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Diagnostic examination of Generation 2 lithium-ion cells and assessment ofperformance degradation mechanisms.

Description: The Advanced Technology Development (ATD) Program is a multilaboratory effort to assist industrial developers of high-power lithium-ion batteries overcome the barriers of cost, calendar life, abuse tolerance, and low-temperature performance so that this technology may be rendered practical for use in hybrid electric vehicles (HEVs). Included in the ATD Program is a comprehensive diagnostics effort conducted by researchers at Argonne National Laboratory (ANL), Brookhaven National Laboratory (BNL), and Lawrence Berkeley National Laboratory (LBNL). The goals of this effort are to identify and characterize processes that limit lithium-ion battery performance and calendar life, and ultimately to describe the specific mechanisms that cause performance degradation. This report is a compilation of the diagnostics effort conducted since spring 2001 to characterize Generation 2 ATD cells and cell components. The report is divided into a main body and appendices. Information on the diagnostic approach, details from individual diagnostic techniques, and details on the phenomenological model used to link the diagnostic data to the loss of 18650-cell electrochemical performance are included in the appendices. The main body of the report includes an overview of the 18650-cell test data, summarizes diagnostic data and modeling information contained in the appendices, and provides an assessment of the various mechanisms that have been postulated to explain performance degradation of the 18650 cells during accelerated aging. This report is intended to serve as a ready reference on ATD Generation 2 18650-cell performance and provide information on the tools for diagnostic examination and relevance of the acquired data. A comprehensive account of our experimental procedures and resulting data may be obtained by consulting the various references listed in the text. We hope that this report will serve as a roadmap for the diagnostic analyses of other lithium-ion technologies being evaluated for HEV applications. It is our hope that the information contained ...
Date: July 15, 2005
Creator: Abraham, D. P.; Dees, D. W.; Knuth, J.; Reynolds, E.; Gerald, R.; Hyung,Y.-E. et al.

The grand challenge of managing the petascale facility.

Description: This report is the result of a study of networks and how they may need to evolve to support petascale leadership computing and science. As Dr. Ray Orbach, director of the Department of Energy's Office of Science, says in the spring 2006 issue of SciDAC Review, 'One remarkable example of growth in unexpected directions has been in high-end computation'. In the same article Dr. Michael Strayer states, 'Moore's law suggests that before the end of the next cycle of SciDAC, we shall see petaflop computers'. Given the Office of Science's strong leadership and support for petascale computing and facilities, we should expect to see petaflop computers in operation in support of science before the end of the decade, and DOE/SC Advanced Scientific Computing Research programs are focused on making this a reality. This study took its lead from this strong focus on petascale computing and the networks required to support such facilities, but it grew to include almost all aspects of the DOE/SC petascale computational and experimental science facilities, all of which will face daunting challenges in managing and analyzing the voluminous amounts of data expected. In addition, trends indicate the increased coupling of unique experimental facilities with computational facilities, along with the integration of multidisciplinary datasets and high-end computing with data-intensive computing; and we can expect these trends to continue at the petascale level and beyond. Coupled with recent technology trends, they clearly indicate the need for including capability petascale storage, networks, and experiments, as well as collaboration tools and programming environments, as integral components of the Office of Science's petascale capability metafacility. The objective of this report is to recommend a new cross-cutting program to support the management of petascale science and infrastructure. The appendices of the report document current and projected DOE computation facilities, science trends, and ...
Date: February 28, 2007
Creator: Aiken, R. J. & Science, Mathematics and Computer

Environmentally assisted cracking in light water reactors annual report January - December 2005.

Description: This report summarizes work performed from January to December 2005 by Argonne National Laboratory on fatigue and environmentally assisted cracking in light water reactors (LWRs). Existing statistical models for estimating the fatigue life of carbon and low-alloy steels and austenitic stainless steels (SSs) as a function of material, loading, and environmental conditions were updated. Also, the ASME Code fatigue adjustment factors of 2 on stress and 20 on life were critically reviewed to assess the possible conservatism in the current choice of the margins. An approach, based on an environmental fatigue correction factor, for incorporating the effects of LWR environments into ASME Section III fatigue evaluations is discussed. The susceptibility of austenitic stainless steels and their welds to irradiation-assisted stress corrosion cracking (IASCC) is being evaluated as a function of the fluence level, water chemistry, material chemistry, and fabrication history. For this task, crack growth rate (CGR) tests and slow strain rate tensile (SSRT) tests are being conducted on various austenitic SSs irradiated in the Halden boiling water reactor. The SSRT tests are currently focused on investigating the effects of the grain boundary engineering process on the IASCC of the austenitic SSs. The CGR tests were conducted on Type 316 SSs irradiated to 0.45-3.0 dpa, and on sensitized Type 304 SS and SS weld heat-affected-zone material irradiated to 2.16 dpa. The CGR tests on materials irradiated to 2.16 dpa were followed by a fracture toughness test in a water environment. The effects of material composition, irradiation, and water chemistry on growth rates are discussed. The susceptibility of austenitic SS core internals to IASCC and void swelling is also being evaluated for pressurized water reactors. Both SSRT tests and microstructural examinations are being conducted on specimens irradiated in the BOR-60 reactor in Russia to doses up to 20 dpa. Crack growth ...
Date: August 31, 2007
Creator: Alexandreanu, B.; Chen, Y.; Chopra, O. K.; Chung, H. M.; Gruber, E. E.; Shack, W. J. et al.

