Results are presented of a fully ab initio calculation of impact ionization rates in GaAs within the density functional theory framework, using a screened-exchange formalism and the highly precise all-electron full-potential linearized augmented plane wave method. The calculated impact ionization rates show a marked orientation dependence in k space, indicating the strong restrictions imposed by the conservation of energy and momentum. This anisotropy diminishes as the impacting electron energy increases. A Keldysh type fit performed on the energy-dependent rate shows a rather soft edge and a threshold energy greater than the direct band gap. The consistency with available Monte Carlo and empirical pseudopotential calculations shows the reliability of our approach and paves the way to ab initio calculations of pair production rates in new and more complex materials.

This document will explain the process to create a web interface for the accounting information generated by the High Performance Storage Systems (HPSS) accounting report feature. The accounting report contains useful data but it is not easily accessed in a meaningful way. The accounting report is the only way to see summarized storage usage information. The first step is to take the accounting data, make it meaningful and store the modified data in persistent databases. The second step is to generate the various user interfaces, HTML pages, that will be used to access the data. The third step is to transfer all required files to the web server. The web pages pass parameters to Common Gateway Interface (CGI) scripts that generate dynamic web pages and graphs. The end result is a web page with specific information presented in text with or without graphs. The accounting report has a specific format that allows the use of regular expressions to verify if a line is storage data. Each storage data line is stored in a detailed database file with a name that includes the run date. The detailed database is used to create a summarized database file that also uses run date …

We performed Monte Carlo calculations of the neutron and gamma ray spectra and neutron and gamma dose rates outside the shielding of the UF{sub 6} mass flowmeter. The UF{sub 6} mass flowmeter and the UF{sub 6} mass flowmeter are the two main components of the Blend Down Monitoring System (BDMS) equipment. The BDMS equipment is designed to continuously monitor the UF{sub 6} enrichment and mass flow rates in processing pipes at uranium facilities. The UF{sub 6} mass flowmeter incorporates four {sup 252}Cf neutron sources, surrounded by a polyethylene shielding block. The uranium fission products generated by the {sup 252}Cf neutrons are detected down the pipe, thus confirming the UF{sub 6} mass flow rate. The dose calculations used both U.S. and Russian gamma and neutron fluence-to-dose conversion coefficients. The purpose of these calculations was to facilitate proper interpretation of the neutron dose rate measurements from rem meters (e.g., rem balls) outside of BDMS shielding. An accurate determination of the dose rate is particular interest in that it enables dose rates to be compared with the applicable regulatory limit. The calculations show that neutrons outside of BDMS shielding are significantly reduced in energy, i.e., the spectrum is shifted (i.e., moderated) towards lower …

The High Average Power Laser Program (HAPL) is a multi-institutional, coordinated effort to develop a high-energy, repetitively pulsed laser system for Inertial Fusion Energy and other DOE and DOD applications. This program is building a laser-fusion energy base to complement the laser-fusion science developed by DOE Defense programs over the past 25 years. The primary institutions responsible for overseeing and coordinating the research activities are the Naval Research Laboratory (NRL) and LLNL. The current LLNL proposal is a companion proposal to that submitted by NRL, for which the driver development element is focused on the krypton fluoride excimer laser option. Aside from the driver development aspect, the NRL and LLNL companion proposals pursue complementary activities with the associated rep-rated laser technologies relating to target fabrication, target injection, final optics, fusion chamber, materials and power plant economics. This report requests continued funding in FY02 to support LLNL in its program to build a 1kW, 100J, diode-pumped, crystalline laser. In addition, research in high gain laser target design, fusion chamber issues and survivability of the final optic element will be pursued. These technologies are crucial to the feasibility of inertial fusion energy power plants and also have relevance in rep-rated stewardship experiments.

The methods and codes employed in the U.S. Heavy Ion Fusion program to simulate the beams in an Integrated Research Experiments (IRE) facility and a fusion driver are presented in overview. A new family of models incorporating accelerating module impedance, multi-beam, and self-magnetic effects is described, and initial WARP3d particle simulations of beams using these models are presented. Finally, plans for streamlining the machine-design simulation sequence, and for simulating beam dynamics from the source to the target in a consistent and comprehensive manner, are described.

