The thermochemical database of species involved in combustion processes is and has been available for free use for over 25 years. It was first published in print in 1984, approximately 8 years after it was first assembled, and contained 215 species at the time. This is the 7th printed edition and most likely will be the last one in print in the present format, which involves substantial manual labor. The database currently contains more than 1300 species, specifically organic molecules and radicals, but also inorganic species connected to combustion and air pollution. Since 1991 this database is freely available on the internet, at the Technion-IIT ftp server, and it is continuously expanded and corrected. The database is mirrored daily at an official mirror site, and at random at about a dozen unofficial mirror and 'finger' sites. The present edition contains numerous corrections and many recalculations of data of provisory type by the G3//B3LYP method, a high-accuracy composite ab initio calculation. About 300 species are newly calculated and are not yet published elsewhere. In anticipation of the full coupling, which is under development, the database started incorporating the available (as yet unpublished) values from Active Thermochemical Tables. The electronic version now …

A methodology was developed for computing the probability that the sensor dart for the 'Near Real-Time Site Characterization for Assured HDBT Defeat' Grand-Challenge LDRD project will survive deployment over a forested region. The probability can be decomposed into three approximately independent probabilities that account for forest coverage, branch density and the physics of an impact between the dart and a tree branch. The probability that a dart survives an impact with a tree branch was determined from the deflection induced by the impact. If a dart that was deflected so that it impacted the ground at an angle of attack exceeding a user-specified, threshold value, the dart was assumed to not survive the impact with the branch; otherwise it was assumed to have survived. A computer code was developed for calculating dart angle of attack at impact with the ground and a Monte Carlo scheme was used to calculate the probability distribution of a sensor dart surviving an impact with a branch as a function of branch radius, length, and height from the ground. Both an early prototype design and the current dart design were used in these studies. As a general rule of thumb, it we observed that for …

To demonstrate compliance with the Waste Isolation Pilot Plant (WIPP) waste characterization program, each testing and analytical facility performing waste characterization activities participates in the Performance Demonstration Program (PDP). The PDP serves as a quality control check against expected results and provides information about the quality of data generated in the characterization of waste destined for WIPP. Single blind audit samples are prepared and distributed by an independent organization to each of the facilities participating in the PDP. There are three elements within the PDP: analysis of simulated headspace gases, analysis of solids for Resource Conservation and Recovery Act (RCRA) constituents, and analysis for transuranic (TRU) radionuclides using nondestructive assay (NDA) techniques. Because the analysis for TRU radionuclides using NDA techniques involves both the counting of drums and standard waste boxes, four PDP plans are required to describe the activities of the three PDP elements. In accordance with these PDP plans, the reviewing and approving authority for PDP results and for the overall program is the CBFO PDP Appointee. The CBFO PDP Appointee is responsible for ensuring the implementation of each of these plans by concurring with the designation of the Program Coordinator and by providing technical oversight and coordination …

As radars move to Unmanned Aerial Vehicles with limited-bandwidth data downlinks, the amount of data stored and transmitted with each image becomes more significant. This document gives the results of a study to determine the effect of lossy compression in the image magnitude and phase on Coherent Change Detection (CCD). We examine 44 lossy compression types, plus lossless zlib compression, and test each compression method with over 600 CCD image pairs. We also derive theoretical predictions for the correlation for most of these compression schemes, which compare favorably with the experimental results. We recommend image transmission formats for limited-bandwidth programs having various requirements for CCD, including programs which cannot allow performance degradation and those which have stricter bandwidth requirements at the expense of CCD performance.

A laser hazard analysis was performed for the SNL Active Polarimeter Optical System based on the ANSI Standard Z136.1-2000, American National Standard for Safe Use of Lasers and the ANSI Standard Z136.6-2000, American National Standard for Safe Use of Lasers Outdoors. The Active Polarimeter Optical System (APOS) uses a pulsed, near-infrared, chromium doped lithium strontium aluminum fluoride (Cr:LiSAF) crystal laser in conjunction with a holographic diffuser and lens to illuminate a scene of interest. The APOS is intended for outdoor operations. The system is mounted on a height adjustable platform (6 feet to 40 feet) and sits atop a tripod that points the beam downward. The beam can be pointed from nadir to as much as 60 degrees off of nadir producing an illuminating spot geometry that can vary from circular (at nadir) to elliptical in shape (off of nadir). The JP Innovations crystal Cr:LiSAF laser parameters are presented in section II. The illuminating laser spot size is variable and can be adjusted by adjusting the separation distance between the lens and the holographic diffuser. The system is adjusted while platform is at the lowest level. The laser spot is adjusted for a particular spot size at a particular distance …

