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A comprehensive validation analysis has been performed that incorporates representativity of multiple parameters, experiments, reference designs, and adjustment of the nuclear data. The work involves a new representativity study among selected reactor designs and several experiments. Application, using existing experiments, to reference design like the ABTR and the SFR has demonstrated that it is possible to achieve a significant reduction of uncertainty on the main integral parameters of interest for their neutronic design. This is possible when the set of available experiments are relevant (i.e. representative of the reference designs), of good quality (i.e. of reduced uncertainty on experimental results), and consistent (i.e. not providing conflictive information).

The gas-cooled fast reactor (GFR) is one of six advanced nuclear energy systems being studied under the auspices of the Gen IV International Forum (GIF). In a bilateral International Nuclear Energy Research Initiative (I-NERI) project French and U.S. national laboratories, industry, and universities are collaborating on the development of the GFR. This effort is led by the ANL in the U.S. and the CEA in France. Some of the attractions of the GFR include: (1) Hard spectrum and core breeding ratio, BR {approx} 1. These features allow minimal waste production, improved transmutation capability, optimal and flexible use of natural resources, potentially better economy (because of use of higher power density relative to current thermal gas-cooled systems), and improved non-proliferation (no fertile blanket); (2) Temperature resistant fuel and structure elements that are favorable to tight fission product confinement and system operation at high temperature; (3) High temperature and transparent helium (He) gas coolant that allows a high thermodynamic conversion efficiency, other energy applications (e.g., hydrogen production), and ease of in-service inspection and repair; and (4) Possible direct energy conversion cycle leading to a simpler design, increased conversion efficiency, and lower investment costs. The French strategy for advanced systems includes the development …

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An evidence of the existence of leptoquarks (LQ) would prove the validity of various extensions of the Standard Model of Particle Physics (SM). The search for first generation leptoquarks presented in this dissertation has been performed by analyzing a 1.02 fb{sup -1} sample of data collected by the D0 detector, events with a final state comprising two light jets and two electrons. The absence of an excess of events in comparison to SM expectations leads to exclude scalar LQ masses up to 292 GeV and vector LQ masses from 350 to 458 GeV, depending on the LQ-l-q coupling type. The great importance of a good jet energy measurement motivated the study of the instrumental backgrounds correlated to the calorimeter, as much as studies of the hadronic showers energy resolution in {gamma} + jets events.

The GNEP program envisions continuing the use of light-water reactors (LWRs), with the addition of processing the discharged, or spent, LWR fuel to recover actinide and fission product elements, and then recycling the actinide elements in sodium-cooled fast reactors. Previous work has established the relationship between the processing efficiencies of spent LWR fuel, as represented by spent PWR fuel, and the potential increase in repository utilization for the resulting processing waste. The purpose of this current study is to determine a similar relationship for the waste from processing spent fast reactor fuel, and then to examine the wastes from the combination of LWRs and fast reactors as would be deployed with the GNEP approach.

With data from the SELEX experiment we study charm hadro-production. We report the differential production cross sections as function of the longitudinal and transverse momentum, as well as for two different target materials, of 14 charmed hadron and/or their decay modes. This is the most extensive study to date. SELEX is a fixed target experiment at Fermilab with high forward acceptance; it took data during 1996-1997 with 600 GeV/c {Sigma}{sup -} and {pi}{sup -}, and 540 GeV/c proton and {pi}{sup +} beams. It used 5 target foils (two copper and three diamond). We use the results to determine {alpha}, used in parametrizing the production cross section as {infinity} A{sup {alpha}}, where A is the mass number of the target nuclei. We found within our statistics that {alpha} is independent of the longitudinal momentum fraction x{sub F} in the interval 0.1 < x{sub F} < 1.0, with {alpha} = 0.778 {+-} 0.014. The average value of {alpha} for charm production by pion beams is {alpha}{sub meson} = 0.850 {+-} 0.028. This is somewhat larger than the corresponding average {alpha}{sub baryon} = 0.755 {+-} 0.016 for charm production by baryon beams ({Sigma}{sup -} and protons).