This user's guide describes Visual Sample Plan (VSP) Version 1.0 and provides instructions for using the software. VSP selects the appropriate number and location of environmental samples to ensure that the results of statistical tests performed to provide input to environmental decisions have the required confidence and performance. VSP Version 1.0 provides sample-size equations or algorithms needed by specific statistical tests appropriate for specific environmental sampling objectives. The easy-to-use program is highly visual and graphic. VSP runs on personal computers with Microsoft Windows operating systems (95, 98, Millenium Edition, 2000, and Windows NT). Designed primarily for project managers and users without expertise in statistics, VSP is applicable to any two-dimensional geographical population to be sampled (e.g., surface soil, a defined layer of subsurface soil, building surfaces, water bodies, and other similar applications) for studies of environmental quality.

The threat to American interests from terrorists is not limited to attacks against humans. Terrorists might seek to inflict damage to the U.S. economy by attacking our agricultural sector. Infection of commodity crops by bacterial or fungal crop pathogens could adversely impact U.S. agriculture, either directly from damage to crops or indirectly from damage to our ability to export crops suspected of contamination. Recognizing a terrorist attack against U.S. agriculture, to be able to prosecute the terrorists, is among the responsibilities of the members of Hazardous Material Response Unit (HMRU) of the Federal Bureau of Investigation (FBI). Nucleic acid analysis of plant pathogen strains by the use of polymerase chain reaction (PCR) amplification techniques is a powerful method for determining the exact identity of pathogens, as well as their possible region of origin. This type of analysis, however, requires that PCR assays be developed specific to each particular pathogen strain, and analysis protocols developed that are specific to the particular instrument used for detection. The objectives of the work described here were threefold: 1) to assess the potential terrorist threat to U.S. agricultural crops, 2) to determine whether suitable assays exist to monitor that threat, and 3) where assays are …

This document is a proposed groundwater monitoring plan for the 300 Area process trenches to comply with RCRA final status, corrective action groundwater monitoring.

At the Hanford Site in Richland, Washington, the path to site cleanup involves vitrification of the majority of the wastes that currently reside in large underground tanks. A Joule-heated glass melter is the equipment of choice for vitrifying the high-level fraction of these wastes. Even though this technology has general national and international acceptance, opportunities may exist to improve or change the technology to reduce the enormous cost of accomplishing the mission of site cleanup. Consequently, the U.S. Department of Energy requested the staff of the Tanks Focus Area to review immobilization technologies, waste forms, and modifications to requirements for solidification of the high-level waste fraction at Hanford to determine what aspects could affect cost reductions with reasonable long-term risk. The results of this study are summarized in this report.

The Engineered Barrier System (EBS) Thermal-Hydraulic-Chemical (THC) Column Tests provide data needed for model validation. The EBS Degradation, Flow, and Transport Process Modeling Report (PMR) will be based on supporting models for in-drift THC coupled processes, and the in-drift physical and chemical environment. These models describe the complex chemical interaction of EBS materials, including granular materials, with the thermal and hydrologic conditions that will be present in the repository emplacement drifts. Of particular interest are the coupled processes that result in mineral and salt dissolution/precipitation in the EBS environment. Test data are needed for thermal, hydrologic, and geochemical model validation and to support selection of introduced materials (CRWMS M&O 1999c). These column tests evaluated granular crushed tuff as potential invert ballast or backfill material, under accelerated thermal and hydrologic environments. The objectives of the THC column testing are to: (1) Characterize THC coupled processes that could affect performance of EBS components, particularly the magnitude of permeability reduction (increases or decreases), the nature of minerals produced, and chemical fractionation (i.e., concentrative separation of salts and minerals due to boiling-point elevation). (2) Generate data for validating THC predictive models that will support the EBS Degradation, Flow, and Transport PMR, Rev. 01.

A scraper scan - sending a scraper through a particle beam while measuring the intensity as a function of scraper position - is a common method of determining the profile of the beam. At first glance, this seems to be a rather simple procedure. Nevertheless, some care is required in the acquisition of the data and in the analysis if one is going to achieve an accurate result.

The NEOS Server 4.0 provides a general Internet-based client/server as a link between users and software applications. The administrative guide covers the fundamental principals behind the operation of the NEOS Server, installation and trouble-shooting of the Server software, and implementation details of potential interest to a NEOS Server administrator. The guide also discusses making new software applications available through the Server, including areas of concern to remote solver administrators such as maintaining security, providing usage instructions, and enforcing reasonable restrictions on jobs. The administrative guide is intended both as an introduction to the NEOS Server and as a reference for use when running the Server.