Crack growth rates and metallographic examinations of Alloy 600 and Alloy 82/182 from field components and laboratory materials tested in PWR environments.

Description: In light water reactors, components made of nickel-base alloys are susceptible to environmentally assisted cracking. This report summarizes the crack growth rate results and related metallography for field and laboratory-procured Alloy 600 and its weld alloys tested in pressurized water reactor (PWR) environments. The report also presents crack growth rate (CGR) results for a shielded-metal-arc weld of Alloy 182 in a simulated PWR environment as a function of temperature between 290 C and 350 C. These data were used to determine the activation energy for crack growth in Alloy 182 welds. The tests were performed by measuring the changes in the stress corrosion CGR as the temperatures were varied during the test. The difference in electrochemical potential between the specimen and the Ni/NiO line was maintained constant at each temperature by adjusting the hydrogen overpressure on the water supply tank. The CGR data as a function of temperature yielded activation energies of 252 kJ/mol for a double-J weld and 189 kJ/mol for a deep-groove weld. These values are in good agreement with the data reported in the literature. The data reported here and those in the literature suggest that the average activation energy for Alloy 182 welds is on the order of 220-230 kJ/mol, higher than the 130 kJ/mol commonly used for Alloy 600. The consequences of using a larger value of activation energy for SCC CGR data analysis are discussed.
Date: May 5, 2008
Creator: Alexandreanu, B.; Chopra, O. K. & Shack, W. J.

Crack growth rates of nickel alloy welds in a PWR environment.

Description: In light water reactors (LWRs), vessel internal components made of nickel-base alloys are susceptible to environmentally assisted cracking. A better understanding of the causes and mechanisms of this cracking may permit less conservative estimates of damage accumulation and requirements on inspection intervals. A program is being conducted at Argonne National Laboratory to evaluate the resistance of Ni alloys and their welds to environmentally assisted cracking in simulated LWR coolant environments. This report presents crack growth rate (CGR) results for Alloy 182 shielded-metal-arc weld metal in a simulated pressurized water reactor (PWR) environment at 320 C. Crack growth tests were conducted on 1-T compact tension specimens with different weld orientations from both double-J and deep-groove welds. The results indicate little or no environmental enhancement of fatigue CGRs of Alloy 182 weld metal in the PWR environment. The CGRs of Alloy 182 in the PWR environment are a factor of {approx}5 higher than those of Alloy 600 in air under the same loading conditions. The stress corrosion cracking for the Alloy 182 weld is close to the average behavior of Alloy 600 in the PWR environment. The weld orientation was found to have a profound effect on the magnitude of crack growth: cracking was found to propagate faster along the dendrites than across them. The existing CGR data for Ni-alloy weld metals have been compiled and evaluated to establish the effects of key material, loading, and environmental parameters on CGRs in PWR environments. The results from the present study are compared with the existing CGR data for Ni-alloy welds to determine the relative susceptibility of the specific Ni-alloy weld to environmentally enhanced cracking.
Date: May 31, 2006
Creator: Alexandreanu, B.; Chopra, O. K.; Shack, W. J. & Technology, Energy

Automatic differentiation of codes in nuclear engineering applications.

Description: We discuss our experience in applying automatic differentiation (AD) to calculations in nuclear reactor applications. The document is intended as a guideline on how to apply AD to Fortran codes with significant legacy components; it is also a part of a larger research effort in uncertainty quantification using sampling methods augmented with derivative information. We provide a brief theoretical description of the concept of AD, explain the necessary changes in the code structure, and remark on possible ways to deal with non-differentiability. Numerical experiments were carried out where the derivative of a functional subset of the SAS4A/SASSYS code was computed in forward mode with several AD tools. The results are in good agreement with both the real and complex finite-difference approximations of the derivative.
Date: December 1, 2009
Creator: Alexe, M.; Roderick, O.; Utke, J.; Anitescu, M.; Hovland, P.; Fanning, T. et al.

