This report using the detailed ATR quarter core model calculated neutronic tallies, the MCWO-calculated Zr-cladding fast neutron fluence (E > 0.1 MeV and E > 1.0 MeV) distributions at the end of Phase-I, -II, -III, and -IV Irradiation are tabulated in Table 1, 2, 3, and 4. At the end of the Phase-I irradiation, the MCWO-calculated Zr-cladding fast neutron fluences of the removed MOX capsules 1 and 8 are 2.68 and 2.68 x 1020 n/cm2, respectively. At the end of Phase-II Irradiation are tabulated in Table 2. At the end of the Phase-II irradiation, the MCWO-calculated Zr-cladding fast neutron fluences of the removed MOX capsules 9 and 2 are 6.78 and 6.79 x 1020 n/cm2, respectively. At the end of the Phase-III irradiation, the MCWO-calculated Zr-cladding fast neutron fluences of the removed MOX capsules 10 and 3 are 9.82 and 9.70 x 1020 n/cm2, respectively. And, at the end of the Phase-IV part 1B irradiation, the MCWO-calculated Zr-cladding fast neutron fluences of the removed MOX capsules 4 and 13 are 1.41 and 1.39 x 1021 n/cm2, respectively.

The goal of this Laboratory Directed Research & Development (LDRD) effort was to design, synthesize, and evaluate organic-inorganic nanocomposite membranes for solubility-based separations, such as the removal of higher hydrocarbons from air streams, using experiment and theory. We synthesized membranes by depositing alkylchlorosilanes on the nanoporous surfaces of alumina substrates, using techniques from the self-assembled monolayer literature to control the microstructure. We measured the permeability of these membranes to different gas species, in order to evaluate their performance in solubility-based separations. Membrane design goals were met by manipulating the pore size, alkyl group size, and alkyl surface density. We employed molecular dynamics simulation to gain further understanding of the relationship between membrane microstructure and separation performance.

The ASCI Grid Services (initially called Distributed Resource Management) project was started under DisCom{sup 2} when distant and distributed computing was identified as a technology critical to the success of the ASCI Program. The goals of the Grid Services project has and continues to be to provide easy, consistent access to all the ASCI hardware and software resources across the nuclear weapons complex using computational grid technologies, increase the usability of ASCI hardware and software resources by providing interfaces for resource monitoring, job submission, job monitoring, and job control, and enable the effective use of high-end computing capability through complex-wide resource scheduling and brokering. In order to increase acceptance of the new technology, the goal included providing these services in both the unclassified as well as the classified user's environment. This paper summarizes the many accomplishments and lessons learned over approximately five years of the ASCI Grid Services Project. It also provides suggestions on how to renew/restart the effort for grid services capability when the situation is right for that need.

Optimal partitioning of structured adaptive mesh applications necessitates dynamically determining and optimizing for the most time-inhibiting factor, such as data migration and communication volume. However, a trivial monitoring of an application evaluates the current partitioning rather than the inherent properties of the grid hierarchy. We present a model that given a structured adaptive grid, determines ab initio to what extent the partitioner should focus on reducing the amount of data migration to reduce execution time. This model contributes to the meta-partitioner, our ultimate aim of being able to select and configure the optimal partitioner based on the dynamic properties of the grid hierarchy and the computer. We validate the predictions of this model by comparing them with actual measurements (via traces) from four different adaptive simulations. The results show that the proposed model generally captures the inherent optimization-need in SAMR applications. We conclude that our model is a useful contribution, since tracking and adapting to the dynamic behavior of such applications lead to potentially large decreases in execution times.

This paper provides a preliminary assessment of two possible versions of the Next Generation Nuclear Plant (NGNP), a prismatic fuel type helium gas-cooled reactor and a pebblebed fuel helium gas reactor. Both designs will meet the three basic requirements that have been set for the NGNP: a coolant outlet temperature of 1000 C, passive safety, and a total power output consistent with that expected for commercial high-temperature gas-cooled reactors.

Thermionic energy conversion in a miniature format shows potential as a viable, high efficiency, micro to macro-scale power source. A microminiature thermionic converter (MTC) with inter-electrode spacings on the order of microns has been prototyped and evaluated at Sandia. The remaining enabling technology is the development of low work function materials and processes that can be integrated into these converters to increase power production at modest temperatures (800 - 1300 K). The electrode materials are not well understood and the electrode thermionic properties are highly sensitive to manufacturing processes. Advanced theoretical, modeling, and fabrication capabilities are required to achieve optimum performance for MTC diodes. This report describes the modeling and fabrication efforts performed to develop micro dispenser cathodes for use in the MTC.

