This report provides a summary of the demonstration project for development of a slant borehole to retrieve soil samples from beneath the SX-108 single-shell tank. It provides a summary of the findings from the demonstration activities and recommendations for tool selection and methods to deploy into the SX Tank Farm. Daily work activities were recorded on Drilling and Sampling Daily Work Record Reports. The work described in this document was performed during March and April 2000.

The Power Systems Development Facility (PSDF) is a joint Department of Energy/Industry sponsored engineering-scale facility for testing advanced coal-based power generation technologies. High temperature, high pressure gas cleaning is critical to many of these advanced technologies. Barrier filter elements that can operate continuously for nearly 9000 hours are required for a successful gas cleaning system for use in commercial power generation. Since late 1999, the Kellogg Brown & Root Transport reactor at the PSDF has been operated in gasification mode. This paper describes the test results for filter elements operating in the Siemens-Westinghouse particle collection device (PCD) with the Transport reactor in gasification mode. Operating conditions in the PCD have varied during gasification operation as described elsewhere in these proceedings (Martin et al, 2002).

Understanding global-scale ecosystem responses to changing environmental conditions is important both as a scientific question and as the basis for making policy decisions. The confidence in regional models depends on how well the field data used to develop the model represent the region of interest, how well the environmental model driving variables (e.g., vegetation type, climate, and soils associated with a site used to parameterize ecosystem models) represent the region of interest, and how well regional model predictions agree with observed data for the region. To assess the accuracy of global model forecasts of terrestrial carbon cycling, two Ecosystem Model-Data Intercomparison (EMDI) workshops were held (December 1999 and April 2001). The workshops included 17 biogeochemical, satellite-driven, detailed process, and dynamic vegetation global model types. The approach was to run regional or global versions of the models for sites with net primary productivity (NPP) measurements (i.e., not fine-tuned for specific site conditions) and analyze the model-data differences. Extensive worldwide NPP data were assembled with model driver data, including vegetation, climate, and soils data, to perform the intercomparison. This report describes the compilation of NPP estimates for 2,523 sites and 5,164 0.5{sup o}-grid cells under the Global Primary Production Data Initiative (GPPDI) …

Sum frequency generation (SFG) surface vibrational spectroscopy was used to characterize interfaces pertinent to current surface engineering applications, such as thin film polymers and novel catalysts. An array of advanced surface science techniques like scanning probe microscopy (SPM), x-ray photoelectron spectroscopy (XPS), gas chromatography (GC) and electron microscopy were used to obtain experimental measurements complementary to SFG data elucidating polymer and catalyst surface composition, surface structure, and surface mechanical behavior. Experiments reported in this dissertation concentrate on three fundamental questions: (1) How does the interfacial molecular structure differ from that of the bulk in real world applications? (2) How do differences in chemical environment affect interface composition or conformation? (3) How do these changes correlate to properties such as mechanical or catalytic performance? The density, surface energy and bonding at a solid interface dramatically alter the polymer configuration, physics and mechanical properties such as surface glass transition, adhesion and hardness. The enhanced sensitivity of SFG at the buried interface is applied to three systems: a series of acrylates under compression, the compositions and segregation behavior of binary polymer polyolefin blends, and the changes in surface structure of a hydrogel as a function of hydration. In addition, a catalytically active thin …

Computational chemists are using Common Component Architecture (CCA) technology to increase the parallel scalability of their application ten-fold. Combustion researchers are publishing science faster because the CCA manages software complexity for them. Both the solver and meshing communities in SciDAC are converging on community interface standards as a direct response to the novel level of interoperability that CCA presents. Yet, there is much more to do before component technology becomes mainstream computational science. This paper highlights the impact that the CCA has made on scientific applications, conveys some lessons learned from five years of the SciDAC program, and previews where applications could go with the additional capabilities that the CCA has planned for SciDAC 2.

Each year, thousands of new oil and gas wells are drilled in the United States and around the world. The drilling process generates millions of barrels of drilling waste each year, primarily used drilling fluids (also known as muds) and drill cuttings. The drilling wastes from most onshore U.S. wells are disposed of by removing the liquids from the drilling or reserve pits and then burying the remaining solids in place (called pit burial). This practice has low cost and the approval of most regulatory agencies. However, there are some environmental settings in which pit burial is not allowed, such as areas with high water tables. In the U.S. offshore environment, many water-based and synthetic-based muds and cuttings can be discharged to the ocean if discharge permit requirements are met, but oil-based muds cannot be discharged at all. At some offshore facilities, drilling wastes must be either hauled back to shore for disposal or disposed of onsite through an injection process.

