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Methodology for characterizing modeling and discretization uncertainties in computational simulation

Description: This research effort focuses on methodology for quantifying the effects of model uncertainty and discretization error on computational modeling and simulation. The work is directed towards developing methodologies which treat model form assumptions within an overall framework for uncertainty quantification, for the purpose of developing estimates of total prediction uncertainty. The present effort consists of work in three areas: framework development for sources of uncertainty and error in the modeling and simulation process which impact model structure; model uncertainty assessment and propagation through Bayesian inference methods; and discretization error estimation within the context of non-deterministic analysis.
Date: March 1, 2000
Creator: ALVIN,KENNETH F.; OBERKAMPF,WILLIAM L.; RUTHERFORD,BRIAN M. & DIEGERT,KATHLEEN V.
Partner: UNT Libraries Government Documents Department
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Operational Test Report for the 241-AZ-101 Ultrasonic Interface Level Analyzer

Description: This document comprises the Operational Test Report for the 241-AZ-101 Ultrasonic Interface Level Analyzer. The objective of the testing was to verify that all equipment and components functioned as designed following construction completion and turnover to operations.
Date: March 28, 2000
Creator: ANDREWS, J.E.
Partner: UNT Libraries Government Documents Department
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Tank Characterization Report for Double Shell Tank (DST) 241-AN-107

Description: This report interprets information about the tank answering a series of six questions covering areas such as information drivers, tank history, tank comparisons, disposal implications, data quality and quantity, and unique aspects of the tank.
Date: March 23, 2000
Creator: Adams, M. R.
Partner: UNT Libraries Government Documents Department
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Calibrated Properties Model

Description: The purpose of this Analysis/Model Report (AMR) is to document the Calibrated Properties Model that provides calibrated parameter sets for unsaturated zone (UZ) flow and transport process models for the Yucca Mountain Site Characterization Project (YMP). This work was performed in accordance with the ''AMR Development Plan for U0035 Calibrated Properties Model REV00. These calibrated property sets include matrix and fracture parameters for the UZ Flow and Transport Model (UZ Model), drift seepage models, drift-scale and mountain-scale coupled-processes models, and Total System Performance Assessment (TSPA) models as well as Performance Assessment (PA) and other participating national laboratories and government agencies. These process models provide the necessary framework to test conceptual hypotheses of flow and transport at different scales and predict flow and transport behavior under a variety of climatic and thermal-loading conditions.
Date: March 12, 2000
Creator: Ahlers, C. & Liu, H.
Partner: UNT Libraries Government Documents Department
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Beyond the dna: a prototype for functional genomics

Description: A prototype oligonucleotide ''functional chip'' has been developed to screen novel DNA repair proteins for their ability to bind or alter different forms of DNA. This chip has been developed as a functional genomics screen for analysis of protein-DNA interactions for novel proteins identified from the Human Genome Project The process of novel gene identification that has ensued as a consequence of available sequence information is remarkable. The challenge how lies in determining the function of newly identified gene products in a time-and cost-effective high-throughput manner. The functional chip is generated by the robotic application of DNA spotted in a microarray format onto a glass slide. Individual proteins are then analyzed against the different form of DNA bound to the slide. Several prototype functional chips were designed to contain various DNA fragments tethered to a glass slide for analysis of protein-DNA binding or enzymatic activity of known proteins. The technology has been developed to screen novel, putative DNA repair proteins for their ability to bind various types of DNA alone and in concert with protein partners. An additional scheme has been devised to screen putative repair enzymes for their ability to process different types of DNA molecules. Current methods to analyze gene expression primarily utilize either of two technologies. The oligonucleotide chip, pioneered by Fodor and co-workers and Affymetrix, Inc., consists of greater than 64,000 oligonucleotides attached in situ to a glass support. The oligonucleotide chip has been used primarily to identify specific mutations in a given gene by hybridization against a fluorescently-labeled substrate. The second method is the microarray, whereby DNA targets are systematically arranged on a glass slide and then hybridized with fluorescently-labeled complex targets for gene expression analysis (Jordan, 1998). By this technique, a large amount of information can be obtained examining global differences in gene expression …
Date: March 2, 2000
Creator: Albala, J
Partner: UNT Libraries Government Documents Department
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Tanks Focus Area Site Needs Assessment FY 2000