OSMOSE experiment representativity studies.

Description: The OSMOSE program aims at improving the neutronic predictions of advanced nuclear fuels through measurements in the MINERVE facility at the CEA-Cadarache (France) on samples containing the following separated actinides: Th-232, U-233, U-234, U-235, U-236, U-238, Np-237, Pu-238, Pu-239, Pu-240, Pu-241, Pu-242, Am-241, Am-243, Cm-244 and Cm-245. The goal of the experimental measurements is to produce a database of reactivity-worth measurements in different neutron spectra for the separated heavy nuclides. This database can then be used as a benchmark for integral reactivity-worth measurements to verify and validate reactor analysis codes and integral cross-section values for the isotopes tested. In particular, the OSMOSE experimental program will produce very accurate sample reactivity-worth measurements for a series of actinides in various spectra, from very thermalized to very fast. The objective of the analytical program is to make use of the experimental data to establish deficiencies in the basic nuclear data libraries, identify their origins, and provide guidelines for nuclear data improvements in coordination with international programs. To achieve the proposed goals, seven different neutron spectra can be created in the MINERVE facility: UO2 dissolved in water (representative of over-moderated LWR systems), UO2 matrix in water (representative of LWRs), a mixed oxide fuel matrix, two thermal spectra containing large epithermal components (representative of under-moderated reactors), a moderated fast spectrum (representative of fast reactors which have some slowing down in moderators such as lead-bismuth or sodium), and a very hard spectrum (representative of fast reactors with little moderation from reactor coolant). The different spectra are achieved by changing the experimental lattice within the MINERVE reactor. The experimental lattice is the replaceable central part of MINERVE, which establishes the spectrum at the sample location. This configuration leads to a uniform well-behaved system so that the reactor configuration is in the fundamental mode. In fact, an important ...
Date: October 10, 2007
Creator: Aliberti, G. & Klann, R.

Sensitivity and representativity analysis of past experiments with respect to ABTR system.

Description: 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).
Date: August 29, 2007
Creator: Aliberti, G.; Palmiotti, G. & Salvatores, M.

Impact of spectral transition zone in reference ENIGMA configuration.

Description: 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 of the GFR and sodium-cooled fast reactor (SFR) to levels that allow industries to be able to make an informed choice of the fast spectrum system that would provide a sustainable nuclear energy generation option for the future. Current planning calls for the construction of a small experimental research and technology development reactor (ETDR) around 2009 (first operation in 2015) at CEA-Cadarache, France. This would be followed by the construction of a GFR industrial prototype, around 2025. In support of the GFR development efforts, a new physics experimental program (called ENIGMA, Experimental Neutron Investigation of Gas-cooled reactor at Masurca) is ...
Date: October 5, 2005
Creator: Aliberti, G.; Palmiotti, G.; Taiwo, T. A. & Tommasi, J.

Update of distillers grains displacement ratios for corn ethanol life-cycle analysis.

Description: Production of corn-based ethanol (either by wet milling or by dry milling) yields the following coproducts: distillers grains with solubles (DGS), corn gluten meal (CGM), corn gluten feed (CGF), and corn oil. Of these coproducts, all except corn oil can replace conventional animal feeds, such as corn, soybean meal, and urea. Displacement ratios of corn-ethanol coproducts including DGS, CGM, and CGF were last updated in 1998 at a workshop at Argonne National Laboratory on the basis of input from a group of experts on animal feeds, including Prof. Klopfenstein (University of Nebraska, Lincoln), Prof. Berger (University of Illinois, Urbana-Champaign), Mr. Madson (Rapheal Katzen International Associates, Inc.), and Prof. Trenkle (Iowa State University) (Wang 1999). Table 1 presents current dry milling coproduct displacement ratios being used in the GREET model. The current effort focuses on updating displacement ratios of dry milling corn-ethanol coproducts used in the animal feed industry. Because of the increased availability and use of these coproducts as animal feeds, more information is available on how these coproducts replace conventional animal feeds. To glean this information, it is also important to understand how industry selects feed. Because of the wide variety of available feeds, animal nutritionists use commercial software (such as Brill Formulation{trademark}) for feed formulation. The software recommends feed for the animal on the basis of the nutritional characteristics, availability, and price of various animal feeds, as well as on the nutritional requirements of the animal (Corn Refiners Association 2006). Therefore, feed formulation considers both the economic and the nutritional characteristics of feed products.
Date: February 1, 2011
Creator: Arora, S.; Wu, M.; Wang, M. & Systems, Energy

U.S. Department of Energy clean cities five-year strategic plan.