This report describes a project sponsored by the U.S. Department of Energy (DOE) and implemented by the Pacific Northwest National Laboratory (PNNL), from 2000 to 2007 to improve the performance of reflector type (R-lamp) compact fluorescent lamps (CFLs) and increase their availability throughout the United States by means of a technology development and procurement strategy. In 2000, at the request of the U.S. Department of Energy’s Emerging Technologies Program and its predecessors, the Pacific Northwest National Laboratory undertook a technology procurement seeking R-CFLs that were specifically designed for use in ICAT recessed can fixtures and that met other minimum performance criteria including minimum light output and size restrictions (to ensure they fit in standard residential recessed cans). The technology procurement included two phases. In Phase I, requests for proposals (RFPs) were issued in October 2002 and five manufacturers responded with 12 lamp models. Eight of these models met the minimum requirements and passed the 6-hour short-term test in a simulated ICAT environment. These eight models were subjected to long-term tests of 6,000 or more hours in a simulated ICAT environment. Three of these models passed the short- and long-term tests and were promoted through the program website (www.pnl.gov/rlamps), press releases, …

SNL-9 (permitted by the State Engineer as C-2950) was drilled to provide geological data and hydrological testing of the Culebra Dolomite Member of the Permian Rustler Formation within a proposed re-entrant of the margin of halite dissolved from the upper part of the Salado near Livingston Ridge. SNL-9 is located in the southeast quarter of section 23, T22S, R30E, in eastern Eddy County, New Mexico. SNL-9 was drilled to a total depth of 845 ft below the ground surface. Below surface dune sand and the Berino soil, SNL-9 encountered, in order, the Mescalero caliche, Gatuna, Dewey Lake, Rustler, and uppermost Salado Formations. Two intervals were cored: 1) from the lower Forty-niner Member through the Magenta Dolomite and into the upper Tamarisk Member; and 2) from the lower Tamarisk Member through the Culebra Dolomite and Los Meda?os Members and into the uppermost Salado Formation. Geophysical logs were acquired from the open hole to total depth, and the drillhole was successfully completed with a screened interval open across the Culebra.

SNL-2 was drilled in the northwest quarter of Section 12, T22S, R30E, in eastern Eddy County, New Mexico (Figure 2-1). It is located 574 ft from the north line (fnl) and 859 ft from the west line (fwl) of the section (Figure 2-2). This location places the drillhole east of the Livingston Ridge escarpment among oil wells of the Cabin Lake field. SNL-2 will be used to test hydraulic properties and to monitor ground water levels of the Culebra Dolomite Member of the Permian Rustler Formation. SNL-2 was permitted by the New Mexico State Engineer as C-2948. [Official correspondence regarding permitting and regulatory information must reference this permit number.] In the plan describing the integrated groundwater hydrology program (Sandia National Laboratories, 2003), SNL-2 is also codesignated WTS-1 because the location also satisfies needs for long-term monitoring of water quality and movement in the Culebra Dolomite for RCRA permitting; this program is under the management of Washington TRU Solutions LLC (WTS). In the event that additional wells are established on the SNL-2 drillpad to monitor other hydrological units (e.g., the Magenta Dolomite Member of the Permian Rustler Formation), the current drillhole will likely be referred to as SNL-2C because it is …

SNL-1 (permitted by the New Mexico State Engineer as C-2953) was drilled to provide geological data and hydrological testing of the Culebra Dolomite Member of the Permian Rustler Formation near the margin of dissolution of halite in the upper Permian Salado Formation in the northeast arm of Nash Draw. SNL-1 is located in the northwest quarter of section 16, T21S, R31E, in eastern Eddy County, New Mexico, and it is adjacent to the tailings pile of Mississippi Potash Incorporated (now Intrepid) East mine to test for the presence of shallow zones that might include brine infiltrated from the tailings pile. SNL-1 was drilled to a total depth of 644 ft below ground level (bgl). Below surface wash, SNL-1 encountered, in order, the Mescalero caliche, Dewey Lake, and Rustler Formations.