This paper describes the development of a pulsed hydraulic system, specifically designed to unblock plugged piping. It uses the differences between the resonant vibrations of the fluid column and pipe walls to separate the blockage from the pipe wall, break it up, and clear the line. Using resonant frequencies, the system can stay below the design pressure of the system, preventing pipe failures from occurring, which is a major concern with DOE radioactive waste transfer lines.

A survey has been carried out to quantify the performance and life of over 700,000 valve-regulated lead-acid (VRLA) cells, which have been or are being used in stationary applications across the United States. The findings derived from this study have not identified any fundamental flaws of VRLA battery technology. There is evidence that some cell designs are more successful in float duty than others. A significant number of the VRLA cells covered by the survey were found to have provided satisfactory performance.

The ASCI supercomputing program is broadly defined as running physics simulations on progressively more powerful digital computers. What happens if we extrapolate the computer technology to its end? We have developed a model for key ASCI computations running on a hypothetical computer whose technology is parameterized in ways that account for advancing technology. This model includes technology information such as Moore's Law for transistor scaling and developments in cooling technology. The model also includes limits imposed by laws of physics, such as thermodynamic limits on power dissipation, limits on cooling, and the limitation of signal propagation velocity to the speed of light. We apply this model and show that ASCI computations will advance smoothly for another 10-20 years to an 'end game' defined by thermodynamic limits and the speed of light. Performance levels at the end game will vary greatly by specific problem, but will be in the Exaflops to Zetaflops range for currently anticipated problems. We have also found an architecture that would be within a constant factor of giving optimal performance at the end game. This architecture is an evolutionary derivative of the mesh-connected microprocessor (such as ASCI Red Storm or IBM Blue Gene/L). We provide designs for …

Microelectromechanical systems (MEMS) comprise a new class of devices that include various forms of sensors and actuators. Recent studies have shown that microscale cantilever structures are able to detect a wide range of chemicals, biomolecules or even single bacterial cells. In this approach, cantilever deflection replaces optical fluorescence detection thereby eliminating complex chemical tagging steps that are difficult to achieve with chip-based architectures. A key challenge to utilizing this new detection scheme is the incorporation of functionalized MEMS structures within complex microfluidic channel architectures. The ability to accomplish this integration is currently limited by the processing approaches used to seal lids on pre-etched microfluidic channels. This report describes Sandia's first construction of MEMS instrumented microfluidic chips, which were fabricated by combining our leading capabilities in MEMS processing with our low-temperature photolithographic method for fabricating microfluidic channels. We have explored in-situ cantilevers and other similar passive MEMS devices as a new approach to directly sense fluid transport, and have successfully monitored local flow rates and viscosities within microfluidic channels. Actuated MEMS structures have also been incorporated into microfluidic channels, and the electrical requirements for actuation in liquids have been quantified with an elegant theory. Electrostatic actuation in water has been accomplished, …

A significant barrier to the deployment of distributed energy resources (DER) onto the power grid is uncertainty on the part of utility engineers regarding impacts of DER on their distribution systems. Because of the many possible combinations of DER and local power system characteristics, these impacts can most effectively be studied by computer simulation. The goal of this LDRD project was to develop and experimentally validate models of transient and steady state source behavior for incorporation into utility distribution analysis tools. Development of these models had not been prioritized either by the distributed-generation industry or by the inverter industry. A functioning model of a selected inverter-based DER was developed in collaboration with both the manufacturer and industrial power systems analysts. The model was written in the PSCAD simulation language, a variant of the ElectroMagnetic Transients Program (EMTP), a code that is widely used and accepted by utilities. A stakeholder team was formed and a methodology was established to address the problem. A list of detailed DER/utility interaction concerns was developed and prioritized. The list indicated that the scope of the problem significantly exceeded resources available for this LDRD project. As this work progresses under separate funding, the model will be …

Wastes buried at the Subsurface Disposal Area (SDA) of the Idaho National Engineering and Environmental Laboratory include activated metals that release radioactive carbon-14 (14C) as they corrode. To better understand 14C phase partitioning and transport in the SDA sediments, we conducted a series of transport experiments using 14C (radio-labeled sodium carbonate) and nonreactive gas (sulfur hexafluoride) and aqueous (bromide and tritiated water) tracers in a large (2.6-m high by 0.9-m diameter) column of sediments similar to those used as cover material at the SDA. We established steady-state unsaturated flow prior to injecting tracers into the column. Tracer migration was monitored using pore-water and pore-gas samples taken from co-located suction lysimeters and gas ports inserted at ~0.3-m intervals along the column’s length. Measurements of 14C discharged from the sediment to the atmosphere (i.e., 14CO2 flux) indicate a positive correlation between CO2 partial pressure (pCO2) in the column and changes in 14CO2 flux. Though 14CO2 diffusion is expected to be independent of pCO2, changes of pCO2 affect pore water chemistry sufficiently to affect aqueous/gas phase 14C partitioning and consequently 14C2 flux. Pore-water and -gas 14C activity measurements provide an average aqueous/gas partitioning ratio, Kag, of 4.5 (±0.3). This value is consistent with …