Description: Clean Cities is a government-industry partnership sponsored by the U.S. Department of Energy's (DOE) Vehicle Technologies Program, which is part of the Office of Energy Efficiency and Renewable Energy. Working with its network of about 100 local coalitions and more than 6,500 stakeholders across the country, Clean Cities delivers on its mission to reduce petroleum consumption in on-road transportation. In its work to reduce petroleum use, Clean Cities focuses on a portfolio of technologies that includes electric drive, propane, natural gas, renewable natural gas/biomethane, ethanol/E85, biodiesel/B20 and higher-level blends, fuel economy, and idle reduction. Over the past 17 years, Clean Cities coalitions have displaced more than 2.4 billion gallons of petroleum; they are on track to displace 2.5 billion gallons of gasoline per year by 2020. This Clean Cities Strategic Plan lays out an aggressive five-year agenda to help DOE Clean Cities and its network of coalitions and stakeholders accelerate the deployment of alternative fuel and advanced technology vehicles, while also expanding the supporting infrastructure to reduce petroleum use. Today, Clean Cities has a far larger opportunity to make an impact than at any time in its history because of its unprecedented $300 million allocation for community-based deployment projects from the American Recovery and Reinvestment Act (ARRA) (see box below). Moreover, the Clean Cities annual budget has risen to $25 million for FY2010 and $35 million has been requested for FY2011. Designed as a living document, this strategic plan is grounded in the understanding that priorities will change annually as evolving technical, political, economic, business, and social considerations are woven into project decisions and funding allocations. The plan does not intend to lock Clean Cities into pathways that cannot change. Instead, with technology deployment at its core, the plan serves as a guide for decision-making at both the national and ...
Date: February 15, 2011
Creator: Associates, Cambridge Concord

Beam intensity expectations for a 200 MeV/u 400 kW radioactive beam driver accelerator.

Description: The expected radioactive ion production rate for a 200 MeV/u 400 kW driver linac using four different production methods is discussed. For each isotope the optimum method is identified and the rate is calculated based on different model assumptions, empirical observation and extrapolations. The results are compared to the rates expected for a 550 MeV proton driver machine with a beam power of 50 kW, as well as the full RIA facility with a 400 MeV/u 400 kW production linac.
Date: December 31, 2006
Creator: Back, B. B.; Jiang, C. L. & Physics

Argonne Laboratory Computing Resource Center - FY2004 Report.

Description: In the spring of 2002, Argonne National Laboratory founded the Laboratory Computing Resource Center, and in April 2003 LCRC began full operations with Argonne's first teraflops computing cluster. The LCRC's driving mission is to enable and promote computational science and engineering across the Laboratory, primarily by operating computing facilities and supporting application use and development. This report describes the scientific activities, computing facilities, and usage in the first eighteen months of LCRC operation. In this short time LCRC has had broad impact on programs across the Laboratory. The LCRC computing facility, Jazz, is available to the entire Laboratory community. In addition, the LCRC staff provides training in high-performance computing and guidance on application usage, code porting, and algorithm development. All Argonne personnel and collaborators are encouraged to take advantage of this computing resource and to provide input into the vision and plans for computing and computational analysis at Argonne. Steering for LCRC comes from the Computational Science Advisory Committee, composed of computing experts from many Laboratory divisions. The CSAC Allocations Committee makes decisions on individual project allocations for Jazz.
Date: April 14, 2005
Creator: Bair, R.

Argonne's Laboratory computing center - 2007 annual report.