We report results from the first experiments to explore the evolution of the Rayleigh-Taylor (RT) instability from intentionally three-dimensional (3D) initial conditions at an embedded, decelerating interface in a high-Reynolds-number flow. The experiments used {approx}5 kJ of laser energy to produce a blast wave in polyimide and/or brominated plastic having an initial pressure of {approx}50 Mbars. This blast wave shocked and then decelerated the perturbed interface between first material and a lower-density, C foam. This caused the formation of a decelerating interface with an Atwood number {approx}2/3, producing a long-term positive growth rate for the RT instability. The initial perturbations were a 3D perturbation in an ''egg-crate'' pattern with feature spacings of 71 {micro}m in two orthogonal directions and peak-to-valley amplitudes of 5 {micro}m. The resulting RT spikes were observed to overtake the shock waves at the undisturbed, ''free-fall'' rate, and to subsequently deliver material from behind the interface to the forward shock. This result is unanticipated by prior simulations and models.

The multi-institutional High Performance Corrosion Resistant Materials (HPCRM) Team is cosponsored by the Defense Advanced Projects Agency (DARPA) Defense Science Office (DSO) and the Department of Energy (DOE) Office of Civilian Radioactive Waste Management (OCRWM), and has developed new corrosion-resistant, iron-based amorphous metals that can be applied as coatings with advanced thermal spray technology. Two compositions have corrosion resistance superior to wrought nickel-based Alloy C-22 (UNS No. N06022) in very aggressive environments, including concentrated calcium-chloride brines at elevated temperature. Corrosion costs the Department of Defense billions of dollars every year, with an immense quantity of material in various structures undergoing corrosion. For example, in addition to fluid and seawater piping, ballast tanks, and propulsions systems, approximately 345 million square feet of structure aboard naval ships and crafts require costly corrosion control measures. The use of advanced corrosion-resistant materials to prevent the continuous degradation of this massive surface area would be extremely beneficial. The Fe-based corrosion-resistant, amorphous-metal coatings under development may prove of importance for applications on ships. Such coatings could be used as an 'integral drip shield' on spent fuel containers, as well as protective coatings that could be applied over welds, thereby preventing exposure to environments that might cause …

This report catalogs the existing geologic data that can be found in various databases, published and unpublished reports, and in individuals' technical files. The scope of this catalog is primarily on the 100, 200, and 300 Areas, with a particular emphasis on the 200 Areas. Over 2,922 wells are included in the catalog. Nearly all of these wells (2,459) have some form of driller's or geologist's log. Archived samples are available for 1,742 wells. Particle size data are available from 1,078 wells and moisture data are available from 356 wells. Some form of chemical property data is available from 588 wells. However, this catalog is by no means complete. Numerous individuals have been involved in various geologic-related studies of the Hanford Site. The true extent of unpublished data retained in their technical files is unknown. However, this data catalog is believed to represent the majority (>90%) of the geologic data that is currently retrievable.

This report catalogs the existing geologic data that can be found in various databases, published and unpublished reports, and in individuals' technical files. The scope of this catalog is primarily on the 100, 200, and 300 Areas, with a particular emphasis on the 200 Areas. Over 2,922 wells are included in the catalog. Nearly all of these wells (2,459) have some form of driller's or geologist's log. Archived samples are available for 1,742 wells. Particle size data are available from 1,078 wells and moisture data are available from 356 wells. Some form of chemical property data is available from 588 wells. However, this catalog is by no means complete. Numerous individuals have been involved in various geologic-related studies of the Hanford Site. The true extent of unpublished data retained in their technical files is unknown. However, this data catalog is believed to represent the majority (>90%) of the geologic data that is currently retrievable.

Shewanella spp. are a group of facultative anaerobic bacteria widely distributed in marine and fresh-water environments. In this study, we profiled the central metabolic fluxes of eight recently sequenced Shewanella species grown under the same condition in minimal med-ium with [3-13C] lactate. Although the tested Shewanella species had slightly different growth rates (0.23-0.29 h31) and produced different amounts of acetate and pyruvate during early exponential growth (pseudo-steady state), the relative intracellular metabolic flux distributions were remarkably similar. This result indicates that Shewanella species share similar regulation in regard to central carbon metabolic fluxes under steady growth conditions: the maintenance of metabolic robustness is not only evident in a single species under genetic perturbations (Fischer and Sauer, 2005; Nat Genet 37(6):636-640), but also observed through evolutionary related microbial species. This remarkable conservation of relative flux profiles through phylogenetic differences prompts us to introduce the concept of metabotype as an alternative scheme to classify microbial fluxomics. On the other hand, Shewanella spp. display flexibility in the relative flux profiles when switching their metabolism from consuming lactate to consuming pyruvate and acetate.

