The application of electrospray-ionization mass spectrometry (ESI-MS) to trace-fiber color analysis is explored using acidic dyes commonly employed to color nylon-based fibers, as well as extracts from dyed nylon fibers. Qualitative information about constituent dyes and quantitative information about the relative amounts of those dyes present on a single fiber become readily available using this technique. Sample requirements for establishing the color-identity of different samples (i.e., comparative trace-fiber analysis) are shown to be sub-millimeter. Absolute verification of dye-mixture identity (beyond the comparison of molecular weights derived from ESI-MS) can be obtained by expanding the technique to include tandem mass spectrometry (ESI-MS/MS). For dyes of unknown origin, the ESI-MS/MS analyses may offer insights into the chemical structure of the compound--information not available from chromatographic techniques alone. This research demonstrates that ESI-MS is viable as a sensitive technique for distinguishing dye constituents extracted from a minute amount of trace fiber evidence. A protocol is suggested to establish/refute the proposition that two fibers--one of which is available in minute quantity only--are of the same origin.

This Geotechnical Analysis Report (GAR) presents and interprets the geotechnical data from the underground excavations at the Waste Isolation Pilot Plant (WIPP). The data, which are obtained as part of a regular monitoring program, are used to characterize conditions, to compare actual performance to the design assumptions, and to evaluate and forecast the performance of the underground excavations during operations. GARs have been available to the public since 1983. During the Site and Preliminary Design Validation (SPDV) Program, the architect/engineer for the project produced these reports on a quarterly basis to document the geomechanical performance during and immediately after excavation of the underground facility. Since the completion of the construction phase of the project in 1987, the management and operating contractor for the facility has prepared these reports annually. This report describes the performance and condition of selected areas from July 1, 2000, to June 30, 2001. It is divided into ten chapters. The remainder of Chapter 1 provides background information on WIPP, its mission, and the purpose and scope of the geomechanical monitoring program. Chapter 2 describes the local and regional geology of the WIPP site. Chapters 3 and 4 describe the geomechanical instrumentation located in the shafts and …

One of the current priorities within the Department of Energy (DOE) complex is the stabilization, packaging and storage of plutonium-bearing materials. The packaging is key to the safe long-term handling and storage of these materials. Packaging consists of placing the stabilized materials into a set of two nested stainless steel containers. Each container is seal-welded, providing double containment of the plutonium materials. The outer container is designated as the primary barrier to the release of the materials to the environment. An initial, full scope diagnostic analysis of the equipment, welding materials / consumables and process conditions identified the primary cause of the porosity to be related to geometry at the root of the weld joint preparation. A volume of gas is trapped between the advancing weld puddle and the start of the weld, at weld tie-in, and incorporated into the weld during puddle solidification. Figure 5 illustrates the basic geometric conditions contributing to the porosity. This paper describes the efforts to analyze and understand / quantify the interaction between the weld-joint geometry and formation of porosity.

The objective of this project is two-fold. It will demonstrate use of nitrogen as a widely available, cost-effective and environmentally superior injectant for miscible floods. It will also demonstrate the effectiveness of horizontal wellbores in reducing gas breakthrough and cycling. It is expected that the demonstration will lead to implementation of nitrogen injection projects in areas without readily available carbon dioxide sources. Technology transfer will occur throughout the project.

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On August 6-7, 2002, a Technical Assistance Team (''Team'') from the U.S. Department of Energy (DOE) Subsurface Contaminants Focus Area (SCFA) met with Fernald Environmental Management Project (FEMP) personnel in Ohio to assess approaches to remediating uranium-contaminated leachate from the On-Site Disposal Facility (OSDF). The Team was composed of technical experts from national labs, technology centers, and industry and was assembled in response to a request from the FEMP Aquifer Restoration Project. Dave Brettschneider of Fluor Fernald, Inc., requested that a Team of experts be convened to review technologies for the removal of uranium in both brine ion exchange regeneration solution from the Advanced Wastewater Treatment facility and in the leachate from the OSDF. The Team was asked to identify one or more technologies for bench-scale testing as a cost effective alternative to remove uranium so that the brine regeneration solution from the Advanced Waste Water Treatment facility and the leachate from the OSDF can be discharged without further treatment. The Team was also requested to prepare a recommended development and demonstration plan for the alternative technologies. Finally, the Team was asked to make recommendations on the optimal technical solution for field implementation. The Site's expected outcomes for this effort …

