Yucca Mountain (YM), Nevada, has been proposed by the U.S. Department of Energy as the nation’s first permanent geologic repository for spent nuclear fuel and highlevel radioactive waste. In this study, the potential for groundwater advective pathways from underground nuclear testing areas on the Nevada Test Site (NTS) to intercept the subsurface of the proposed land withdrawal area for the repository is investigated. The timeframe for advective travel and its uncertainty for possible radionuclide movement along these flow pathways is estimated as a result of effective-porosity value uncertainty for the hydrogeologic units (HGUs) along the flow paths. Furthermore, sensitivity analysis is conducted to determine the most influential HGUs on the advective radionuclide travel times from the NTS to the YM area. Groundwater pathways are obtained using the particle tracking package MODPATH and flow results from the Death Valley regional groundwater flow system (DVRFS) model developed by the U.S. Geological Survey (USGS). Effectiveporosity values for HGUs along these pathways are one of several parameters that determine possible radionuclide travel times between the NTS and proposed YM withdrawal areas. Values and uncertainties of HGU porosities are quantified through evaluation of existing site effective-porosity data and expert professional judgment and are incorporated in …

Provides a technical analysis showing that the 2006 International Energy Conservation Code contains improvements in energy efficiency compared to its predecessor, the 2003 International Energy Conservation Code. DOE is required by law to issue "determinations" of whether or not new editions of the IECC improve energy efficiency.

Poly(N-vinylpyrrolidone) (PVP) capped platinum and rhodium nanoparticles (7-12 nm) have been studied with UV-VIS, FTIR and Raman spectroscopy. The absorption bands in the region 190-900 nm are shown to be sensitive to the electronic structure of surface Rh and Pt atoms as well as to the aggregation of the nanoparticles. In-situ FTIR-DRIFT spectroscopy of the thermal decay of PVP stabilized Rh and Pt nanoparticles in H{sub 2} and O{sub 2} atmospheres in temperatures ranging from 30 C-350 C reveal that decomposition of PVP above 200 C, PVP transforms into a 'polyamidpolyene' - like material that is in turn converted into a thin layer of amorphous carbon above 300 C. Adsorbed carbon monoxide was used as a probing molecule to monitor changes of electronic structure of surface Rh and Pt atoms and accessible surface area. The behavior of surface Rh and Pt atoms with ligated CO and amide groups of pyrrolidones resemble that of surface coordination compounds.

There has been a recent shift in interest in converting not only natural gas and coal derived syngas to Fischer-Tropsch synthesis products, but also converting biomass-derived syngas, as well as syngas derived from coal and biomass mixtures. As such, conventional catalysts based on iron and cobalt may not be suitable without proper development. This is because, while ash, sulfur compounds, traces of metals, halide compounds, and nitrogen-containing chemicals will likely be lower in concentration in syngas derived from mixtures of coal and biomass (i.e., using entrained-flow oxygen-blown gasifier gasification gasification) than solely from coal, other compounds may actually be increased. Of particular concern are compounds containing alkali chemicals like the chlorides of sodium and potassium. In the first year, University of Kentucky Center for Applied Energy Research (UK-CAER) researchers completed a number of tasks aimed at evaluating the sensitivity of cobalt and iron-based Fischer-Tropsch synthesis (FT) catalysts and a commercial iron-chromia high temperature water-gas shift catalyst (WGS) to alkali halides. This included the preparation of large batches of 0.5%Pt-25%Co/Al{sub 2}O{sub 3} and 100Fe: 5.1Si: 3.0K: 2.0Cu (high alpha) catalysts that were split up among the four different entities participating in the overall project; the testing of the catalysts under clean …

