstrate self-enhancing as well as self-limiting feedbacks.Condensation of gaseous CO2, 3-phase flow of aqueous phase -- liquid CO2-- gaseous CO2, and cooling from Joule-Thomson expansion and boiling ofliquid CO2 are found to play important roles in the behavior of a CO2leakage system. We find no evidence that a subsurface accumulation of CO2at ambient temperatures could give rise to a high-energy discharge, aso-called "pneumatic eruption."

Mercuric iodide (HgI2) is a well known material for the direct detection of gamma rays; however, the largest volume achievable is limited by thickness of the detector, which needs to be a small fraction of the average trapping length for electrons. We are reporting here preliminary results in using HgI2 crystals to fabricate photocells used in the readout of various scintillators. The optical spectral response and efficiency of these photocells were measured and will be reported. Preliminary nuclear response from a HgI2 photocell that was optically matched to a Ce3+ :LaBr3 scintillator will also be presented and discussed. Further improvements will be sought by optimizing the transparent contact technology.

We present S/1 and R/1 test results on unconditioned and 355 nm (3{omega}), 500 ps laser conditioned DKDP. We find up to {approx}2.5X improvement in fluence in the S/1 performance after 3{omega}, 500 ps conditioning to 5 J/cm{sup 2}. For the first time, we observe a shift to higher fluences in the R/1 results for DKDP at 3{omega}, 7 ns due to 500 ps laser conditioning. The S/1 results are compared to {rho}({phi}) results previously measured on the same DKDP crystal [1]. A consistent behavior in fluence was found between the S/1 and {rho}({phi}) results for unconditioned and 500 ps conditioned DKDP. We were successful at using Poisson statistics to derive a connection between the S/1 and {rho}({phi}) results that could be tested with our data sets by trying to predict the shape of the {rho}({phi}) curve. The value for the power dependence on fluence of {rho}({phi}) derived from the S/1 data was {approx}11 {+-} 50%. The results presented and discussed here imply a strong correlation between the damage probability (S/1) test and {rho}({phi}). We find a consistent description of the two test types in terms of a power law {rho}({phi}) and that this basic shape held for all cases, …

3D cell cultures are rapidly becoming the method of choice for the physiologically relevant modeling of many aspects of non-malignant and malignant cell behavior ex vivo. Nevertheless, only a limited number of distinct cell types have been evaluated in this assay to date. Here we report the first large scale comparison of the transcriptional profiles and 3D cell culture phenotypes of a substantial panel of human breast cancer cell lines. Each cell line adopts a colony morphology of one of four main classes in 3D culture. These morphologies reflect, at least in part, the underlying gene expression profile and protein expression patterns of the cell lines, and distinct morphologies were also associated with tumor cell invasiveness and with cell lines originating from metastases. We further demonstrate that consistent differences in genes encoding signal transduction proteins emerge when even tumor cells are cultured in 3D microenvironments.

Optical streak cameras are used as primary diagnostics for a wide range of physics and laser experiments at facilities such as the National Ignition Facility (NIF). To meet the strict accuracy requirements needed for these experiments, the systematic nonlinearities of the streak cameras (attributed to nonlinearities in the optical and electrical components that make up the streak camera system) must be characterized. In some cases the characterization information is used as a guide to help determine how experiment data should be taken. In other cases, the characterization data are applied to the raw data images to correct for the nonlinearities. In order to characterize an optical streak camera, a specific set of data is collected, where the response to defined inputs are recorded. A set of analysis software routines has been developed to extract information such as spatial resolution, dynamic range, and temporal resolution from this data set. The routines are highly automated, requiring very little user input and thus provide very reliable and repeatable results that are not subject to interpretation. An emphasis on quality control has been placed on these routines due to the high importance of the camera characterization information.

Previous research has identified links between changes in sea surface temperature (SST) and hurricane intensity. We use climate models to study the possible causes of SST changes in Atlantic and Pacific tropical cyclogenesis regions. The observed SST increases in these regions range from 0.32 to 0.67 C over the 20th century. The 22 climate models examined here suggest that century-timescale SST changes of this magnitude cannot be explained solely by unforced variability of the climate system, even under conservative assumptions regarding the magnitude of this variability. Model simulations that include external forcing by combined anthropogenic and natural factors are generally capable of replicating observed SST changes in both tropical cyclogenesis regions.

Consider the linear system Ax = b, where A is a large, sparse, real, symmetric, and positive definite matrix and b is a known vector. Solving this system for unknown vector x using a smoothed aggregation multigrid (SA) algorithm requires a characterization of the algebraically smooth error, meaning error that is poorly attenuated by the algorithm's relaxation process. For relaxation processes that are typically used in practice, algebraically smooth error corresponds to the near-nullspace of A. Therefore, having a good approximation to a minimal eigenvector is useful to characterize the algebraically smooth error when forming a linear SA solver. This paper discusses the details of a generalized eigensolver based on smoothed aggregation (GES-SA) that is designed to produce an approximation to a minimal eigenvector of A. GES-SA might be very useful as a standalone eigensolver for applications that desire an approximate minimal eigenvector, but the primary aim here is for GES-SA to produce an initial algebraically smooth component that may be used to either create a black-box SA solver or initiate the adaptive SA ({alpha}SA) process.