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With the advances in new inorganic materials and processing techniques, there has been renewed interest in exploiting the benefits of membranes in many industrial applications. Inorganic and composite membranes are being considered as potential candidates for use in membrane-reactor configuration for effectively increasing reaction rate, selectivity and yield of equilibrium limited reactions. To investigate the usefulness of a palladium-ceramic composite membrane in a membrane reactor-separator configuration, we investigated the dehydrogenation of cyclohexane by equilibrium shift. A two-dimensional pseudo-homogeneous reactor model was developed to study the dehydrogenation of cyclohexane by equilibrium shift in a tubular membrane reactor. Radial diffusion was considered to account for the concentration gradient in the radial direction due to permeation through the membrane. For a dehydrogenation reaction, the feed stream to the reaction side contained cyclohexane and argon, while the separation side used argon as the sweep gas. Equilibrium conversion for dehydrogenation of cyclohexane is 18.7%. The present study showed that 100% conversion could be achieved by equilibrium shift using Pd-ceramic membrane reactor. For a feed containing cyclohexane and argon of 1.64 x 10{sup -6} and 1.0 x 10{sup -3} mol/s, over 98% conversion could be readily achieved. The dehydrogenation of cyclohexane was also experimentally investigated in …

The production of nuclear weapons in the United States to help defeat the Axis Powers in World War II and to maintain national security during the Cold War required the construction of a vast nuclear facility complex in the 1940's and 1950's. These facilities housed nuclear reactors needed for the production of plutonium and chemical plants required to separate the plutonium from fission products and to convert plutonium compounds to pure plutonium metal needed for weapons. The chemical separation processes created ''high-level waste'' that was eventually stored in metal tanks at each site. These wastes and other nuclear wastes still reside at sites throughout the United States. At the Savannah River Site, a facility (the Defense Waste Processing Facility) has been constructed to vitrify stored high-level waste that will be transferred to the national high-level waste repository. The liquid wastes at the Idaho National Engineering and Environmental Laboratory have largely been stabilized as a mixture of oxide particles (calcines) but liquid wastes remain to be treated and the calcined waste will probably require further processing into a final, stable form. The Hanford Site is now in the initial stages of waste treatment facility design and has a large number of …

The bremsstrahlung created by 150-MeV electrons impinging on a tantalum radiator was used to study photonuclear reactions on samples containing Be, C, Na, Cl and Ge. For Ge fifteen radioisotopes, ranging in half life between 2.6 min and 271 days, and in mass between 65 and 75, were obtained in sufficient amount to determine their yields quantitatively using known decay gamma-rays. Special equipment is described which was developed to create the bremsstrahlung using a beam-sharing mode, while minimizing the neutron flux on the sample. Relative production rates were determined. These were analyzed to provide absolute average cross sections for production of three reactions: <{sigma}> for {sup 35}Cl({gamma}, n) {sup 34}Cl{sup isom}- = 4.7 mb; <{sigma}> for {sup 70}Ge({gamma}, n){sup 69}Ge = 56 mb; and <{sigma}> for {sup 76}Ge({gamma}, n){sup 75}Ge = 53 mb, where the ({gamma}, n) values are averages over the giant resonances of the stable target isotopes.

The initial study on nanoparticles of magnetite was carried out in an epoxy matrix. The formation of agglomerates of Fe3O4 nanoparticles was studied by mu-XRF, magnetic, TEM and SEM techniques. Because of the elevated viscosity of epoxy resin and its effect on particle agglomeration, this study was extended using less viscous polyvinyl alcohol and some sol gels as a matrix. Unlike the results found in epoxy resin, spherical agglomerates were found in a PVA matrix even at Fe3O4 concentration of up to 50%.

The Pennsylvania State University, under contract to the U.S. Department of Energy, National Energy Technology Laboratory is performing a feasibility analysis on installing a state-of-the-art circulating fluidized bed boiler and ceramic filter emission control device at Penn State's University Park campus for cofiring multiple biofuels and other wastes with coal, and developing a test program to evaluate cofiring multiple biofuels and coal-based feedstocks. The objective of the project is being accomplished using a team that includes personnel from Penn State's Energy Institute, Office of Physical Plant, and College of Agricultural Sciences, Foster Wheeler Energy Services, Inc., Parsons Energy and Chemicals Group, Inc., and Cofiring Alternatives. During this reporting period, work focused on completing the biofuel characterization and the design of the conceptual fluidized bed system.