The U.S. Nuclear Regulatory Commission's (NRC) conducts human factors engineering (HFE) safety reviews of applicant submittals for new plants and for changes to existing plants. The reviews include the evaluation of the methods and tools (M&T) used by applicants as part of their HFE program. The technology used to perform HFE activities has been rapidly evolving, resulting in a whole new generation of HFE M&Ts. The objectives of this research were to identify the current trends in HFE methods and tools, determine their applicability to NRC safety reviews, and identify topics for which the NRC may need additional guidance to support the NRC's safety reviews. We conducted a survey that identified over 100 new HFE M&Ts. The M&Ts were assessed to identify general trends. Seven trends were identified: Computer Applications for Performing Traditional Analyses, Computer-Aided Design, Integration of HFE Methods and Tools, Rapid Development Engineering, Analysis of Cognitive Tasks, Use of Virtual Environments and Visualizations, and Application of Human Performance Models. We assessed each trend to determine its applicability to the NRC's review by considering (1) whether the nuclear industry is making use of M&Ts for each trend, and (2) whether M&Ts reflecting the trend can be reviewed using the …

A COLED device consists of a top electrode (anode) and a bottom electrode (cathode) separated by a thin dielectric layer. In this metal/dielectric stack, numerous small wells, or cavities, are etched through the top electrode and the dielectric layer. These cavities are subsequently filled with LEP molecules. When a voltage is applied between the top and bottom electrodes, holes (from the top electrode) and electrons (from the bottom electrode) are injected into the polymer. Light emission is generated upon recombination of holes and electrons within the polymer along the perimeters of cavities. Figure 1 compares the structures of the COLED and the traditional OLED. The existing COLED fabrication process flow is illustrated in Figure 2. A COLED can potentially be 5 times more efficient and can operate at as much as 100 times higher current density with much longer lifetime than an OLED. To fully realize these potential advantages, the COLED technology must overcome the following technical barriers, which were the technical focused points for Years 1 and 2 (Phase I) of this project: (1) Construct optimum thickness dielectric layer: In the traditional OLED structure, the optimal thickness of the LEP film is approximately 80-100 nm. In a COLED device, …

The objective of this research was to develop and apply methods for more accurate predictions of reaction rates based on high-level quantum chemistry. We have developed and applied efficient, robust methods for fitting global ab initio potential energy surfaces (PESs) for both spectroscopy and dynamics calculations and for performing direct dynamics simulations. Our approach addresses the problem that high-level quantum calculations are often too costly in computer time for practical applications resulting in the use of levels of theory that are often inadequate for reactions. A critical objective was to develop practical methods that require the minimum number of electronic structure calculations for acceptable fidelity to the ab initio PES. Our method does this by a procedure that determines the optimal configurations at which ab initio points are computed, and that ensures that the final fitted PES is uniformly accurate to a prescribed tolerance. Our fitting methods can be done automatically, with little or no human intervention, and with no prior knowledge of the topology of the PES. The methods are based on local fitting schemes using interpolating moving least-squares (IMLS). IMLS has advantages over the very effective modified-Shepard methods developed by Collins and others in that higher-order polynomials can …

Laboratory measurements of mercury oxidation during selective catalytic reduction (SCR) of nitric oxide, simulation of pilot-scale measurements of mercury oxidation and adsorption by unburned carbon and fly ash, and synthesis of new materials for simultaneous oxidation and adsorption of mercury, were performed in support of the development of technology for control of mercury emissions from coal-fired boilers and furnaces. Conversion of gas-phase mercury from the elemental state to water-soluble oxidized form (HgCl{sub 2}) enables removal of mercury during wet flue gas desulfurization. The increase in mercury oxidation in a monolithic V{sub 2}O{sub 5}-WO{sub 3}/TiO{sub 2} SCR catalyst with increasing HCl at low levels of HCl (< 10 ppmv) and decrease in mercury oxidation with increasing NH{sub 3}/NO ratio during SCR were consistent with results of previous work by others. The most significant finding of the present work was the inhibition of mercury oxidation in the presence of CO during SCR of NO at low levels of HCl. In the presence of 2 ppmv HCl, expected in combustion products from some Powder River Basin coals, an increase in CO from 0 to 50 ppmv reduced the extent of mercury oxidation from 24 {+-} 3 to 1 {+-} 4%. Further increase in …