This paper will describe the use of a microchannel plate (MCP) as the associated particle detector on a sealed tube neutron generator. The generator produces neutrons and associated alpha particles for use as a probe to locate and identify hidden explosives in associated particle imaging (API). The MCP measures the position in two dimensions and precise timing of the incident alpha particle, information which is then used to calculate the emission time and direction of the corresponding neutron. The MCP replaces the position-sensitive photomultipler tube (PSPMT) which, until recently, had been the only detector available for measuring position and timing for alpha particles in neutron generator applications. Where the PSPMT uses charge division for generating position information, a process that requires a first order correction to each pulse, the MCP uses delay-line timing, which requires no correction. The result is a device with an order of magnitude improvement in both position resolution and timing compared to the PSPMT. Hardware and software development and the measurements made to characterize the MCP for API applications are described.

Plastic deformation has been observed in damascene Cu interconnect test structures during an in-situ electromigration experiment and before the onset of visible microstructural damage (ie. voiding) using a synchrotron technique of white beam X-ray microdiffraction. We show here that the extent of this electromigration-induced plasticity is dependent on the texture of the Cu grains in the line. In lines with strong <111> textures, the extent of plastic deformation is found to be relatively large compared to our plasticity results in the previous study [1] using another set of Cu lines with weaker textures. This is consistent with our earlier observation that the occurrence of plastic deformation in a given grain can be strongly correlated with the availability of a <112> direction of the crystal in the proximity of the direction of the electron flow in the line (within an angle of 10{sup o}). In <111> out-of-plane oriented grains in a damascene interconnect scheme, the crystal plane facing the sidewall tends to be a {l_brace}110{r_brace} plane,[2-4] so as to minimize interfacial energy. Therefore, it is deterministic rather than probabilistic that the <111> grains will have a <112> direction nearly parallel to the direction of electron flow. Thus, strong <111> textures lead …

This paper analyzes a two-level preconditioning scheme for H(curl) bilinear forms. The scheme utilizes an auxiliary problem on a related mesh that is more amenable for constructing optimal order multigrid methods. More specifically, we analyze the case when the auxiliary mesh only approximately covers the original domain. The latter assumption is important since it allows for easy construction of nested multilevel spaces on regular auxiliary meshes. Numerical experiments in both two and three space dimensions illustrate the optimal performance of the method.

The Hypothetical Accident Conditions (HAC) sequential test of radioactive materials packages includes a thermal test to confirm the ability of the package to withstand a transportation fire event. The test specified by the regulations (10 CFR 71) consists of a 30 minute, all engulfing, hydrocarbon fuel fire, with an average flame temperature of at least 800 C. The requirements specify an average emissivity for the fire of at least 0.9, which implies an essentially black radiation environment. Alternate test which provide equivalent total heat input at the 800 C time averaged environmental temperature may also be employed. When alternate tests methods are employed, such as furnace or gaseous fuel fires, the equivalence of the radiation environment may require justification. The effects of furnace and open confinement fire environments are compared with the regulatory fire environment, including the effects of gases resulting from decomposition of package overpack materials. The results indicate that furnace tests can produce the required radiation heat transfer environment, i.e., equivalent to the postulated pool fire. An open enclosure, with transparent (low emissivity) fire does not produce an equivalent radiation environment.

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In order to create a successful grid infrastructure, sites and resource providers must be able to publish information about their underlying resources and services. This information makes it easier for users and virtual organizations to make intelligent decisions about resource selection and scheduling, and can be used by the grid infrastructure for accounting and troubleshooting services. However, such an outbound stream may include data deemed sensitive by a resource-providing site, exposing potential security vulnerabilities or private user information to the world at large, including malicious entities. This study analyzes the various vectors of information being published from sites to grid infrastructures. In particular, it examines the data being published to, and collected by the Open Science Grid, including resource selection, monitoring, accounting, troubleshooting, logging and site verification data. We analyze the risks and potential threat models posed by the publication and collection of such data. We also offer some recommendations and best practices for sites and grid infrastructures to manage and protect sensitive data.

We describe a method for generating molecular hydrogen directly from the charge separation effected via rapid flow of liquid water through a metal orifice, wherein the input energy is the hydrostatic pressure times the volume flow rate. Both electrokinetic currents and hydrogen production rates are shown to follow simple equations derived from the overlap of the fluid velocity gradient and the anisotropic charge distribution resulting from selective adsorption of hydroxide ions to the nozzle surface. Pressure-driven fluid flow shears away the charge balancing hydronium ions from the diffuse double layer and carries them out of the aperture. Downstream neutralization of the excess protons at a grounded target electrode produces gaseous hydrogen molecules. The hydrogen production efficiency is currently very low (ca. 10-6) for a single cylindrical jet, but can be improved with design changes.

Funding for implementing risk handling strategies typically is allocated according to either the risk-averse approach (the worst risk first) or the cost-effective approach (the greatest risk reduction per implementation dollar first). This paper introduces a prime value approach in which risk handling strategies are prioritized according to how nearly they meet the goals of the organization that disburses funds for risk handling. The prime value approach factors in the importance of the project in which the risk has been identified, elements of both risk-averse and cost-effective approaches, and the time period in which the risk could happen. This paper also presents a prioritizer spreadsheet, which employs weighted criteria to calculate a relative rank for the handling strategy of each risk evaluated.