The Department of Energy Office of Nuclear Energy is supporting system studies to gain a better understanding of nuclear power's potential role in a hydrogen economy and what hydrogen production technologies show the most promise. This assessment includes identifying commercial hydrogen applications and their requirements, comparing the characteristics of nuclear hydrogen systems to those market requirements, evaluating nuclear hydrogen configuration options within a given market, and identifying the key drivers and thresholds for market viability of nuclear hydrogen options. One of the objectives of the current analysis phase is to determine how nuclear hydrogen technologies could evolve under a number of different futures. The outputs of our work will eventually be used in a larger hydrogen infrastructure and market analysis conducted for DOE-EE using a system-level market simulation tool now underway. This report expands on our previous work by moving beyond simple levelized cost calculations and looking at profitability, risk, and uncertainty from an investor's perspective. We analyze a number of technologies and quantify the value of certain technology and operating characteristics. Our model to assess the profitability of the above technologies is based on Real Options Theory and calculates the discounted profits from investing in each of the production …

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 …

This report presents the software engineering effort under way at ANL towards a comprehensive integrated computational framework (SHARP) for high fidelity simulations of sodium cooled fast reactors. The primary objective of this framework is to provide accurate and flexible analysis tools to nuclear reactor designers by simulating multiphysics phenomena happening in complex reactor geometries. Ideally, the coupling among different physics modules (such as neutronics, thermal-hydraulics, and structural mechanics) needs to be tight to preserve the accuracy achieved in each module. However, fast reactor cores in steady state mode represent a special case where weak coupling between neutronics and thermal-hydraulics is usually adequate. Our framework design allows for both options. Another requirement for SHARP framework has been to implement various coupling algorithms that are parallel and scalable to large scale since nuclear reactor core simulations are among the most memory and computationally intensive, requiring the use of leadership-class petascale platforms. This report details our progress toward achieving these goals. Specifically, we demonstrate coupling independently developed parallel codes in a manner that does not compromise performance or portability, while minimizing the impact on individual developers. This year, our focus has been on developing a lightweight and loosely coupled framework targeted at UNIC …

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Supersymmetry, extension of the Standard Model of Particle Physics (SM), is searched for by trying to observe the supersymmetric partner of bottom quark ({tilde b}). This search is performed using events with a final state comprising two acoplanar b-quark jets and missing transverse energy (MET) and coming from a sample of 992 pb{sup -1} of data collected by the D0 detector at the Tevatron, the Fermilab p{bar p} collider. The absence of an excess of events in comparison to MS expectations leads to exclude sb masses up to 201 GeV, neutralino masses up to 94 GeV. The MET has been studied under two points of view, because of its fundamental role in this search. First, at the level of the trigger system which allows the online selection candidate events, and then, within the framework of the ALPGEN generator, the simulation of the Z boson transverse momentum which appears as MET when the Z boson decays into neutrino.

This report summarizes the methodology and results of a user perspectives study conducted by the Community Driven Improvement of Globus Software (CDIGS) project. The purpose of the study was to document the work-related goals and challenges facing today's scientific technology users, to record their perspectives on Globus software and the distributed-computing ecosystem, and to provide recommendations to the Globus community based on the observations. Globus is a set of open source software components intended to provide a framework for collaborative computational science activities. Rather than attempting to characterize all users or potential users of Globus software, our strategy has been to speak in detail with a small group of individuals in the scientific community whose work appears to be the kind that could benefit from Globus software, learn as much as possible about their work goals and the challenges they face, and describe what we found. The result is a set of statements about specific individuals experiences. We do not claim that these are representative of a potential user community, but we do claim to have found commonalities and differences among the interviewees that may be reflected in the user community as a whole. We present these as a series …

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This paper constructs strong-stability-preserving general linear time-stepping methods that are well suited for hyperbolic PDEs discretized by the method of lines. These methods generalize both Runge-Kutta (RK) and linear multistep schemes. They have high stage orders and hence are less susceptible than RK methods to order reduction from source terms or nonhomogeneous boundary conditions. A global optimization strategy is used to find the most efficient schemes that have low storage requirements. Numerical results illustrate the theoretical findings.