The ASME Boiler and Pressure Vessel Code provides rules for the design of Class 1 components of nuclear power plants. Figures I-9.1 through I-9.6 of Appendix I to Section III of the Code specify design curves for applicable structural materials. However, the effects of light water reactor (LWR) coolant environments are not explicitly addressed by the Code design curves. The existing fatigue strain-vs.-life ({var_epsilon}-N) data illustrate potentially significant effects of LWR coolant environments on the fatigue resistance of pressure vessel and piping steels. Under certain environmental and loading conditions, fatigue lives of austenitic stainless steels (SSs) can be a factor of 20 lower in water than in air. This report presents experimental data on the effect of heat treatment on fatigue crack initiation in austenitic Type 304 SS in LWR coolant environments. A detailed metallographic examination of fatigue test specimens was performed to characterize the crack morphology and fracture morphology. The key material, loading, and environmental parameters and their effect on the fatigue life of these steels are also described. Statistical models are presented for estimating the fatigue {var_epsilon}-N curves for austenitic SSs as a function of material, loading, and environmental parameters. Two methods for incorporating the effects of LWR …

It has been determined that poorly crystalline CST and SNT prepared at low temperature (100-150 deg. C) exhibit much faster kinetics in uptake of Sr2+. 2. In-situ X-ray studies has shown that SNT is a precursor phase to the formation of CST. 3. It is possible to form mixtures of CST and SNT in a single reactant mix by control of temperature and time of reaction. 4. It has been found that addition of a small amount of Cs+ to the reactant mix for the preparation of Nb-CST allows formation of the crystals in one day rather than ten days at 200 deg. C. 5. These discoveries suggest that a proper mix of sorbents (SNT, CST, Nb-CST) can be made easily at low cost that would remove all the HLW at the Savannah River site with a single in-tank procedure. Research Objective The basic science goal in this project is to identify structure/affinity relationships for selected radionuclides and existing sorbents. The research will then apply this knowledge to the design and synthesis of sorbents that will exhibit increased cesium, strontium and actinide removal. The target problem focuses on the treatment of high-level nuclear wastes. The general approach can likewise be …

GWPC, DOGGR, and other state agencies propose to build eBusiness applications based on a .NET front-end user interface for the DOE's Energy 100 Award-winning Risk Based Data Management System (RBDMS) data source and XML Web services. This project will slash the costs of regulatory compliance by automating routine regulatory reporting and permit notice review and by making it easier to exchange data with the oil and gas industry--especially small, independent operators. Such operators, who often do not have sophisticated in-house databases, will be able to use a subset of the same RBDMS tools available to the agencies on the desktop to file permit notices and production reports online. Once the data passes automated quality control checks, the application will upload the data into the agency's RBDMS data source. The operators also will have access to state agency datasets to focus exploration efforts and to perform production forecasting, economic evaluations, and risk assessments. With the ability to identify economically feasible oil and gas prospects, including unconventional plays, over the Internet, operators will minimize travel and other costs. Because GWPC will coordinate these data sharing efforts with the Bureau of Land Management (BLM), this project will improve access to public lands and …

Existing contraband detection and entry control devices such as metal detectors, X-ray machines, and radiation monitors were investigated for their capability to operate in an automated environment. In addition, a limited number of new devices for detection of explosives, chemicals, and biological agents were investigated for their feasibility for inclusion in future physical security systems. The tables in this document resulted from this investigation, which was part of a conceptual design upgrade for the United States Mints. This summary of commercially available technologies was written to provide a reference for physical security upgrades at other sites.

This document is a two-page summary of researchaccomplishments in the LBNL Visualization program during FY2005.

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The intended purpose of the multiscale thermohydrologic model (MSTHM) is to predict the possible range of thermal-hydrologic conditions, resulting from uncertainty and variability, in the repository emplacement drifts, including the invert, and in the adjoining host rock for the repository at Yucca Mountain. The goal of the MSTHM is to predict a reasonable range of possible thermal-hydrologic conditions within the emplacement drift. To be reasonable, this range includes the influence of waste-package-to-waste-package heat output variability relevant to the license application design, as well as the influence of uncertainty and variability in the geologic and hydrologic conditions relevant to predicting the thermal-hydrologic response in emplacement drifts. This goal is quite different from the goal of a model to predict a single expected thermal-hydrologic response. As a result, the development and validation of the MSTHM and the associated analyses using this model are focused on the goal of predicting a reasonable range of thermal-hydrologic conditions resulting from parametric uncertainty and waste-package-to-waste-package heat-output variability. Thermal-hydrologic conditions within emplacement drifts depend primarily on thermal-hydrologic conditions in the host rock at the drift wall and on the temperature difference between the drift wall and the drip-shield and waste-package surfaces. Thus, the ability to predict a …

The purpose of this letter is to submit the Reactor Instrumentation and Control (I&C) software life cycle, development methodology, and programming language selections and rationale for project Prometheus to NR for approval. This letter also provides the draft Reactor I&C Software Development Process Manual and Reactor Module Software Development Plan to NR for information.