The performance of the Gamma Detector Response and Analysis Software (GADRAS) was validated by comparing GADRAS model results to experimental measurements for a series of benchmark sources. Sources for the benchmark include a plutonium metal sphere, bare and shielded in polyethylene, plutonium oxide in cans, a highly enriched uranium sphere, bare and shielded in polyethylene, a depleted uranium shell and spheres, and a natural uranium sphere. The benchmark experimental data were previously acquired and consist of careful collection of background and calibration source spectra along with the source spectra. The calibration data were fit with GADRAS to determine response functions for the detector in each experiment. A one-dimensional model (pie chart) was constructed for each source based on the dimensions of the benchmark source. The GADRAS code made a forward calculation from each model to predict the radiation spectrum for the detector used in the benchmark experiment. The comparisons between the GADRAS calculation and the experimental measurements are excellent, validating that GADRAS can correctly predict the radiation spectra for these well-defined benchmark sources.

A series of seven experiments were performed at the Rocky Flats Critical Mass Laboratory beginning in August, 1980 (References 1 and 2). Highly enriched uranyl nitrate solution was introduced into a 1-3 linear array of nested stainless steel annular tanks. The tanks were inside a concrete enclosure, with various moderator and absorber materials placed inside and/or between the tanks. These moderators and absorbers included boron-free concrete, borated concrete, borated plaster, and cadmium. Two configurations included placing bottles of highly enriched uranyl nitrate between tanks externally. Another experiment involved nested hemispheres of highly enriched uranium placed between tanks externally. These three configurations are not evaluated in this report. The experiments evaluated here are part of a series of experiments, one set of which is evaluated in HEU-SOL-THERM-033. The experiments in this and HEU-SOL-THERM-033 were performed similarly. They took place in the same room and used the same tanks, some of the same moderators and absorbers, some of the same reflector panels, and uranyl nitrate solution from the same location. There are probably additional similarities that existed that are not identified here. Thus, many of the descriptions in this report are either the same or similar to those in the HEU-SOL-THERM-033 report. …

This Note reports on the first simulations of and spin dynamics in the AGS using the ray-tracing code Zgoubi. It includes lattice analysis, comparisons with MAD, DA tracking, numerical calculation of depolarizing resonance strengths and comparisons with analytical models, etc. It also includes details on the setting-up of Zgoubi input data files and on the various numerical methods of concern in and available from Zgoubi. Simulations of crossing and neighboring of spin resonances in AGS ring, bare lattice, without snake, have been performed, in order to assess the capabilities of Zgoubi in that matter, and are reported here. This yields a rather long document. The two main reasons for that are, on the one hand the desire of an extended investigation of the energy span, and on the other hand a thorough comparison of Zgoubi results with analytical models as the 'thin lens' approximation, the weak resonance approximation, and the static case. Section 2 details the working hypothesis : AGS lattice data, formulae used for deriving various resonance related quantities from the ray-tracing based 'numerical experiments', etc. Section 3 gives inventories of the intrinsic and imperfection resonances together with, in a number of cases, the strengths derived from the ray-tracing. …

The US Department of Energy, Office of Fusion Energy Sciences (OFES) conducted a Research Needs Workshop, referred to as ReNeW, in June 2009. The information developed at this workshop will help OFES develop a plan for US fusion research during the ITER era, roughly the next two decades. The workshop was organized in five Themes, one of which was Harnessing Fusion Power (or Fusion Power for short). The top level goal of the Fusion Power Theme was to identify the research needed to develop the knowledge to design and build, with high confidence, robust and reliable systems that can convert fusion products to useful forms of energy in a reactor environment, including a self-sufficient supply of tritium fuel. Each Theme was subsequently subdivided into Panels to address specific topics. The Fusion Power Panel topics were: fusion fuel cycle; power extraction; materials science; safety and environment; and reliability, availability, maintainability and inspectability (RAMI). Here we present the key findings of the Fusion Power Theme.

Fatigue cracking in metals has been and is an area of great importance to the science and technology of structural materials for quite some time. The earliest stages of fatigue crack nucleation and growth are dominated by the microstructure and yet few models are able to predict the fatigue behavior during these stages because of a lack of microstructural physics in the models. This program has developed several new simulation tools to increase the microstructural physics available for fatigue prediction. In addition, this program has extended and developed microscale experimental methods to allow the validation of new microstructural models for deformation in metals. We have applied these developments to fatigue experiments in metals where the microstructure has been intentionally varied.