The lead probe neutron detector was originally designed by Spencer and Jacobs in 1965. The detector is based on lead activation due to the following neutron scattering reactions: {sup 207}Pb(n, n'){sup 207m}Pb and {sup 208}Pb(n, 2n){sup 207m}Pb. Delayed gammas from the metastable state of {sup 207m}Pb are counted using a plastic scintillator. The half-life of {sup 207m}Pb is 0.8 seconds. In the work reported here, MCNP was used to optimize the efficiency of the lead probe by suitably modifying the original geometry. A prototype detector was then built and tested. A 'layer cake' design was investigated in which thin (< 5 mm) layers of lead were sandwiched between thicker ({approx} 1 - 2 cm) layers of scintillator. An optimized 'layer cake' design had Figures of Merit (derived from the code) which were a factor of 3 greater than the original lead probe for DD neutrons, and a factor of 4 greater for DT neutrons, while containing 30% less lead. A smaller scale, 'proof of principle' prototype was built by Bechtel/Nevada to verify the code results. Its response to DD neutrons was measured using the DD dense plasma focus at Texas A&M and it conformed to the predicted performance. A voltage …

Li-ion cells are being developed for high-power applications in hybrid electric vehicles currently being designed for the FreedomCAR (Freedom Cooperative Automotive Research) program. These cells offer superior performance in terms of power and energy density over current cell chemistries. Cells using this chemistry are the basis of battery systems for both gasoline and fuel cell based hybrids. However, the safety of these cells needs to be understood and improved for eventual widespread commercial application in hybrid electric vehicles. The thermal behavior of commercial and prototype cells has been measured under varying conditions of cell composition, age and state-of-charge (SOC). The thermal runaway behavior of full cells has been measured along with the thermal properties of the cell components. We have also measured gas generation and gas composition over the temperature range corresponding to the thermal runaway regime. These studies have allowed characterization of cell thermal abuse tolerance and an understanding of the mechanisms that result in cell thermal runaway.

The injection of sorbents upstream of a particulate control device is one of the most promising methods for controlling mercury emissions from coal-fired utility boilers with electrostatic precipitators and fabric filters. Studies carried out at the bench-, pilot-, and full-scale have shown that a wide variety of factors may influence sorbent mercury removal effectiveness. These factors include mercury species, flue gas composition, process conditions, existing pollution control equipment design, and sorbent characteristics. The objective of the program is to obtain the necessary information to assess the viability of lower cost alternatives to commercially available activated carbon for mercury control in coal-fired utilities. Prior to injection testing, a number of sorbents were tested in a slipstream fixed-bed device both in the laboratory and at two field sites. Based upon the performance of the sorbents in a fixed-bed device and the estimated cost of mercury control using each sorbent, seventeen sorbents were chosen for screening in a slipstream injection system at a site burning a Western bituminous coal/petcoke blend, five were chosen for screening at a site burning a subbituminous Powder River Basin (PRB) coal, and nineteen sorbents were evaluated at a third site burning a PRB coal. Sorbents evaluated during the …

This report describes the Characterization of Peeling-Ballooning Stability Limits on the Pedestal.

The purpose of this work is to characterize groundwater flow and contaminant transport at the Shoal underground nuclear test through numerical modeling using site-specific hydrologic data. The ultimate objective is the development of a contaminant boundary, a model-predicted perimeter defining the extent of radionuclide-contaminated groundwater from the underground test throughout 1,000 years at a prescribed level of confidence. This boundary will be developed using the numerical models described here, after they are approved for that purpose by DOE and NDEP.

The objective of the project is to apply a unique ice thermal storage (ITS) technology to cooling the intake air to gas turbines used for power generation. In Phase I, the work includes theoretical analysis, computer simulation, engineering design and cost evaluation of this novel ITS technology. The study includes two typical gas turbines (an industrial and an aeroderivative type gas turbine) operated at two different geographic locations: Phoenix, AZ and Houston, TX. Simulation runs are performed to generate data for both power output (KW) and heat rate (Btu/KWh) as well as water recovery (acre ft/yr) in terms of intake air temperature and humidity based on weather data and turbine performance curves. Preliminary engineering design of a typical equipment arrangement for turbine inlet air-cooling operation using the ITS system is presented. A cost analysis has been performed to demonstrate the market viability of the ITS technology. When the ITS technology is applied to gas turbines, a net power gain up to 40% and a heat rate reduction as much as 7% can be achieved. In addition, a significant amount of water can be recovered (up to 200 acre-ft of water per year for a 50 MW turbine). The total cost …

Cumulative global wind energy generating capacity topped 39,000 megawatts (MW) by the end of 2003. New equipment totally over 8,000 MW in capacity was installed worldwide during the year. The report, updated annually, provides information on the status of the wind energy market throughout the world and gives details on various regions. A listing of new and cumulative installed capacity by country and by region is included as an appendix.