We have measured and modeled the change in electrical resistivity due to partial transformation to the martensitic {alpha}{prime}-phase in a {delta}-phase Pu-Ga matrix. The primary objective is to relate the change in resistance, measured with a 4-probe technique during the transformation, to the volume fraction of the {alpha}{prime} phase created in the microstructure. Analysis by finite element methods suggests that considerable differences in the resistivity may be anticipated depending on the orientational and morphological configurations of the {alpha}{prime} particles. Finite element analysis of the computed resistance of an assembly of lenticular shaped particles indicates that series resistor or parallel resistor approximations are inaccurate and can lead to an underestimation of the predicted amount of {alpha}{prime} in the sample by 15% or more. Comparison of the resistivity of a simulated network of partially transformed grains or portions of grains suggests that a correction to the measured resistivity allows quantification of the amount of {alpha}{prime} phase in the microstructure with minimal consideration of how the {alpha}{prime} morphology may evolve. It is found that the average of the series and parallel resistor approximations provide the most accurate relationship between the measured resistivity and the amount of {alpha}{prime} phase. The methods described here are …

This report summarizes both general corrosion of Alloy 22 from 60 to 220 C and the stability of the passive (oxide) film from 60 to 90 C over a range of solution compositions that are relevant to the in-drift chemical environment at the waste package surface. The general corrosion rates were determined by weight-loss measurements in a range of complex solution compositions representing the products of both the evaporation of seepage water and also the deliquescence of dust previously deposited on the waste canisters. These data represent the first weight-loss measurements performed by the program at temperatures above 90 C. The low corrosion rates of Alloy 22 are attributed to the protective oxide film that forms at the metal surface. In this report, changes in the oxide film composition are correlated with weight loss at the higher temperatures (140-220 C) where film characterization had not been previously performed. The stability of the oxide film was further analyzed by conducting a series of electrochemical tests in progressively more acidic solutions to measure the general corrosion rates in solutions that mimic crevice or pit environments.

An a posteriori error estimator is developed for the eigenvalue analysis of three-dimensional heterogeneous elastic structures. It constitutes an extension of a well-known explicit estimator to heterogeneous structures. We prove that our estimates are independent of the variations in material properties and independent of the polynomial degree of finite elements. Finally, we study numerically the effectivity of this estimator on several model problems.

It has been determined that poorly crystalline CST and SNT prepared at low temperature (100-150 C) exhibit much faster kinetics in uptake of Sr2+. In-situ X-ray studies has shown that SNT is a precursor phase to the formation of CST. It is possible to form mixtures of CST and SNT in a single reactant mix by control of temperature and time of reaction. It has been found that addition of a small amount of Cs+ to the reactant mix for the preparation of Nb-CST allows formation of the crystals in one day rather than ten days at 200 C. These discoveries suggest that a proper mix of sorbents (SNT, CST, Nb-CST) can be made easily at low cost that would remove all the HLW at the Savannah River site with a single in-tank procedure. The basic science goal in this project is to identify structure/affinity relationships for selected radionuclides and existing sorbents. The research will then apply this knowledge to the design and synthesis of sorbents that will exhibit increased cesium, strontium and actinide removal. The target problem focuses on the treatment of high-level nuclear wastes. The general approach can likewise be applied to non-radioactive separations.

The National Energy Modeling System (NEMS) is a multi-sector, integrated model of the U.S. energy system put out by the Department of Energy's Energy Information Administration. NEMS is used to produce the annual 20-year forecast of U.S. energy use aggregated to the nine-region census division level. The research objective was to disaggregate this regional energy forecast to the county level for select forecast years, for use in a more detailed and accurate regional analysis of energy usage across the U.S. The process of disaggregation using a geographic information system (GIS) was researched and a model was created utilizing available population forecasts and climate zone data. The model's primary purpose was to generate an energy demand forecast with greater spatial resolution than what is currently produced by NEMS, and to produce a flexible model that can be used repeatedly as an add-on to NEMS in which detailed analysis can be executed exogenously with results fed back into the NEMS data flow. The methods developed were then applied to the study data to obtain residential and commercial electricity demand forecasts. The model was subjected to comparative and statistical testing to assess predictive accuracy. Forecasts using this model were robust and accurate in …

