PySpline is a modern computer program for processing raw averaged XAS and EXAFS data using an intuitive approach which allows the user to see the immediate effect of various processing parameters on the resulting k- and R-space data. The Python scripting language and Qt and Qwt widget libraries were chosen to meet the design requirement that it be cross-platform (i.e. versions for Windows, Mac OS X, and Linux). PySpline supports polynomial pre- and post-edge background subtraction, splining of the EXAFS region with a multi-segment polynomial spline, and Fast Fourier Transform (FFT) of the resulting k{sup 3}-weighted EXAFS data.

Two-dimensional MHD simulations are performed using the ZEUS-2D code to investigate the dynamics of a collapsar that generates a GRB jet, taking account of realistic equation of state, neutrino cooling and heating processes, magnetic fields, and gravitational force from the central black hole and self-gravity. It is found that neutrino heating processes are not efficient enough to launch a jet in this study. It is also found that a jet is launched mainly by B{sub {phi}} fields that are amplified by the winding-up effect. However, since the ratio of total energy relative to the rest-mass energy in the jet is not as high as several hundred, we conclude that the jets seen in this study are not GRB jets. This result suggests that general relativistic effects will be important to generating a GRB jet. Also, the accretion disk with magnetic fields may still play an important role in launching a GRB jet, although a simulation for much longer physical time ({approx}10-100 s) is required to confirm this effect. It is shown that a considerable amount of {sup 56}Ni is synthesized in the accretion disk. Thus, there will be a possibility for the accretion disk to supply the sufficient amount of …

The Savannah River Site (SRS) will disperse or dissolve precipitated metal oxides as part of radioactive waste tank closure operations. Previously SRS used oxalic acid to accomplish this task. To better understand the conditions of oxalic acid cleaning of the carbon steel waste tanks, laboratory simulations of the process were conducted to determine the corrosion rate of carbon steel and the generation of gases such as hydrogen and carbon dioxide. Open circuit potential measurements, linear polarization measurements, and coupon immersion tests were performed in-situ to determine the corrosion behavior of carbon steel during the demonstration. Vapor samples were analyzed continuously to determine the constituents of the phase. The combined results from these measurements indicated that in aerated environments, such as the tank, that the corrosion rates are manageable for short contact times and will facilitate prediction and control of the hydrogen generation rate during operations.

The research supported by DOE funding addressed the fundamental issues of understanding and modeling of hydrologic processes in relation to regional and global climate change. The emphasis of this research effort was on the application of isentropic modeling and analysis to advance the accuracy of the simulation of all aspects of the hydrologic cycle including clouds and thus the climate state regionally and globally. Simulation of atmospheric hydrologic processes by the UW hybrid isentropic coordinate models provided fundamental insight into global monsoonal circulations, and regional energy exchange in relation to the atmospheric hydrologic cycle. Inter-comparison of UW hybrid model simulations with those from the NCAR Community Climate Model and other climate and numerical weather prediction (NWP) models investigated the increased accuracies gained in modeling long-range transport in isentropic coordinates and isolated differences in modeling of the climate state. The inter-comparisons demonstrated advantages in the simulation of the transport of the hydrologic components of the climate system and provided insight into the more general problems of simulating hydrologic processes, aerosols and chemistry for climate. This research demonstrated the viability of the UW isentropic-eta model for long-term integration for climate and climate change studies and documented that no insurmountable barriers exist to …

The new physics, algorithmic and computer science capabilities of the Mercury general-purpose Monte Carlo particle transport code are discussed. The new physics and algorithmic features include in-line energy deposition and isotopic depletion, significant enhancements to the tally and source capabilities, diagnostic ray-traced particles, support for multi-region hybrid (mesh and combinatorial geometry) systems, and a probability of initiation method. Computer science enhancements include a second method of dynamically load-balancing parallel calculations, improved methods for visualizing 3-D combinatorial geometries and initial implementation of an in-line visualization capabilities.