Magnetic islands in free-boundary stellarator equilibria are suppressed using a procedure that iterates the plasma equilibrium equations and, at each iteration, adjusts the coil geometry to cancel resonant fields produced by the plasma. The coils are constrained to satisfy certain measures of engineering acceptability and the plasma is constrained to ensure kink stability. As the iterations continue, the coil geometry and the plasma simultaneously converge to an equilibrium in which the island content is negligible. The method is applied with success to a candidate plasma and coil design for the National Compact Stellarator eXperiment [Physics of Plasma, 7 (2000) 1911].

MannDB was created to meet a need for rapid, comprehensive automated protein sequence analyses to support selection of proteins suitable as targets for driving the development of reagents for pathogen or protein toxin detection. Because a large number of open-source tools were needed, it was necessary to produce a software system to scale the computations for whole-proteome analysis. Thus, we built a fully automated system for executing software tools and for storage, integration, and display of automated protein sequence analysis and annotation data. MannDB is a relational database that organizes data resulting from fully automated, high-throughput protein-sequence analyses using open-source tools. Types of analyses provided include predictions of cleavage, chemical properties, classification, features, functional assignment, post-translational modifications, motifs, antigenicity, and secondary structure. Proteomes (lists of hypothetical and known proteins) are downloaded and parsed from Genbank and then inserted into MannDB, and annotations from SwissProt are downloaded when identifiers are found in the Genbank entry or when identical sequences are identified. Currently 36 open-source tools are run against MannDB protein sequences either on local systems or by means of batch submission to external servers. In addition, BLAST against protein entries in MvirDB, our database of microbial virulence factors, is performed. A …

Plasmodium falciparum is unable to synthesize purine bases and relies upon purine salvage and purine recycling to meet its purine needs. We report that purines formed as products of the polyamine pathway are recycled in a novel pathway in which 5'-methylthioinosine is generated by adenosine deaminase. The action of P. falciparum purine nucleoside phosphorylase is a convergent step of purine salvage, converting both 5'-methylthioinosine and inosine to hypoxanthine. We used accelerator mass spectrometry to verify that 5'-methylthioinosine is an active nucleic acid precursor in P. falciparum. Prior studies have shown that inhibitors of purine salvage enzymes kill malaria, but potent malaria-specific inhibitors of these enzymes have not previously been described. 5'-methylthio-Immucillin-H, a transition state analogue inhibitor that is selective for malarial over human purine nucleoside phosphorylase, kills P. falciparum in culture. Immucillins are currently in clinical trials for other indications and may have application as antimalarials.

A semi-analytical solution is developed for one-dimensional steady infiltration in unsaturated fractured rock. The differential form of the mass conservation equation is integrated to yield an analytical expression relating elevation to a function of capillary pressure and relative permeability of the fracture and rock matrix. Constitutive relationships for unsaturated flow in this analysis are taken from van Genuchten [1980] and Mualem [1976], but alternative relations can also be implemented in the integral solution. Expressions are presented for the liquid saturations and pore velocities in the fracture, matrix, and effective continuum materials as a function of capillary pressure and elevation. Results of the analytical solution are applied to examples of infiltration in fractured rock consisting of both homogeneous and composite (layered) domains. The analytical results are also compared to numerical simulations to demonstrate the use of the analytical solution as a benchmarking tool to address computational issues such as grid refinement.

This report provides the results of detailed hydrologic characterization tests conducted within newly constructed Hanford Site wells during FY 1999. Detailed characterization tests performed during FY 1999 included: groundwater flow characterization, barometric response evaluation, slug tests, single-well tracer tests, constant-rate pumping tests, and in-well vertical flow tests. Hydraulic property estimates obtained from the detailed hydrologic tests include: transmissivity, hydraulic conductivity, specific yield, effective porosity, in-well lateral flow velocity, aquifer flow velocity, vertical distribution of hydraulic conductivity (within the well-screen section) and in-well vertical flow velocity. In addition, local groundwater flow characteristics (i.e., hydraulic gradient and flow direction) were determined for four sites where detailed well testing was performed.