The transformation of gibbsite to boehmite in strongly caustic solutions was studied using quantitative X-ray diffraction, Fourier transform infrared spectroscopy, and transmission electron microscopy techniques. Under hydrothermal conditions we identified two transformation mechanisms; dehydration and in-situ nucleation and dissolution and nucleation. If the reaction container was not completely sealed, dehydration of gibbsite followed by in-situ nucleation of boehmite was the preferred mechanism. Boehmite produced fibrous boehmite particles within the amorphous matrix of the decomposed gibbsite particles, which exhibited a poorly crystalline structure and smaller size than the initial gibbsite particles. In a closed environment, the preferred mechanism was the dissolution of gibbsite along (001) planes. The final boehmite particles were not morphologically related to the initial gibbsite particles and could be many times larger than the gibbsite particles.

This is the eighth Quarterly Technical Report for DOE Cooperative Agreement No. DE-FC26-00NT40895. A statement of the project objectives is included in the Introduction of this report. The final biomass co-firing test burn was conducted during this quarter. In this test (Test 14), up to 20% by weight dry switchgrass was comilled with Jim Walters No.7 mine coal and injected through the single-register burner. Jim Walters No.7 coal is a low-volatility, low-sulfur ({approx}0.7% S) Eastern bituminous coal. The results of this test are presented in this quarterly report. Progress has continued to be made in implementing a modeling approach to combine reaction times and temperature distributions from computational fluid dynamic models of the pilot-scale combustion furnace with char burnout and chemical reaction kinetics to predict NO{sub x} emissions and unburned carbon levels in the furnace exhaust. The REI Configurable Fireside Simulator (CFS) is now in regular use. Presently, the CFS is being used to generate CFD calculations for completed tests with Powder River Basin coal and low-volatility (Jim Walters No.7 Mine) coal. Niksa Energy Associates will use the results of these CFD simulations to complete their validation of the NOx/LOI predictive model. Work has started on the project final report.

In support of DOE's use of SGML, XML, HTML, and related standards, I have served since 1985 as Chairman of the international committee responsible for SGML and related standards, ISO/IEC JTC1/SC34 (SC34) and its predecessor organizations. During my August 2002 trip, I attended the summer 2002 meeting of SC34/WG3 in Montreal, Canada. I also read a paper at Extreme Markup Languages 2002, a major conference on the use of SGML and XML sponsored by IDEAlliance. Supporting standards development allows the Department of Energy/National Nuclear Security Administration (DOE/NNSA) and the Y-12 National Security Complex (Y-12) the opportunity both to provide input into the process and to benefit from contact with some of the leading experts in the subject matter. Oak Ridge has been for some years the location to which other DOE sites turn for expertise in SGML, XML, and related topics.

The purpose of this investigation was to determine whether nitrated organic compounds could be formed during operation of the Caustic-Side Solvent Extraction (CSSX) process, and whether such compounds would present a safety concern. The CSSX process was developed to remove cesium from alkaline high-level salt waste stored at the US Department of Energy Savannah River Site (SRS). The solvent is composed of the cesium extractant calix[4]arene-bis-(4-tert-octylbenzo-crown-6) (BOBCalixC6), a fluorinated alcohol phase modifier, tri-n-octylamine (TOA), and an isoparaffinic diluent (Iospar{reg_sign}). During the CSSX process, the solvent is expected to be exposed to high concentrations of nitrate and nitrite dissolved in the alkaline waste feed. The solvent will also be exposed to dilute (50 mM) nitric acid solutions containing low concentrations of nitrite during scrubbing, followed by stripping with 1 mM nitric acid. The solvent is expected to last for one year of plant operation, and the temperatures the solvent may experience during the process could range from as low as 15 C to as high as 35 C. Excursions from standard process conditions could result in the solvent experiencing higher temperatures, as well as concentrations of nitrate, nitrite, and most importantly nitric acid, that exceed normal operating conditions. Accordingly, conditions may …

During the closeout session, members of the technical assistance team conveyed to the site how impressed they were at the thoroughness of the site's investigation and attempts at remediation. Team members were uniformly pleased at the skilled detection work to identify sources, make quick remediation decisions, and change course when a strategy did not work well. The technical assistance team also noted that, to their knowledge, this is the only DOE site at which a world-class scientist has had primary responsibility for the environmental restoration activities. This has undoubtedly contributed to the successes observed and DOE should take careful note. The following overall recommendations were agreed upon: (1) The site has done a phenomenal job of characterization and identifying and removing source terms. (2) Technologies selected to date are appropriate and high impact, e.g. collection trenches are an effective remedial strategy for this complicated geology. The site should continue using technology that is adapted to the site's unique geology, such as the collection trenches. (3) The site should develop a better way to determine the basis of cleanup for all sites. (4) The sentinel well system should be evaluated and modified, if needed, to assure that the sentinel wells provide …