In July 2004, LLNL adopted the International Standard ISO 14001 as a Work Smart Standard in lieu of DOE Order 450.1. In support of this new requirement the Director issued a new environmental policy that was documented in Section 3.0 of Document 1.2, ''ES&H Policies of LLNL'', in the ES&H Manual. In recent years the Environmental Management System (EMS) process has become formalized as LLNL adopted ISO 14001 as part of the contract under which the laboratory is operated for the Department of Energy (DOE). On May 9, 2005, LLNL revised its Integrated Safety Management System Description to enhance existing environmental requirements to meet ISO 14001. Effective October 1, 2005, each new project or activity is required to be evaluated from an environmental aspect, particularly if a potential exists for significant environmental impacts. Authorizing organizations are required to consider the management of all environmental aspects, the applicable regulatory requirements, and reasonable actions that can be taken to reduce negative environmental impacts. During 2006, LLNL has worked to implement the corrective actions addressing the deficiencies identified in the DOE/LSO audit. LLNL has begun to update the present EMS to meet the requirements of ISO 14001:2004. The EMS commits LLNL--and each employee--to …

The nitrate ion (NO{sub 3}{sup -}) is an inhibitor for crevice corrosion of Alloy 22 (N06022) in chloride (Cl{sup -}) aqueous solutions. Naturally formed electrolytes may contain both chloride and nitrate ions. The higher the ratio R = [NO{sub 3}{sup -}]/[Cl{sup -}] in the solution the stronger the inhibition of crevice corrosion. Atmospheric desert dust contains both chloride and nitrate salts, generally based on sodium (Na{sup +}) and potassium (K{sup +}). Some of these salts may deliquescence at relatively low humidity at temperatures on the order of 150 C and higher. The resulting deliquescent brines are highly concentrated and especially rich in nitrate. Electrochemical tests have been performed to explore the anodic behavior of Alloy 22 in high chloride high nitrate electrolytes at temperatures as high as 150 C at ambient atmospheres. Naturally formed brines at temperatures higher than 120 C do not induce crevice corrosion in Alloy 22 because they contain high levels of nitrate. The inhibitive effect of nitrate on crevice corrosion is still active for temperatures higher than 100 C.

The analysis of actinides in environmental soil and sediment samples is very important for environmental monitoring. There is a need to measure actinide isotopes with very low detection limits. A new, rapid actinide separation method has been developed and implemented that allows the measurement of plutonium, americium and curium isotopes in very large soil samples (100-200 g) with high chemical recoveries and effective removal of matrix interferences. This method uses stacked TEVA Resin{reg_sign}, TRU Resin{reg_sign} and DGA-Resin{reg_sign} cartridges from Eichrom Technologies (Darien, IL, USA) that allows the rapid separation of plutonium (Pu), americium (Am), and curium (Cm) using a single multistage column combined with alpha spectrometry. The method combines an acid leach step and innovative matrix removal using cerium fluoride precipitation to remove the difficult soil matrix. This method is unique in that it provides high tracer recoveries and effective removal of interferences with small extraction chromatography columns instead of large ion exchange resin columns that generate large amounts of acid waste. By using vacuum box cartridge technology with rapid flow rates, sample preparation time is minimized.

A new nonlinear thermo-mechanical model for heavily jointed rock masses is presented. The model uses correlation functions between the porosity and the basic rock properties such as elastic moduli, tensile and compressive strength. The model assumes that the media is isotropic and is characterized by two variable parameters: insipient porosity and in-situ-to-intact modulus ratio.