This paper is a summary of some of the activities conducted during the first year of a three-year cooperative research and development agreement (CRADA) between the Department of Energy (DOE) Rocky Mountain Oilfield Testing Center (RMOTC) and Texaco relating to the treatment of produced water by constructed wetlands. The first year of the CRADA is for design, construction and acclimation of the wetland pilot units. The second and third years of the CRADA are for tracking performance of pilot wetlands as the plant and microbial communities mature. A treatment wetland is a proven technology for the secondary and tertiary treatment of produced water, storm water and other wastewaters. Treatment wetlands are typically classified as either free-water surface (FWS) or subsurface flow (SSF). Both FWS and SSF wetlands work well when properly designed and operated. This paper presents a collection of kinetic data gathered from pilot units fed a slipstream of Wyoming (NPR-3) produced water. The pilot units are set up outdoors to test climatic influences on treatment. Monitoring parameters include evapotranspiration, plant growth, temperature, and NPDES discharge limits. The pilot wetlands (FWS and SSF) consist of a series of 100-gal plastic tubs filled with local soils, gravel, sharp sand and …

Limit load solutions obtained by elastic-perfectly plastic finite element analysis (EPP-FEA) are compared to results of tests of low-alloy steel perforated plate geometries loaded to full plastic collapse. Results are given for two plastic-collapse tests of flat circular disks with circular penetrations arranged in a triangular pattern and drilled normal to the surface of the plate. The ligament efficiency (minimum distance between holes divided by the distance between the centers of the holes) of the pattern is 0.32 and the plate thickness is 2.39 inches (60.7 mm). The tests were designed so that a transverse load generated plastic collapse in the outer row of penetrations due to a combination of transverse shear and in-plane bending. Limit-load solutions were obtained using EPP-FEA with small-strain, small-defection linear geometry assumptions. Two FEA models are used: one where the perforated region is modeled using an equivent solid plate (EQS) representation and another where each hole is explicitly modeled by FEA. The results presented in this paper demonstrate that the deformation patterns produced by the EPP-FEA solutions match exactly with the deformation patterns produced by the test. The EQS-EPP FEA solution is about 15% lower than the explicit-hole EPP-FEA solution. Using one-third the actual ultimate …

The shock tube technique with H- and D-atom atomic resonance absorption spectrometry (ARAS) detection has been used to study the thermal decomposition of C{sub 2}D{sub 5}I and the reaction, CH{sub 3} + D'' CH{sub 2}D + H, (1) over the temperature ranges, 924-1370 K and 1294-1753 K, respectively. First-order rate constants for the thermal decomposition of C{sub 2}D{sub 5}I can be expressed by the Arrhenius equation, logk{sub C2D5I} = (10.397 {+-} 0.297) - (7700 {+-} 334 K)/T, giving k{sub C2D5I} = 2.49 x 10{sup 10} exp(-17729 K/T) s{sup -1}. The branching ratio between product channels, C{sub 2}D{sub 5} + I and C{sub 2}D{sub 4} + DI, was also determined. These results coupled with the fast decomposition of C{sub 2}D{sub 5} radicals were then used to specify [D]{sub t} in subsequent kinetics experiments with CH{sub 3} where [CH{sub 3}]{sub 0} was prepared from the concurrent thermal decomposition of CH{sub 3}I. Within experimental error, the rate constants for reaction (1) were found to be temperature independent with k{sub 1} = (2.20 {+-} 0.22) x 10{sup -10} cm{sup 3} molecule{sup -1} s{sup -1}. The present data have been combined with earlier lower temperature determinations and the joint database has been examined with unimolecular …

The Static Database Access library was first introduced in EPICS (Experimental Physics and Industrial Control System) Release 3.11 in 1994. It provides an application program interface (API) for database configuration tools written in C to manipulate database record definitions and is used for various tasks within the core EPICS software. This paper describes the structure of a replacement for the original library that adds a native C++ API and will make some future enhancements to EPICS significantly easier to implement.

We present a short overview of radio surveys for AGN, including the ''complete'' flux limited surveys and ''filtered'' surveys. We also describe our ultra-steep spectrum search for the highest redshift radio galaxies, and our follow-up VLA and ATCA observations of the most distant (z = 5.19) and the most luminous z < 2 radio galaxy known.