Description: This document summarizes the Tanks Focus Area (TFA's) process of collecting, analyzing, and responding to high-level radioactive tank waste science and technology needs developed from across the DOE complex in FY 2000. The document also summarizes each science and technology need, and provides an initial prioritization of TFA's projected work scope for FY 2001 and FY 2002.
Date: March 10, 2000
Creator: Allen, Robert W.
Partner: UNT Libraries Government Documents Department
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Hydrogen generation in tru waste transportation packages

Description: This document addresses hydrogen generation in TRU waste transportation packages. The potential sources of hydrogen generation are summarized with a special emphasis on radiolysis. After defining various TRU wastes according to groupings of material types, bounding radiolytic G-values are established for each waste type. Analytical methodologies are developed for prediction of hydrogen gas concentrations for various packaging configurations in which hydrogen generation is due to radiolysis. Representative examples are presented to illustrate how analytical procedures can be used to estimate the hydrogen concentration as a function of time. Methodologies and examples are also provided to show how the time to reach a flammable hydrogen concentration in the innermost confinement layer can be estimated. Finally, general guidelines for limiting the hydrogen generation in the payload and hydrogen accumulation in the innermost confinement layer are described.
Date: March 27, 2000
Creator: Anderson, B; Sheaffer, M K & Fischer, L E
Partner: UNT Libraries Government Documents Department
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Customer satisfaction assessment at the Pacific Northwest National Laboratory

Description: The Pacific Northwest National Laboratory (PNNL) is developing and implementing a customer satisfaction assessment program (CSAP) to assess the quality of research and development provided by the laboratory. This report presents the customer survey component of the PNNL CSAP. The customer survey questionnaire is composed of two major sections: Strategic Value and Project Performance. Both sections contain a set of questions that can be answered with a 5-point Likert scale response. The strategic value section consists of five questions that are designed to determine if a project directly contributes to critical future national needs. The project Performance section consists of nine questions designed to determine PNNL performance in meeting customer expectations. A statistical model for customer survey data is developed and this report discusses how to analyze the data with this model. The properties of the statistical model can be used to establish a gold standard or performance expectation for the laboratory, and then to assess progress. The gold standard is defined using laboratory management input--answers to four questions, in terms of the information obtained from the customer survey: (1) What should the average Strategic Value be for the laboratory project portfolio? (2) What Strategic Value interval should include most of the projects in the laboratory portfolio? (3) What should average Project Performance be for projects with a Strategic Value of about 2? (4) What should average Project Performance be for projects with a Strategic Value of about 4? To be able to provide meaningful answers to these questions, the PNNL customer survey will need to be fully implemented for several years, thus providing a link between management perceptions of laboratory performance and customer survey data.
Date: March 23, 2000
Creator: Anderson, DN & Sours, ML
Partner: UNT Libraries Government Documents Department
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Customer Satisfaction Assessment at the Pacific Northwest National Laboratory

Description: The Pacific Northwest National Laboratory (PNNL) is developing and implementing a customer satisfaction assessment program (CSAP) to assess the quality of research and development provided by the laboratory. We present the customer survey component of the PNNL CSAP. The customer survey questionnaire is composed of 2 major sections, Strategic Value and Project Performance. The Strategic Value section of the questionnaire consists of 5 questions that can be answered with a 5 point Likert scale response. These questions are designed to determine if a project is directly contributing to critical future national needs. The Project Performance section of the questionnaire consists of 9 questions that can be answered with a 5 point Likert scale response. These questions determine PNNL performance in meeting customer expectations. Many approaches could be used to analyze customer survey data. We present a statistical model that can accurately capture the random behavior of customer survey data. The properties of this statistical model can be used to establish a "gold standard'' or performance expectation for the laboratory, and then assess progress. The gold standard is defined from input from laboratory management --- answers to 4 simple questions, in terms of the information obtained from the CSAP customer survey, define the standard: *What should the average Strategic Value be for the laboratory project portfolio? *What Strategic Value interval should include most of the projects in the laboratory portfolio? *What should average Project Performance be for projects with a Strategic Value of about 2? *What should average Project Performance be for projects with a Strategic Value of about 4? We discuss how to analyze CSAP customer survey data with this model. Our discussion will include "lessons learned" and issues that can invalidate this type of assessment.
Date: March 20, 2000
Creator: Anderson, Dale N. & Sours, Mardell L.
Partner: UNT Libraries Government Documents Department
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LOW TEMPERATURE CATHODE SUPPORTED ELECTROLYTES