The Optic Assembly Building (OAB) is a facility where large optical mirror units are assembled and installed into Line Replaceable Units (LRUs) for deployment into the National Ignition Facility (NIF) laser system. The New Optics Insertion Device (NOID) is a powered jib crane specially designed to handle large optical assemblies. The NOID arm has three degrees of freedom. it can rotate about the vertical boom, travel up and down the boom, and extend away from and retract in towards the boom. The NOID is used to assist in the assembly of five types of Laser Mirror (LM) LRUs. These five LMs have been creatively named, LM4, LM5, LM6, LM7, and LM8. The LM4 and LM5 LRUs each contain four Mirror Sub-Assemblies (MSAs). The LM6, LM7, and LM8 LRUs each contain 2 MSAs. The MSAs are assembled apart from the LRU and are then installed in the LRU at the LM4-8 workstations. An MSA NOID End-Effector is required to interface with the MSAs and install them into the LRUs. The End-Effector must attach to the robo-hand on the end of the NOID arm. At the time the MSA NOID End-Effector was being designed the NOID, the LM4-5 workstation, and the LM6-8 …

This report contains individual radiological protection surveillance data developed during 2006 for adult members of a select group of families living on Utrok Atoll. These Group I volunteers all underwent a whole-body count to determine levels of internally deposited cesium-137 ({sup 137}Cs) and supplied a bioassay sample for analysis of plutonium isotopes. Measurement data were obtained and the results compared with an equivalent set of measurement data for {sup 137}Cs and plutonium isotopes from a second group of adult volunteers (Group II) who were long-term residents of Utrok Atoll. For the purposes of this comparison, Group II volunteers were considered representative of the general population on Utrok Atoll. The general aim of the study was to determine residual systemic burdens of fallout radionuclides in each volunteer group, develop data in response to addressing some specific concerns about the preferential uptake and potential health consequences of residual fallout radionuclides in Group I volunteers, and generally provide some perspective on the significance of radiation doses delivered to volunteers (and the general Utrok Atoll resident population) in terms of radiological protection standards and health risks. Based on dose estimates from measurements of internally deposited {sup 137}Cs and plutonium isotopes, the data and information …

This paper outlines what an individual engineer or scientist can do to increase her or his creativity. It then describes what educators can do and makes two proposals: (a) Reduce the number of courses required for undergraduate and graduate degrees in engineering and science and (b) change the nature of laboratory courses and Ph. D. research so that students have the freedom to try out their own ideas, with the expectation that they will make mistakes and will both expand their creativity and learn more, by doing.

The U.S. Department of Energy's (DOE) Office of Environmental Management (EM) has collaborated with the various international institutes (e.g. Russian Federal Atomic Energy Agency--Rosatom and Ukraine government's Chornobyl Center-International Radioecology Laboratory (CC-IRL)) for many years on radioactive waste management challenges of mutual concern. Currently, EM is cooperating with Rosatom and the Ukraine's CC-IRL to explore issues related to high-level waste and to investigate experience and technologies that could support EM site cleanup needs. EM is currently implementing five collaborative projects with other international institutes on nuclear waste issues: (1) Application of the Cold Crucible Induction Heated Melter to DOE Wastes; SIA Radon, Moscow. (2) Design Improvements to the Cold Crucible Induction Heated Melter; Electrotechnical University, St. Petersburg. (3) Improve Retention of Radionuclides in Cement Type Waste Forms; Khlopin Radium Institute, St. Petersburg. (4) Improved Solubility and Retention of Troublesome Components in SRS and Hanford HLW Glasses; Khlopin Radium Institute, St. Petersburg. (5) Long-term Impacts from Radiation/Contamination within the Chornobyl Exclusion Zone, Chornobyl Center, International Radioecology Laboratory, Ukraine The purpose of this paper is to provide an overview of EM's objectives for participating in cooperative activities with various international institutes. Additionally, this paper presents programmatic and technical information on these activities, …

An alternative methodology is described for Large-Eddy Simulation of flows involving shocks, turbulence and mixing. In lieu of filtering the governing equations, it is postulated that the large-scale behavior of an ''LES'' fluid, i.e., a fluid with artificial properties, will be similar to that of a real fluid, provided the artificial properties obey certain constraints. The artificial properties consist of modifications to the shear viscosity, bulk viscosity, thermal conductivity and species diffusivity of a fluid. The modified transport coefficients are designed to damp out high wavenumber modes, close to the resolution limit, without corrupting lower modes. Requisite behavior of the artificial properties is discussed and results are shown for a variety of test problems, each designed to exercise different aspects of the models. When combined with a 10th-order compact scheme, the overall method exhibits excellent resolution characteristics for turbulent mixing, while capturing shocks and material interfaces in crisp fashion.