A new cadmium-free material system was successfully evaluated for the fabrication of thick film hybrid microcircuits at Honeywell Federal Manufacturing & Technologies (FM&T). The characterization involved screen printing, drying and firing two groups of resistor networks which were made using the current material system and the cadmium-free material system. Electrical, environmental and adhesion tests were performed on both groups to determine the more suitable material system. Additionally, untrimmed test coupons were evaluated to further characterize the new materials. The cadmiumfree material system did as well or better than the current material system. Therefore, the new cadmium-free material system was approved for use on production thick film product.

Produced water volume generation and management in the United States are not well characterized at a national level. The U.S. Department of Energy (DOE) asked Argonne National Laboratory to compile data on produced water associated with oil and gas production to better understand the production volumes and management of this water. The purpose of this report is to improve understanding of produced water by providing detailed information on the volume of produced water generated in the United States and the ways in which produced water is disposed or reused. As the demand for fresh water resources increases, with no concomitant increase in surface or ground water supplies, alternate water sources, like produced water, may play an important role. Produced water is water from underground formations that is brought to the surface during oil or gas production. Because the water has been in contact with hydrocarbon-bearing formations, it contains some of the chemical characteristics of the formations and the hydrocarbons. It may include water from the reservoir, water previously injected into the formation, and any chemicals added during the production processes. The physical and chemical properties of produced water vary considerably depending on the geographic location of the field, the geologic …

The Council of Great Lakes Governors administered the Great Lakes Biomass State and Regional Partnership (GLBSRP) under contract with the U. S. Department of Energy (DOE). This Partnership grew out of the existing Regional Biomass Energy Program which the Council had administered since 1983. The GLBSRP includes the States of Illinois, Indiana, Iowa, Michigan, Minnesota, Ohio and Wisconsin. The GLBSRP™s overall goal is to facilitate the increased production and use of bioenergy and biobased products throughout the region. The GLBSRP has traditionally addressed its goals and objectives through a three-pronged approach: providing grants to the States; undertaking region-wide education, outreach and technology transfer projects; and, providing in-house management, support and information dissemination. At the direction of US Department of Energy, the primary emphasis of the GLBSRP in recent years has been education and outreach. Therefore, most activities have centered on developing educational materials, hosting workshops and conferences, and providing technical assistance. This report summarizes a selection of activities that were accomplished under this cooperative agreement.

This white paper investigates the potential integration of the CTC work breakdown structure numbering scheme with a plant/equipment numbering system (PNS), or alternatively referred to in industry as a reference designation system (RDS). Ideally, the goal of such integration would be a single, common referencing system for the life cycle of the CTC that supports all the various processes (e.g., information, execution, and control) that necessitate plant and equipment numbers be assigned. This white paper focuses on discovering the full scope of Idaho National Laboratory (INL) processes to which this goal might be applied as well as the factors likely to affect decisions about implementation. Later, a procedure for assigning these numbers will be developed using this white paper as a starting point and that reflects the resolved scope and outcome of associated decisions.

The proposed work seeks to demonstrate and understand new phenomena in novel, freestanding III-nitride core-shell nanowires, including 1D and 2D electron gas formation and properties, and to investigate the role of surfaces and heterointerfaces on the transport and optical properties of nanowires, using a combined experimental and theoretical approach. Obtaining an understanding of these phenomena will be a critical step that will allow development of novel, ultrafast and ultraefficient nanowire-based electronic and photonic devices.