This report documents the results of analyses with transmission electron microscopy (TEM) combined with energy dispersive X-ray spectroscopy (EDS) and selected area electron diffraction (ED) of samples of metallic waste form (MWF) materials that had been subjected to various corrosion tests. The objective of the TEM analyses was to characterize the composition and microstructure of surface alteration products which, when combined with other test results, can be used to determine the matrix corrosion mechanism. The examination of test samples generated over several years has resulted in refinements to the TEM sample preparation methods developed to preserve the orientation of surface alteration layers and the underlying base metal. The preservation of microstructural spatial relationships provides valuable insight for determining the matrix corrosion mechanism and for developing models to calculate radionuclide release in repository performance models. The TEM results presented in this report show that oxide layers are formed over the exposed steel and intermetallic phases of the MWF during corrosion in aqueous solutions and humid air at elevated temperatures. An amorphous non-stoichiometric ZrO{sub 2} layer forms at the exposed surfaces of the intermetallic phases, and several nonstoichiometric Fe-O layers form over the steel phases in the MWF. These oxide layers adhere …

The results of laboratory testing and modeling activities conducted to support the development of waste forms to immobilize wastes generated during the electrometallurgical treatment of spent sodium-bonded nuclear fuel and their qualification for disposal in the federal high-level radioactive waste repository are summarized in this report. Tests and analyses were conducted to address issues related to the chemical, physical, and radiological properties of the waste forms relevant to qualification. These include the effects of composition and thermal treatments on the phase stability, radiation effects, and methods for monitoring product consistency. Other tests were conducted to characterize the degradation and radionuclide release behaviors of the ceramic waste form (CWF) used to immobilize waste salt and the metallic waste form (MWF) used to immobilize metallic wastes and to develop models for calculating the release of radionuclides over long times under repository-relevant conditions. Most radionuclides are contained in the binder glass phase of the CWF and in the intermetallic phase of the MWF. The release of radionuclides from the CWF is controlled by the dissolution rate of the binder glass, which can be tracked using the same degradation model that is used for high-level radioactive waste (HLW) glass. Model parameters measured for the …

Researchers at Argonne National Laboratory expanded the Greenhouse gases, Regulated Emissions, and Energy use in Transportation (GREET) model and incorporated the fuel economy and electricity use of alternative fuel/vehicle systems simulated by the Powertrain System Analysis Toolkit (PSAT) to conduct a well-to-wheels (WTW) analysis of energy use and greenhouse gas (GHG) emissions of plug-in hybrid electric vehicles (PHEVs). The WTW results were separately calculated for the blended charge-depleting (CD) and charge-sustaining (CS) modes of PHEV operation and then combined by using a weighting factor that represented the CD vehicle-miles-traveled (VMT) share. As indicated by PSAT simulations of the CD operation, grid electricity accounted for a share of the vehicle's total energy use, ranging from 6% for a PHEV 10 to 24% for a PHEV 40, based on CD VMT shares of 23% and 63%, respectively. In addition to the PHEV's fuel economy and type of on-board fuel, the marginal electricity generation mix used to charge the vehicle impacted the WTW results, especially GHG emissions. Three North American Electric Reliability Corporation regions (4, 6, and 13) were selected for this analysis, because they encompassed large metropolitan areas (Illinois, New York, and California, respectively) and provided a significant variation of marginal generation …

The fuel-cycle energy use and greenhouse gas (GHG) emissions associated with the application of fuel cells to distributed power generation were evaluated and compared with the combustion technologies of microturbines and internal combustion engines, as well as the various technologies associated with grid-electricity generation in the United States and California. The results were primarily impacted by the net electrical efficiency of the power generation technologies and the type of employed fuels. The energy use and GHG emissions associated with the electric power generation represented the majority of the total energy use of the fuel cycle and emissions for all generation pathways. Fuel cell technologies exhibited lower GHG emissions than those associated with the U.S. grid electricity and other combustion technologies. The higher-efficiency fuel cells, such as the solid oxide fuel cell (SOFC) and molten carbonate fuel cell (MCFC), exhibited lower energy requirements than those for combustion generators. The dependence of all natural-gas-based technologies on petroleum oil was lower than that of internal combustion engines using petroleum fuels. Most fuel cell technologies approaching or exceeding the DOE target efficiency of 40% offered significant reduction in energy use and GHG emissions.