Large-scale, complex scientific applications are beginning to benefit from the use of component software design methodology and technology for software development. Integral to the success of component-based applications is the ability to achieve high-performing code solutions through the use of performance engineering tools for both intra-component and inter-component analysis and optimization. Our work on this project aimed to develop performance engineering technology for scientific component software in association with the DOE CCTTSS SciDAC project (active during the contract period) and the broader Common Component Architecture (CCA) community. Our specific implementation objectives were to extend the TAU performance system and Program Database Toolkit (PDT) to support performance instrumentation, measurement, and analysis of CCA components and frameworks, and to develop performance measurement and monitoring infrastructure that could be integrated in CCA applications. These objectives have been met in the completion of all project milestones and in the transfer of the technology into the continuing CCA activities as part of the DOE TASCS SciDAC2 effort. In addition to these achievements, over the past three years, we have been an active member of the CCA Forum, attending all meetings and serving in several working groups, such as the CCA Toolkit working group, the CQoS …

The neutron background is created primarily by cosmic rays interactions. Of particular interest for SNM detection is an understanding of burst events that resemble fission chains. We have been studying the interaction of cosmic rays with a lead pile that is efficient at creating neutron bursts from cosmic ray interactions. The neutron burst size depends on the configuration of the lead. We have found that the largest bursts appear to have been created by primaries of energy over 100 GeV that have had a diffractive interaction with the atmosphere. The large events trigger muon coincidence paddles with very high efficiency, and the resulting interactions with the lead pile can create over 10, 000 neutrons in a burst.

In a series of experiments and linked theoretical modeling, the range of possible solutions for Pu electronic structure has been dramatically reduced. Nevertheless, the key issue of electron correlation remains.

Since the submission of our last Semi-annual Report, dated September 2006, the research objectives of this Co-operative Agreement shifted toward geologic sequestration of carbon dioxide. In the period September 2006-February 2007, experiments were conducted in a High-Pressure Batch Reactor (HPBR) for creating emulsions of liquid carbon dioxide (/CO{sub 2})-in-water stabilized by fine particles for geologic sequestration of CO{sub 2}. Also, emulsions were created in water of a binary mixture of liquid carbon dioxide and liquid hydrogen sulfide (/H{sub 2}S), called Acid Gas (AG). This leads to the possibility of safe disposal of AG in deep geologic formations, such as saline aquifers. The stabilizing particles included pulverized limestone (CaCO{sub 3}), unprocessed flyash, collected by an electrostatic precipitator at a local coal-fired power plant, and pulverized siderite (FeCO{sub 3}). Particle size ranged from submicron to a few micrometers. The first important finding is that /CO{sub 2} and /H{sub 2}S freely mix as a binary liquid without phase separation. The next finding is that the mixture of /CO{sub 2} and /H{sub 2}S can be emulsified in water using fine particles as emulsifying agents. Such emulsions are stable over prolonged periods, so it should not be a problem to inject an emulsion into subterranean …

The effectiveness of three dispersants to modify rheology was examined using rheology measurements and laser scanning confocal microscopy (LSCM) in simulated waste solutions. All of the dispersants lowered the yield stress of the slurries below the baseline samples. The rheology curves were fitted reasonably to a Bingham Plastic model. The three-dimensional LSCM images of simulants showed distinct aggregates were greatly reduced after the addition of dispersants leading to a lowering of the yield stress of the simulated waste slurry solutions.