Description: This project has three main goals: Thin Films Studies, Preparation of Graded Porous Substrates and Basic Electrical Characterization and Testing of Planar Single Cells. During this time period substantial progress has been made in developing low temperature deposition techniques to produce dense, nanocrystalline yttrium-stabilized zirconia films on both dense oxide and polymer substrates. Progress has been made in the preparation and characterization of thin electrolytes and porous LSM substrates. Both of these tasks are essentially on or ahead of schedule. In our proposal, we suggested that the ZrO{sub 2}/Sc system needed to be considered as a candidate as a thin electrolyte. This was because microcrystalline ZrO{sub 2}/Sc has a significantly higher ionic conductivity than YSZ, particularly at the lower temperatures. As a result, some 0.5 micron thick film of ZrO{sub 2}/16% Sc on an alumina substrate (grain size 20nm) was prepared and the electrical conductivity measured as a function of temperature and oxygen activity. The Sc doped ZrO{sub 2} certainly has a higher conductivity that either 20nm or 2400nm YSZ, however, electronic conductivity dominates the conductivity for oxygen activities below 10{sup -15}. Whereas for YSZ, electronic conductivity is not a problem until the oxygen activity decreases below 10{sup -25}. These initial results show that the ionic conductivity of 20nm YSZ and 20nm ZrO{sub 2}/16% Sc are essentially the same and the enhanced conductivity which is observed for Sc doping in microcrystalline specimens is not observed for the same composition when it is nanocrystalline. In addition they show that the electronic conductivity of Sc doped ZrO{sub 2} is at least two orders of magnitude higher than that observed for YSZ. The conclusion one reaches is that for 0.5 to 1 micron thick nanocrystalline films, Sc doping of ZrO{sub 2} has no benefits compared to YSZ. As a result, electrolyte films of …
Date: March 31, 2000
Creator: Anderson, Harlan U.
Partner: UNT Libraries Government Documents Department
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Recovery of Valuable Chlorosilane Intermediates by a Novel Waste Conversion Process, Phase IIIB (Progress)

Description: From June 1998 through September 1999, direct process residue (DPR, a waste byproduct) hydrogenolysis has been studied at a large pilot plant within Dow Corning's Carrollton, KY, facility. The system reacts filtered DPR with chlorosilane monomers at high temperature and pressure. The process routinely demonstrates DPR conversions from 59% to 89% on a monthly basis. The reaction product contains high concentrations of valuable monomers such as dimethyldichlorosilane and methyldichlorosilane. An expansion of the current unit's capacity is planned to be on-line by the end of CY2000. Furthermore, a larger DPR hydrogenolysis reactor based on these results is being designed for operation in Europe at Dow Corning's Barry, Wales, site.
Date: March 31, 2000
Creator: Anderson, Kurt E.
Partner: UNT Libraries Government Documents Department
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Invert Effective Thermal Conductivity Calculation

Description: The objective of this calculation is to evaluate the temperature-dependent effective thermal conductivities of a repository-emplaced invert steel set and surrounding ballast material. The scope of this calculation analyzes a ballast-material thermal conductivity range of 0.10 to 0.70 W/m {center_dot} K, a transverse beam spacing range of 0.75 to 1.50 meters, and beam compositions of A 516 carbon steel and plain carbon steel. Results from this calculation are intended to support calculations that identify waste package and repository thermal characteristics for Site Recommendation (SR). This calculation was developed by Waste Package Department (WPD) under Office of Civilian Radioactive Waste Management (OCRWM) procedure AP-3.12Q, Revision 1, ICN 0, Calculations.
Date: March 17, 2000
Creator: Anderson, M. J.; Wade, H. M. & Mitchell, T. L.
Partner: UNT Libraries Government Documents Department
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Complexants for actinide element coordination and immobilization