This is the final technical report for the project titled ''Synthesis and optimization of integrated chemical processes''. Progress is reported on novel algorithms for the computation of all heteroazeotropic compositions present in complex liquid mixtures; the design of novel flexible azeotropic separation processes using middle vessel batch distillation columns; and theory and algorithms for sensitivity analysis and numerical optimization of hybrid discrete/continuous dynamic systems.

OAK B204 The objective of this project is to demonstrate the feasibility and effectiveness of using full-scale virtual reality simulation in the design, construction, and maintenance of future nuclear power plants. Specifically, this project will test the suitability of Immersive Projection Display (IPD) technology to aid engineers in the design of the next generation nuclear power plant and to evaluate potential cost reductions that can be realized by optimization of installation and construction sequences. The intent is to see if this type of information technology can be used in capacities similar to those currently filled by full-scale physical mockups.

Controlling the density and pressure of the background gas in the beam lines of thick-liquid heavy-ion fusion chambers is of paramount importance for the beams to focus and propagate properly. Additionally, transport and deposition of debris material onto metal beam-tube surfaces may reduce the breakdown voltage and permit arcing with the beam. The strategy to control the gas pressure and the rate of debris deposition is twofold. First, the cool thick-liquid jet structures will mitigate the venting to the beam tubes. The ablation and venting of debris through thick-liquid structures must be modeled to predict the quantities of debris reaching the beam ports. TSUNAMI calculations have been performed to estimate the mass and energy flux histories at the entrance of the beam ports in a 9x9 HYLIFE pocket geometry. Secondly, additional renewable shielding will be interposed in the beam tubes themselves. Thick-liquid vortexes are planned to coat the inside of the beam tubes and provide a quasi-continuous protection of the beam-tube walls up to the final focus magnets. A three-component molten salt, flinabe, with a low melting temperature and vapor pressure, has been identified as a candidate liquid for the vortexes. The use of flinabe may actually eliminate the necessity …

The massively parallel computer QCDOC (QCD On a Chip) of the RIKEN BNL Research Center (RI3RC) will provide ten-teraflop peak performance for lattice gauge calculations. Lattice groups from both Columbia University and RBRC, along with assistance from IBM, jointly handled the design of the QCDOC. RIKEN has provided $5 million in funding to complete the machine in 2003. Some fraction of this computer (perhaps as much as 10%) might be made available for large-scale computations in areas of theoretical nuclear physics other than lattice gauge theory. The purpose of this workshop was to investigate the feasibility and possibility of using a supercomputer such as the QCDOC for lattice, general nuclear theory, and other calculations. The lattice applications to nuclear physics that can be investigated with the QCDOC are varied: for example, the light hadron spectrum, finite temperature QCD, and kaon ({Delta}I = 1/2 and CP violation), and nucleon (the structure of the proton) matrix elements, to name a few. There are also other topics in theoretical nuclear physics that are currently limited by computer resources. Among these are ab initio calculations of nuclear structure for light nuclei (e.g. up to {approx}A = 8 nuclei), nuclear shell model calculations, nuclear hydrodynamics, …

Because of the possibility of an enriched uranium spill in transit, a program has been initiated to develop safer methods of shipment. This report compares uranium on resin with conversion to unpurified UO3, and provides information needed to judge the relative merits of the processes to produce these two solid forms.

In this work, solvent recovery from aqueous CSSX process raffinate effluent was tested using the process diluent (Isopar{reg_sign}L). A model was developed to obtain stage efficiency for the diluent contact stages. The model was used to fit experimental data from a 19.8-hr solvent recovery test. Diluent-in-aqueous entrainment was measured during the test. Vacuum distillation was used to concentrate the solvent components, BOBCalixC6 and modifier, in the diluent used in solvent recovery. Using the results, a feasibility study was performed to compare the annual cost of lost solvent under each of four solvent recovery options. These options were decanter tank, centrifuge, two-stage diluent contact using centrifugal contactor, and no solvent recovery action.