The objective of this project was to define the scope and cost of a technology research and development program that will demonstrate the feasibility of using an off-the-shelf, unmodified, large bore diesel powered generator in a grid-connected application, utilizing various blends of BioDiesel as fuel. Furthermore, the objective of project was to develop an emissions control device that uses a catalytic process and BioDiesel (without the presence of Ammonia or Urea)to reduce NOx and other pollutants present in a reciprocating engine exhaust stream with the goal of redefining the highest emission reduction efficiencies possible for a diesel reciprocating generator. Process: Caterpillar Power Generation adapted an off-the-shelf Diesel Generator to run on BioDiesel and various Petroleum Diesel/BioDiesel blends. EmeraChem developed and installed an exhaust gas cleanup system to reduce NOx, SOx, volatile organics, and particulates. The system design and function was optimized for emissions reduction with results in the 90-95% range;

The Savannah River Site (SRS) will disperse or dissolve precipitated metal oxides as part of radioactive waste tank closure operations. Previously SRS has utilized oxalic acid to accomplish this task. Since the waste tanks are constructed of carbon steel, a significant amount of corrosion may occur. Although the total amount of corrosion may be insignificant for a short contact time, a significant amount of hydrogen may be generated due to the corrosion reaction. Linear polarization resistance and anodic/cathodic polarization tests were performed to investigate the corrosion behavior during the process. The effect of process variables such as temperature, agitation, aeration, sample orientation, light as well as surface finish on the corrosion behavior were evaluated. The results of the tests provided insight into the corrosion mechanism for the iron-oxalic acid system.

The Ernest Orlando Lawrence Berkeley National Laboratory (Berkeley Lab or LBNL) is a multi-program national research facility operated by the University of California for the Department of Energy (DOE). As an integral element of DOE's National Laboratory System, Berkeley Lab supports DOE's missions in fundamental science, energy resources, and environmental quality. Berkeley Lab programs advance four distinct goals for DOE and the nation: (1) To perform leading multidisciplinary research in the computing sciences, physical sciences, energy sciences, biosciences, and general sciences in a manner that ensures employee and public safety and protection of the environment. (2) To develop and operate unique national experimental facilities for qualified investigators. (3) To educate and train future generations of scientists and engineers to promote national science and education goals. (4) To transfer knowledge and technological innovations and to foster productive relationships among Berkeley Lab's research programs, universities, and industry in order to promote national economic competitiveness.

The Supersymmetry Les Houches Accord (SLHA) provides a universal set of conventions for conveying spectral and decay information for supersymmetry analysis problems in high energy physics. Here, we propose extensions of the conventions of the first SLHA to include various generalizations: the minimal supersymmetric standard model with violation of CP, R-parity, and flavor, as well as the simplest next-to-minimal model.

The ''Initial Single-Shell Tank System Performance Assessment for the Hanford Site [1] (SST PA) presents the analysis of the long-term impacts of residual wastes assumed to remain after retrieval of tank waste and closure of the SST farms at the US Department of Energy (DOE) Hanford Site. The SST PA supports key elements of the closure process agreed upon in 2004 by DOE, the Washington State Department of Ecology (Ecology), and the US Environmental Protection Agency (EPA). The SST PA element is defined in Appendix I of the ''Hanford Federal Facility Agreement and Consent Order'' (HFFACO) (Ecology et al. 1989) [2], the document that establishes the overall closure process for the SST and double-shell tank (DST) systems. The approach incorporated in the SST PA integrates substantive features of both hazardous and radioactive waste management regulations into a single analysis. The defense-in-depth approach used in this analysis defined two major engineering barriers (a surface barrier and the grouted tank structure) and one natural barrier (the vadose zone) that will be relied on to control waste release into the accessible environment and attain expected performance metrics. The analysis evaluates specific barrier characteristics and other site features that influence contaminant migration by the …