Description: The goal of this project is to develop inorganic metal oxide clusters known as polyoxoanions (POAs) as complexants for the immobilization of actinide (An) ions from high-level waste (HLW). A diverse array of rugged isopolyoxoanions, [M{sub x}O{sub y}]{sup z{minus}}, and heteropolyoxoanions, [X{sub a}M{sub b}O{sub c}]{sup d{minus}}, comprised of M = V, Mo, W and X = Si, P polyhedra will be investigated for their ability to incarcerate An ions. The research combines two objectives--An-POA coordination and An-POA containment. The first involves the synthesis, isolation, and characterization of POAs that can selectively bind An ions to form stable An-POA complexes in alkaline and acidic solutions. The second involves investigations of the thermochemistry of the An-POA complexes under vitrification conditions germane to the formation of proposed HLW forms, such as borosilicate glass. The approach is envisioned to provide two levels of An encapsulation for maximum stability and durability as well as the potential to incorporate higher levels of An ions (particularly Pu) in waste forms than now possible. Such versatility bodes well for the potential application of POAs as An complexants in technology of significance to the environmental management of HLW. This report summarizes work performed since the commencement of the project on 1 October 1998. As an overview of the research progress-to-date (15 June 1999), the strategic point is that selective binding of An ions by POAs depends upon the An valence. Actinide reduction-oxidation (redox) chemistry is a pivotal property in the proposed, rational use of POAs as coordinating ligands for An ions. Because POAs are oxidants and the transuranium elements are multivalent, the combined redox chemistry is rich and, oftentimes, confusing. The evidence of contrasting and conflicting valence behavior makes it difficult, if not impossible, to make broad generalizations about the collective properties of An-POA systems without appropriate experimentation. To …
Date: March 14, 2000
Creator: Antonio, M.R.; Soderholm, L.; Williams, C.W. & Francesconi, L.C.
Partner: UNT Libraries Government Documents Department
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ADVANCED SORBENT DEVELOPMENT PROGRAM DEVELOPMENT OF SORBENTS FOR MOVING-BED AND FLUIDIZED-BED APPLICATIONS

Description: The integrated gasification combined cycle (IGCC) power system using high-temperature coal gas cleanup is one of the most promising advanced technologies for the production of electric power from coal in an environmentally acceptable manner. Unlike conventional low-temperature cleanup systems that require costly heat exchangers, high-temperature coal gas cleanup systems can be operated near 482-538 C (900-1000 F) or higher, conditions that are a closer match with the gasifier and turbine components in the IGCC system, thus resulting is a more efficient overall system. GE is developing a moving-bed, high-temperature desulfurization system for the IGCC power cycle in which zinc-based regenerable sorbents are currently being used as desulfurization sorbents. Zinc titanate and other proprietary zinc-based oxides are being considered as sorbents for use in the Clean Coal Technology Demonstration Program at Tampa Electric Co.'s (TECo) Polk Power Station. Under cold startup conditions at TECo, desulfurization and regeneration may be carried out at temperatures as low as 343 C (650 F), hence a versatile sorbent is desirable to perform over this wide temperature range. A key to success in the development of high-temperature desulfurization systems is the matching of sorbent properties for the selected process operating conditions, namely, sustainable desulfurization kinetics, high sulfur capacity, and mechanical durability over multiple cycles. Additionally, the sulfur species produced during regeneration of the sorbent must be in a form compatible with sulfur recovery systems, such as sulfuric acid or elemental sulfur processes. The overall objective of this program is to develop regenerable sorbents for hydrogen sulfide removal from coal-derived fuel gases in the temperature range 343-538 C (650-1000 F). Two categories of reactor configurations are being considered: moving-bed reactors and fluidized-bed (bubbling and circulating) reactors. In addition, a cost assessment and a market plan for large-scale fabrication of sorbents were developed. As an optional task, long-term …
Date: March 31, 2000
Creator: Ayala, R.E; Venkataramani, V.S.; Abbasian, Javad; Slimane, Rachid B.; Williams, Brett E.; Zarnegar, Minoo K. et al.
Partner: UNT Libraries Government Documents Department
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Productivity and injectivity of horizontal wells

Description: One of the key issues addressed was pressure drop in long horizontal wells and its influence on well performance. Very little information is available in the literature on flow in pipes with influx through pipe walls. Virtually all of this work has been in small diameter pipes and with single-phase flow. In order to address this problem new experimental data on flow in horizontal and near horizontal wells have been obtained. Experiments were conducted at an industrial facility on typical 6 1/8 ID, 100 feet long horizontal well model. The new data along with available information in the literature have been used to develop new correlations and mechanistic models. Thus it is now possible to predict, within reasonable accuracy, the effect of influx through the well on pressure drop in the well.
Date: March 6, 2000
Creator: Aziz, Khalid
Partner: UNT Libraries Government Documents Department
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Requirements Analysis Study for Master Pump Shutdown System Project Development Specification [SEC 1 and 2]