Description: Argonne National Laboratory founded the Laboratory Computing Resource Center (LCRC) in the spring of 2002 to help meet pressing program needs for computational modeling, simulation, and analysis. The guiding mission is to provide critical computing resources that accelerate the development of high-performance computing expertise, applications, and computations to meet the Laboratory's challenging science and engineering missions. In September 2002 the LCRC deployed a 350-node computing cluster from Linux NetworX to address Laboratory needs for mid-range supercomputing. This cluster, named 'Jazz', achieved over a teraflop of computing power (1012 floating-point calculations per second) on standard tests, making it the Laboratory's first terascale computing system and one of the 50 fastest computers in the world at the time. Jazz was made available to early users in November 2002 while the system was undergoing development and configuration. In April 2003, Jazz was officially made available for production operation. Since then, the Jazz user community has grown steadily. By the end of fiscal year 2007, there were over 60 active projects representing a wide cross-section of Laboratory expertise, including work in biosciences, chemistry, climate, computer science, engineering applications, environmental science, geoscience, information science, materials science, mathematics, nanoscience, nuclear engineering, and physics. Most important, many projects have achieved results that would have been unobtainable without such a computing resource. The LCRC continues to foster growth in the computational science and engineering capability and quality at the Laboratory. Specific goals include expansion of the use of Jazz to new disciplines and Laboratory initiatives, teaming with Laboratory infrastructure providers to offer more scientific data management capabilities, expanding Argonne staff use of national computing facilities, and improving the scientific reach and performance of Argonne's computational applications. Furthermore, recognizing that Jazz is fully subscribed, with considerable unmet demand, the LCRC has framed a 'path forward' for additional computing resources.
Date: May 28, 2008
Creator: Bair, R. & Pieper, G. W.

Argonne's Laboratory Computing Resource Center 2009 annual report.

Description: Now in its seventh year of operation, the Laboratory Computing Resource Center (LCRC) continues to be an integral component of science and engineering research at Argonne, supporting a diverse portfolio of projects for the U.S. Department of Energy and other sponsors. The LCRC's ongoing mission is to enable and promote computational science and engineering across the Laboratory, primarily by operating computing facilities and supporting high-performance computing application use and development. This report describes scientific activities carried out with LCRC resources in 2009 and the broad impact on programs across the Laboratory. The LCRC computing facility, Jazz, is available to the entire Laboratory community. In addition, the LCRC staff provides training in high-performance computing and guidance on application usage, code porting, and algorithm development. All Argonne personnel and collaborators are encouraged to take advantage of this computing resource and to provide input into the vision and plans for computing and computational analysis at Argonne. The LCRC Allocations Committee makes decisions on individual project allocations for Jazz. Committee members are appointed by the Associate Laboratory Directors and span a range of computational disciplines. The 350-node LCRC cluster, Jazz, began production service in April 2003 and has been a research work horse ever since. Hosting a wealth of software tools and applications and achieving high availability year after year, researchers can count on Jazz to achieve project milestones and enable breakthroughs. Over the years, many projects have achieved results that would have been unobtainable without such a computing resource. In fiscal year 2009, there were 49 active projects representing a wide cross-section of Laboratory research and almost all research divisions.
Date: May 13, 2011
Creator: Bair, R. B. (CLS-CI)

Argonne's Laboratory Computing Resource Center : 2005 annual report.

Description: Argonne National Laboratory founded the Laboratory Computing Resource Center in the spring of 2002 to help meet pressing program needs for computational modeling, simulation, and analysis. The guiding mission is to provide critical computing resources that accelerate the development of high-performance computing expertise, applications, and computations to meet the Laboratory's challenging science and engineering missions. The first goal of the LCRC was to deploy a mid-range supercomputing facility to support the unmet computational needs of the Laboratory. To this end, in September 2002, the Laboratory purchased a 350-node computing cluster from Linux NetworX. This cluster, named 'Jazz', achieved over a teraflop of computing power (10{sup 12} floating-point calculations per second) on standard tests, making it the Laboratory's first terascale computing system and one of the fifty fastest computers in the world at the time. Jazz was made available to early users in November 2002 while the system was undergoing development and configuration. In April 2003, Jazz was officially made available for production operation. Since then, the Jazz user community has grown steadily. By the end of fiscal year 2005, there were 62 active projects on Jazz involving over 320 scientists and engineers. These projects represent a wide cross-section of Laboratory expertise, including work in biosciences, chemistry, climate, computer science, engineering applications, environmental science, geoscience, information science, materials science, mathematics, nanoscience, nuclear engineering, and physics. Most important, many projects have achieved results that would have been unobtainable without such a computing resource. The LCRC continues to improve the computational science and engineering capability and quality at the Laboratory. Specific goals include expansion of the use of Jazz to new disciplines and Laboratory initiatives, teaming with Laboratory infrastructure providers to develop comprehensive scientific data management capabilities, expanding Argonne staff use of national computing facilities, and improving the scientific reach and performance of ...
Date: June 30, 2007
Creator: Bair, R. B.; Coghlan, S. C; Kaushik, D. K.; Riley, K. R.; Valdes, J. V. & Pieper, G. P.