The DOE established the Groundwater Monitoring Program (GMP) (WP 02-1) to monitor groundwater resources at WIPP. In the past, the GMP was conducted to establish background data of existing conditions of groundwater quality and quantity in the WIPP vicinity, and to develop and maintain a water quality database as required by regulation. Today the GMP is conducted consistent with 204.1.500 NMAC (New MexicoAdministrative Code), "Adoption of 40 CFR [Code of Federal Regulations] Part 264,"specifically 40 CFR §264.90 through §264.101. These sections of 20.4.1 NMAC provide guidance for detection monitoring of groundwater that is, or could be, affected by waste management activities at WIPP. Detection monitoring at WIPP is designed to detect contaminants in the groundwater long before the general population is exposed. Early detection will allow cleanup efforts to be accomplished before any exposure to the general population can occur. Title 40 CFR Part 264, Subpart F, stipulates minimum requirements of Resource Conservation and Recovery Act of 1976 (42 United States Code [U.S.C.] §6901 et seq.) (RCRA) groundwater monitoring programs including the number and location of monitoring wells; sampling and reporting schedules; analytical methods and accuracy requirements; monitoring parameters; and statistical treatment of monitoring data. This document outlines how WIPP …

This document is a two-page summary of research accomplishments in the LBNL Visualization program during FY2005.

The U.S. Department of Energy's (DOE's) State Energy Program (SEP) was established in 1996 by merging the State Energy Conservation Program (SECP) and the Institutional Conservation Program (ICP), both of which had been in existence since 1976 (U.S. DOE 2001a). The SEP provides financial and technical assistance for a wide variety of energy efficiency and renewable energy activities undertaken by the states and territories. SEP provides money to each state and territory according to a formula that accounts for population and energy use. In addition to these ''Formula Grants'', SEP ''Special Project'' funds are made available on a competitive basis to carry out specific types of energy efficiency and renewable energy activities (U.S. DOE 2003c). The resources provided by DOE typically are augmented by money and in-kind assistance from a number of sources, including other federal agencies, state and local governments, and the private sector. The states SEP efforts include several mandatory activities, such as establishing lighting efficiency standards for public buildings, promoting car and vanpools and public transportation, and establishing policies for energy-efficient government procurement practices. The states and territories also engage in a broad range of optional activities, including holding workshops and training sessions on a variety of …

This multinational, multi-phase spent fuel sabotage test program is quantifying the aerosol particles produced when the products of a high energy density device (HEDD) interact with and explosively particulate test rodlets that contain pellets of either surrogate materials or actual spent fuel. This program has been underway for several years. This program provides data that are relevant to some sabotage scenarios in relation to spent fuel transport and storage casks, and associated risk assessments. The program also provides significant technical and political benefits in international cooperation. We are quantifying the Spent Fuel Ratio (SFR), the ratio of the aerosol particles released from HEDD-impacted actual spent fuel to the aerosol particles produced from surrogate materials, measured under closely matched test conditions, in a contained test chamber. In addition, we are measuring the amounts, nuclide content, size distribution of the released aerosol materials, and enhanced sorption of volatile fission product nuclides onto specific aerosol particle size fractions. These data are the input for follow-on modeling studies to quantify respirable hazards, associated radiological risk assessments, vulnerability assessments, and potential cask physical protection design modifications. This document includes an updated description of the test program and test components for all work and plans made, …

3-D finite element analyses were performed to evaluate the structural integrity of caverns located at the Strategic Petroleum Reserve's Big Hill site. State-of-art analyses simulated the current site configuration and considered additional caverns. The addition of 5 caverns to account for a full site and a full dome containing 31 caverns were modeled. Operations including both normal and cavern workover pressures and cavern enlargement due to leaching were modeled to account for as many as 5 future oil drawdowns. Under the modeled conditions, caverns were placed very close to the edge of the salt dome. The web of salt separating the caverns and the web of salt between the caverns and edge of the salt dome were reduced due to leaching. The impacts on cavern stability, underground creep closure, surface subsidence and infrastructure, and well integrity were quantified. The analyses included recently derived damage criterion obtained from testing of Big Hill salt cores. The results show that from a structural view point, many additional caverns can be safely added to Big Hill.

This report has the following topics: (1) Changing perspectives on nuclear safety and security; (2) Evolving needs in a post-9/11 era; (3) Nuclear Weapons--An attractive terrorist target; (4) The case for increased safety; (5) Evolution of current nuclear weapons safety and security; (6) Integrated surety; (7) The role of safety and security in enabling responsiveness; (8) Advances in surety technologies; and (9) Reevaluating safety.