Shielding for the APS will be such that the individual radiation worker dose will be as low as reasonably achievable (ALARA). The ALARA goals for the APS are to keep the total of the work-related radiation exposure (exposure coming from other than natural or medical sources) as far below 500 person-mrem per year, collective total effective dose equivalent, as reasonably achievable. For an individual APS radiation worker, the goal is to keep the maximum occupational total effective dose equivalent of any one employee as far below 200 mrem/yr as reasonably achievable. The ALARA goal for APS beamline scientists is to keep the total of the work-related radiation exposure (exposure coming from other than natural or medical sources) as far below 100 person-mrem per year, collective total effective dose equivalent, as reasonably achievable. For an individual APS beamline scientist, the goal is to keep the maximum occupational total effective dose equivalent of any one scientist as far below 50 mrem/yr as reasonably achievable. The dose is actively monitored by the radiation monitors on the storage ring wall in each sector and by the frequent area surveys performed by the health physics personnel. For cases in which surveys indicate elevated hourly dose …

This report concerns the generation of support vector machine classifiers for solving the pattern recognition problem in machine learning. Several methods are proposed based on interior point methods for convex quadratic programming. Software implementations are developed by adapting the object-oriented packaging OOQP to the problem structure and by using the software package PETSc to perform time-intensive computations in a distributed setting. Linear systems arising from classification problems with moderately large numbers of features are solved by using two techniques--one a parallel direct solver, the other a Krylov-subspace method incorporating novel preconditioning strategies. Numerical results are provided, and computational experience is discussed.

This report highlights the research performed in 2004 in the Physics Division of Argonne National Laboratory. The Division's programs include operation of ATLAS as a national user facility, nuclear structure and reaction research, nuclear theory, medium energy nuclear research and accelerator research and development. The intellectual challenges of this research represent some of the most fundamental challenges in modern science, shaping our understanding of both tiny objects at the center of the atom and some of the largest structures in the universe. A great strength of these efforts is the critical interplay of theory and experiment. Notable results in research at ATLAS include a measurement of the charge radius of He-6 in an atom trap and its explanation in ab-initio calculations of nuclear structure. Precise mass measurements on critical waiting point nuclei in the rapid-proton-capture process set the time scale for this important path in nucleosynthesis. An abrupt fall-off was identified in the subbarrier fusion of several heavy-ion systems. ATLAS operated for 5559 hours of research in FY2004 while achieving 96% efficiency of beam delivery for experiments. In Medium Energy Physics, substantial progress was made on a long-term experiment to search for the violation of time-reversal invariance using trapped Ra …

This report highlights the research performed in 2005 in the Physics Division of Argonne National Laboratory. The Division's programs include operation of ATLAS as a national user facility, nuclear structure and reaction research, nuclear theory, medium energy nuclear research and accelerator research and development. The mission of Nuclear Physics is to understand the origin, evolution and structure of baryonic matter in the universe--the matter that makes up stars, planets and human life itself. The Division's research focuses on innovative new ways to address this mission and 2005 was a year of great progress. One of the most exciting developments is the initiation of the Californium Rare Ion Breeder Upgrade, CARIBU. By combining a Cf-252 fission source, the gas catcher technology developed for rare isotope beams, a high-resolution isobar separator, and charge breeding ECR technology, CARIBU will make hundreds of new neutron-rich isotope beams available for research. The cover illustration shows the anticipated intensities of low-energy beams that become available for low-energy experiments and for injection into ATLAS for reacceleration. CARIBU will be completed in early 2009 and provide us with considerable experience in many of the technologies developed for a future high intensity exotic beam facility. Notable results in research …

The growing stockpile of nuclear waste constitutes a severe challenge for the mankind for more than hundred thousand years. To reduce the radiotoxicity of the nuclear waste, the Accelerator Driven System (ADS) has been proposed. One of the most important issues of ADSs technology is the choice of the appropriate neutron spectrum for the transmutation of Minor Actinides (MA) and Long Lived Fission Products (LLFP). This report presents the analytical analyses obtained with the deterministic ERANOS code system for the YALINA facility within: (a) the collaboration between Argonne National Laboratory (ANL) of USA and the Joint Institute for Power and Nuclear Research (JIPNR) Sosny of Belarus; and (b) the IAEA coordinated research projects for accelerator driven systems (ADS). This activity is conducted as a part of the Russian Research Reactor Fuel Return (RRRFR) Program and the Global Threat Reduction Initiative (GTRI) of DOE/NNSA.