Excimer laser fragmentation fluorescence spectroscopy (ELFFS) is used to monitor lead in soil sample and investigate laser-solid interactions. Pure lead nitrate salt and soil doped with lead nitrate are photolyzed with 193 nm light from an ArF excimer at fluences from 0.4 to 4 J/cm{sup 2}. Lead emission is observed at 357.2, 364.0, 368.3, 373.9 and 405.8 nm. Time-resolved data show the decay time of the lead emission at 405.8 nm grows with increasing fluence, and a plasma is formed above fluences of 2 J/cm{sup 2}, where a strong continuum emission interferes with the analyte signal. Fluences below this threshold allow us to achieve a detection limit of approximately 200 ppm in soil.

Semi-dense phase pneumatic delivery and injection of calcium and sodium sorbents, and microfine powdered coal, at various sidewall elevations of an online operating coal-fired power plant, was investigated for the express purpose of developing an in-furnace, economic multi-pollutant reduction methodology for NO{sub x}, SO{sub 2} & Hg. The 154 MWe tangentially-fired furnace that was selected for a full-scale demonstration, was recently retrofitted for NO{sub x} reduction with a high velocity rotating-opposed over-fire air system. The ROFA system, a Mobotec USA technology, has a proven track record of breaking up laminar flow along furnace walls, thereby enhancing the mix of all constituents of combustion. The knowledge gained from injecting sorbents and micronized coal into well mixed combustion gases with significant improvement in particulate retention time, should serve well the goals of an in-furnace multi-pollutant reduction technology; that of reducing back-end cleanup costs on a wide variety of pollutants, on a cost per ton basis, by first accomplishing significant in-furnace reductions of all pollutants.

Natural-gas hydrates have been encountered beneath the permafrost and considered a nuisance by the oil and gas industry for years. Engineers working in Russia, Canada and the USA have documented numerous drilling problems, including kicks and uncontrolled gas releases, in arctic regions. Information has been generated in laboratory studies pertaining to the extent, volume, chemistry and phase behavior of gas hydrates. Scientists studying hydrate potential agree that the potential is great--on the North Slope of Alaska alone, it has been estimated at 590 TCF. However, little information has been obtained on physical samples taken from actual rock containing hydrates. This gas-hydrate project is in the second year of a three-year endeavor being sponsored by Maurer Technology, Noble, and Anadarko Petroleum, in partnership with the DOE. The purpose of the project is to build on previous and ongoing R&D in the area of onshore hydrate deposition. We plan to identify, quantify and predict production potential for hydrates located on the North Slope of Alaska. We also plan to design and implement a program to safely and economically drill, core and produce gas from arctic hydrates. The current work scope is to drill and core a well on Anadarko leases in FY …

Recently the collider physics community has seen significant advances in the formalisms and implementations of event generators. This review is a primer of the methods commonly used for the simulation of high energy physics events at particle colliders. We provide brief descriptions, references, and links to the specific computer codes which implement the methods. The aim is to provide an overview of the available tools, allowing the reader to ascertain which tool is best for a particular application, but also making clear the limitations of each tool.

The Energy & Environmental Research Center (EERC) is conducting a consortium-based effort directed toward resolving the mercury (Hg) control issues facing the lignite industry. Specifically, the EERC team--the EERC, EPRI, URS, ADA-ES, Babcock & Wilcox, the North Dakota Industrial Commission, SaskPower, and the Mercury Task Force, which includes Basin Electric Power Cooperative, Otter Tail Power Company, Great River Energy, Texas Utilities (TXU), Montana-Dakota Utilities Co., Minnkota Power Cooperative, BNI Coal Ltd., Dakota Westmoreland Corporation, and the North American Coal Company--has undertaken a project to significantly and cost-effectively oxidize elemental mercury in lignite combustion gases, followed by capture in a wet scrubber. This approach will be applicable to virtually every lignite utility in the United States and Canada and potentially impact subbituminous utilities. The oxidation process is proven at the pilot-scale and in short-term full-scale tests. Additional optimization is continuing on oxidation technologies, and this project focuses on longer-term full-scale testing. The lignite industry has been proactive in advancing the understanding of and identifying control options for Hg in lignite combustion flue gases. Approximately 1 year ago, the EERC and EPRI began a series of Hg-related discussions with the Mercury Task Force as well as utilities firing Texas and Saskatchewan lignites. …