Description: This document has been updated during the definitive design portion of the first phase of the W-314 Project to capture additional software requirements and is planned to be updated during the second phase of the W-314 Project to cover the second phase of the Project's scope. The objective is to provide requirement traceability by recording the analysis/basis for the functional descriptions of the master pump shutdown system. This document identifies the sources of the requirements and/or how these were derived. Each requirement is validated either by quoting the source or an analysis process involving the required functionality, performance characteristics, operations input or engineering judgment.
Date: March 24, 2000
Creator: BEVINS, R.R.
Partner: UNT Libraries Government Documents Department
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Subsurface Transport Over Reactive Multiphases (STORM): A general, coupled, nonisothermal multiphase flow, reactive transport, and porous medium alteration simulator, Version 2 user's guide

Description: The Hanford Site, in southeastern Washington State, has been used extensively to produce nuclear materials for the US strategic defense arsenal by the Department of Energy (DOE) and its predecessors, the US Atomic Energy Commission and the US Energy Research and Development Administration. A large inventory of radioactive and mixed waste has accumulated in 177 buried single- and double shell tanks. Liquid waste recovered from the tanks will be pretreated to separate the low-activity fraction from the high-level and transuranic wastes. Vitrification is the leading option for immobilization of these wastes, expected to produce approximately 550,000 metric tons of Low Activity Waste (LAW) glass. This total tonnage, based on nominal Na{sub 2}O oxide loading of 20% by weight, is destined for disposal in a near-surface facility. Before disposal of the immobilized waste can proceed, the DOE must approve a performance assessment, a document that described the impacts, if any, of the disposal facility on public health and environmental resources. Studies have shown that release rates of radionuclides from the glass waste form by reaction with water determine the impacts of the disposal action more than any other independent parameter. This report describes the latest accomplishments in the development of a computational tool, Subsurface Transport Over Reactive Multiphases (STORM), Version 2, a general, coupled non-isothermal multiphase flow and reactive transport simulator. The underlying mathematics in STORM describe the rate of change of the solute concentrations of pore water in a variably saturated, non-isothermal porous medium, and the alteration of waste forms, packaging materials, backfill, and host rocks.
Date: March 7, 2000
Creator: Bacon, D. H.; White, M. D. & McGrail, B. P.
Partner: UNT Libraries Government Documents Department
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Double Shell Tank (DST) Monitor and Control Subsystem Definition Report

Description: The system description of the Double-Shell Tank (DST) Monitor and Control Subsystem establishes the system boundaries and describes the interface of the DST Monitor and Control Subsystem with new and existing systems that are required to accomplish the Waste Feed Delivery (WFD) mission.
Date: March 16, 2000
Creator: Bafus, Ron R.
Partner: UNT Libraries Government Documents Department
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Small modular biopower initiative Phase 1 feasibility studies executive summaries

Description: The Phase 1 objective is a feasibility study that includes a market assessment, resource assessment, preliminary system design, and assessment of relevant environmental and safety considerations, and evaluation of financial and cost issues, and a preliminary business plan and commercialization strategy. Each participating company will share at least 20% of the cost of the first phase.
Date: March 6, 2000
Creator: Bain, R.
Partner: UNT Libraries Government Documents Department
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Metrology Measurement Capabilities

Description: This document contains descriptions of Federal Manufacturing and Technologies (FM and T) Metrology capabilities, traceability flow charts, and the measurement uncertainty of each measurement capability. Metrology provides NIST traceable precision measurements or equipment calibration for a wide variety of parameters, ranges, and state-of-the-art uncertainties in laboratories that conform to the requirements of the Department of Energy Development and Production Manual Chapter 8.4, and ANSI/NCSL Z540-1 (equivalent to ISO Guide 25). FM and T Metrology laboratories are accredited by NVLAP for the parameters, ranges, and uncertainties listed in the specific scope of accreditation under NVLAP Lab code 200108-0. These parameters are summarized.
Date: March 23, 2000
Creator: Barnes, L. M.
Partner: UNT Libraries Government Documents Department
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