The sensitivity of the release of radionuclides from the engineered barrier system in the proposed Yucca Mountain Repository to the solubility of uranium is investigated. Factors ranging from 0.1 up to 100 were applied to the nominal uranium solubility assumed in one of the TSPA models used in support of the site recommendation for the repository. At times earlier than about 50,000 years, the release rate of uranium is proportional to the change in the solubility. By 100,000 years, the proportionality continues to hold when the solubility is reduced, but when the solubility is increased, the release rate changes by a factor less than the factor applied to the solubility. At times beyond about 300,000 years, when the solubility is varied from 0.1 to 100 times its nominal value, the release rate changes by less than a factor of 20. Over the same range of changes in the uranium solubility, changes in the release rates of uranium decay products are less than a factor of three. Because uranium and its decay products make relatively small contributions to the dose rate, the changes in the dose rate at a well located 20 km from the repository are estimated to be less …

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The Idaho Nuclear Technology and Engineering Center (INTEC) is considering vitrification to process liquid sodium-bearing waste. Preliminary studies were completed to evaluate the potential secondary wastes from the melter off-gas clean up systems. Projected secondary wastes comprise acidic and caustic scrubber solutions, HEPA filters, activated carbon, and ion exchange media. Possible treatment methods, waste forms, and disposal sites are evaluated from radiological and mercury contamination estimates.

Presented in this paper is the transient analysis of a Group Distribution Header (GDH) following a guillotine break at the end of the header. The GDH is the most important component of reactor safety in case of accidents. Emergency Core Cooling System (ECCS) piping is connected to the GDH piping such that, during an accident, coolant passes from the GDH into the ECCS. The GDH that is propelled into motion after a guillotine break can impact neighboring GDH pipes or the nearest wall of the compartment. Therefore, two cases are investigated: GDH impact on an adjacent GDH and its attached piping; and GDH impact on an adjacent reinforced concrete wall. A whipping RBMK-1500 GDH along with neighboring concrete walls and pipelines is modeled using finite elements. The finite element code NEPTUNE used in this study enables a dynamic pipe whip structural analysis that accommodates large displacements and nonlinear material characteristics. The results of the study indicate that a whipping GDH pipe would not significantly damage adjacent walls or piping and would not result in a propagation of pipe failures.

Natural gas transmission companies mark the right-of-way areas where pipelines are buried with warning signs to prevent accidental third-party damage. Nevertheless, pipelines are sometimes damaged by third-party construction equipment. A single incident can be devastating, causing death and millions of dollars of property loss. This damage would be prevented if potentially hazardous construction equipment could be detected, identified, and an alert given before the pipeline was damaged. The Gas Technology Institute (GTI) is developing a system to solve this problem by using an optical fiber as a distributed sensor and interrogating the fiber with an optical time domain reflectometer. Key issues are the ability to detect encroachment and the ability to discriminate among potentially hazardous and benign encroachments. The work performed in the second quarter of the project includes design of the instrument, selection of the key components, and beginning programming of the custom optical time domain reflectometer. Work included an assessment of two other approaches to measuring strain and vibrations in an extended optical fiber sensor.

The High Current Experiment (HCX) is being assembled at Lawrence Berkeley National Laboratory as part of the US program to explore heavy-ion beam transport at a scale representative of the low-energy end of an induction linac driver for fusion energy production. The primary mission of this experiment is to investigate aperture fill factors acceptable for the transport of space-charge dominated heavy-ion beams at high spacecharge intensity (line-charge density {approx} 0.2 {micro}C/m) over long pulse durations (>4 {micro}s). This machine will test transport issues at a driver-relevant scale resulting from nonlinear space-charge effects and collective modes, beam centroid alignment and beam steering, matching, image charges, halo, lost-particle induced electron effects, and longitudinal bunch control. We present the first experimental results carried out with the coasting K{sup +} ion beam transported through the first 10 electrostatic transport quadrupoles and associated diagnostics. Later phases of the experiment will include more electrostatic lattice periods to allow more sensitive tests of emittance growth, and also magnetic quadrupoles to explore similar issues in magnetic channels with a full driver scale beam.

Experiments on direct-contact heat exchange between molten metal and water for steam production were conducted. These experiments involved the injection of water into molten lead-bismuth eutectic for heat transfer measurements in a 1-D geometry. Based on the initial results of the experiments, the effects of the water flow rate and the molten metal superheat (temperature difference between molten metal and saturated water) on the volumetric heat transfer coefficient were discussed.