The IR spectra and normal-mode analysis of the adamantane-like compound [Mn4O6(bpea)4]n+ in two oxidation states, MnIV4 and MnIIIMnIV3, that are relevant to the oxygen-evolving complex of photosystem II are presented. Mn-O vibrational modes are identified with isotopic exchange, 16O->18O, of the mono-(mu)-oxo bridging atoms in the complex. IR spectra of the MnIIIMnIV3 species are obtained by electrochemical reduction of the MnIV4 species using a spectroelectrochemical cell, based on attenuated total reflection [Visser et al. Anal Chem 2001, 73, 4374-4378]. A novel method of subtraction is used to reduce background contributions from solvent and ligand modes, and the difference and double-difference spectra are used in identifying Mn-O bridging modes that are sensitive to oxidation state change. Two strong IR bands are observed for the MnIV4 species at 745 and 707 cm-1 and a weaker band at 510 cm-1. Upon reduction, the MnIIIMnIV3 species exhibits two strong IR bands at 745 and 680 cm-1, and several weaker bands are observed in the 510 - 425 cm-1 range. A normal mode analysis is performed to assign all the relevant bridging modes in the oxidized MnIV4 and reduced MnIIIMnIV3 species. The calculated force constants for the MnIV4 species are = 3.15 mdynAngstrom, = 0.55 …

Although having recently been extremely successful gathering data on the surface of Mars, robotic missions are not an effective substitute for the insight and knowledge about our solar system that can be gained though first-hand exploration. Earlier this year, President Bush presented a ''new course'' for the U.S. space program that shifts NASA's focus to the development of new manned space vehicles to the return of humans to the moon. Re-establishing the human presence on the moon will eventually lead to humans permanently living and working in space and also serve as a possible launch point for missions into deeper space. There are several obstacles to the realization of these goals, most notably the lack of life support and environmental regeneration and monitoring hardware capable of functioning on long duration spaceflight. In the case of the latter, past experience on the International Space Station (ISS), Mir, and the Space Shuttle has strongly underscored the need to develop broad spectrum in-flight chemical sensors that: (1) meet current environmental monitoring requirements on ISS as well as projected requirements for future missions, and (2) enable the in-situ acquisition and analysis of analytical data in order to further define on-orbit monitoring requirements. Additionally, systems …

Control Banding (CB) strategies offer simplified solutions for controlling worker exposures to constituents often encountered in the workplace. The original CB model was developed within the pharmaceutical industry; however, the modern movement involves models developed for non-experts to input hazard and exposure potential information for bulk chemical processes, receiving control advice as a result. The CB approach utilizes these models for the dissemination of qualitative and semi-quantitative risk assessment tools being developed to complement the traditional industrial hygiene model of air sampling and analysis. It is being applied and tested in small and medium size enterprises (SMEs) within developed countries and industrially developing countries; however, large enterprises (LEs) have also incorporated these strategies within chemical safety programs. Existing research of the components of the most available CB model, the Control of Substances Hazardous to Health (COSHH) Essentials, has shown that exposure bands do not always provide adequate margins of safety, that there is a high rate of under-control errors, that it works better with dusts than with vapors, that there is an inherent inaccuracy in estimating variability, and that when taken together the outcomes of this model may lead to potentially inappropriate workplace confidence in chemical exposure reduction in some …

These proceedings contain papers prepared for the 28th Seismic Research Review: Ground-Based Nuclear Explosion Monitoring Technologies, held 19-21 September, 2006 in Orlando, Florida. These papers represent the combined research related to ground-based nuclear explosion monitoring funded by the National Nuclear Security Administration (NNSA), Air Force Technical Applications Center (AFTAC), Air Force Research Laboratory (AFRL), US Army Space and Missile Defense Command, Comprehensive Nuclear-Test-Ban Treaty Organization (CTBTO), and other invited sponsors. The scientific objectives of the research are to improve the United States capability to detect, locate, and identify nuclear explosions. The purpose of the meeting is to provide the sponsoring agencies, as well as potential users, an opportunity to review research accomplished during the preceding year and to discuss areas of investigation for the coming year. For the researchers, it provides a forum for the exchange of scientific information toward achieving program goals, and an opportunity to discuss results and future plans. Paper topics include: seismic regionalization and calibration; detection and location of sources; wave propagation from source to receiver; the nature of seismic sources, including mining practices; hydroacoustic, infrasound, and radionuclide methods; on-site inspection; and data processing.