Assessing long-term performance of Category 3 waste cement grouts for radionuclide encasement requires knowledge of the radionuclide-cement interactions and mechanisms of retention (i.e., sorption or precipitation) the mechanism of contaminant release, the significance of contaminant release pathways, how waste form performance is affected by the full range of environmental conditions within the disposal facility, the process of waste form aging under conditions that are representative of processes occurring in response to changing environmental conditions within the disposal facility, the effect of waste form aging on chemical, physical, and radiological properties and the associated impact on contaminant release. This knowledge will enable accurate prediction of radionuclide fate when the waste forms come in contact with groundwater. Numerous sets of tests were initiated in fiscal years (FY) 2006-2009 to evaluate (1) diffusion of iodine (I) and technetium (Tc) from concrete into uncontaminated soil after 1 and 2 years, (2) I and rhenium (Re) diffusion from contaminated soil into fractured concrete, (3) I and Re (set 1) and Tc (set 2) diffusion from fractured concrete into uncontaminated soil, (4) evaluate the moisture distribution profile within the sediment half-cell, (5) the reactivity and speciation of uranium (VI) (U(VI)) compounds in concrete porewaters, (6) the …

Shared libraries have become ubiquitous and are used to achieve great resource efficiencies on many platforms. The same properties that enable efficiencies on time-shared computers and convenience on small clusters prove to be great obstacles to scalability on large clusters and High Performance Computing platforms. In addition, Light Weight operating systems such as Catamount have historically not supported the use of shared libraries specifically because they hinder scalability. In this report we will outline the methods of supporting shared libraries on High Performance Computing platforms using Light Weight kernels that we investigated. The considerations necessary to evaluate utility in this area are many and sometimes conflicting. While our initial path forward has been determined based on this evaluation we consider this effort ongoing and remain prepared to re-evaluate any technology that might provide a scalable solution. This report is an evaluation of a range of possible methods of supporting dynamically linked executables on capability class1 High Performance Computing platforms. Efforts are ongoing and extensive testing at scale is necessary to evaluate performance. While performance is a critical driving factor, supporting whatever method is used in a production environment is an equally important and challenging task.

In the past years, energetic vacuum deposition methods have been developed in different laboratories to improve Nb/Cu technology for superconducting cavities. Jefferson Lab is pursuing energetic condensation deposition via Electron Cyclotron Resonance. As part of this study, the influence of the deposition energy on the material and RF properties of the Nb thin film is investigated. The film surface and structure analyses are conducted with various techniques like X-ray diffraction, Transmission Electron Microscopy, Auger Electron Spectroscopy and RHEED. The microwave properties of the films are characterized on 50 mm disk samples with a 7.5 GHz surface impedance characterization system. This paper presents surface impedance measurements in correlation with surface and material characterization for Nb films produced on copper substrates with different bias voltages and also highlights emerging opportunities for developing multilayer SRF films with a new deposition system.

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Objectives - In order to produce solar modules for rooftop applications the performance and the lifetime must be improved to 5% - 7% and >10 year life. Task 1 Stability - (1) Flexible modules are stable to 1000 hrs at 65 C/85%RH, (2) Flexible modules in glass are stable to >2000 hrs at 85 C/85%RH (no decrease in performance); (3) Adhesive + filler helps stabilize modules; and (4) Solution coatable barriers exhibit good WVTR; work in-progress. Task 2 Performance: n-type charge carriers - (1) N-type polymers could not be synthesized; and (2) More than 30 fullerene derivatives synthesized and tested, Several deep LUMO derivatives accept charge from deep LUMO polymers, higher voltage observed, Improvement in cell efficiency not observed, morphology problem. Task 3 Performance: grid electrode - (1) Exceeded flatness and roughness goals; (2) Exceeds sheet resistance goals; (3) Achieved %T goals; and (4) Performance equivalent to ITO - 2% Efficiency ( av.); work in-progress.

This report documents the results of a steelhead kelt passage study conducted by the PNNL for the U.S. Army Corps of Engineers at Bonneville Dam in early spring 2007 and 2008. At the Second Powerhouse, a surface flow outlet called the corner collector (B2CC) may be an effective non-turbine passage route for steelhead kelt moving downstream in early spring before the main juvenile emigration season. The goal of this project was to inform management decisions regarding B2CC operations by estimating the number of kelt using the B2CC for downstream passage at Bonneville Dam prior to the juvenile spring migration season. We performed a hydroacoustic study from March 2 to April 10, 2007 and from March 13 to April 15, 2008.