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Activities and Operations of Argonne's Advanced Computing Research Facility : February 1990 through April 1991

Description: This report reviews the activities and operations of the Advanced Computing Research Facility (ACRF) from February 1990 through April 1991. The ACRF is operated by the Mathematics and Computer Science Division at Argonne National Laboratory. The facility's principal objective is to foster research in parallel computing. Toward this objective, the ACRF operates experimental advanced computers, supports investigations in parallel computing, and sponsors technology transfer efforts to industry and academia.
Date: May 1991
Creator: Pieper, Gail W.

Annual Technical Report

Description: Highlights of the Chemical Technology Division's activities during 1990, including electrochemical technology and advanced batteries and fuel cells, technology for coal-fired magnetohydrodynamics and fluidized-bed combustion, methods for recovery of energy from municipal waste, and techniques for treatment of hazardous organic waste, the reaction of nuclear waste glass and spent fuel under conditions expected for a high-level waste repository.
Date: May 1991
Creator: Argonne National Laboratory. Chemical Technology Division.

The Application of Automated Reasoning to Proof Translation and to Finding Proofs with Specified Properties: a Case Study in Many-Valued Sentential Calculus

Description: In both mathematics and logic, many theorems exist such that each can be proved in entirely different ways. For a striking example, there exist theorems from group theory that can be proved by relying solely on equality and (from the viewpoint of automated reasoning) the use of paramodulation, but can also be proved in a notation in which equality is totally absent and the inference rule is condensed detachment (captured with a single clause and the rule hyper-resolution). A study of such examples immediately shows how far from obvious is the problem of producing a proof in one system even in the presence of a proof in another; such problems can be viewed as ones of translation, where the rules of translation and the translation itself are frequently difficult to obtain. In this report, we discuss in detail various techniques that can be applied by the automated reasoning program OTTER to address the translation problem to obtain a proof in one notation and inference system given a proof in a completely different notation and inference system. To illustrate the techniques, we present a full treatment culminating in a successful translation'' of a proof of a theorem from many-valued sentential calculus. To our delight and amazement, instead of the expected translation consisting of approximately 175 applications of condensed detachment, OTTER obtained a far shorter proof. We also touch on techniques for finding shorter proofs and techniques for finding proofs satisfying some given property.
Date: August 1991
Creator: Wos, Larry & McCune, William W.

Argonne National Laboratory-East Site Environmental Report for Calendar Year

Description: This report discusses the results of the environmental protection program at Argonne National Laboratory-East (ANL) for 1990. To evaluate the effects of ANL operations on the environment, samples of environmental media collected on the site, at the site boundary, and off the ANL site were analyzed and compared to applicable guidelines and standards.
Date: July 1991
Creator: Golchert, N. W.; Duffy, T. L. & Moos, L. P.

Automated Insertion of Sequences into a Ribosomal RNA Alignment: an Application of Computational Linguistics in Molecular Biology

Description: This thesis involved the construction of (1) a grammar that incorporates knowledge on base invariancy and secondary structure in a molecule and (2) a parser engine that uses the grammar to position bases into the structural subunits of the molecule. These concepts were combined with a novel pinning technique to form a tool that semi-automates insertion of a new species into the alignment for the 16S rRNA molecule (a component of the ribosome) maintained by Dr. Carl Woese`s group at the University of Illinois at Urbana. The tool was tested on species extracted from the alignment and on a group of entirely new species. The results were very encouraging, and the tool should be substantial aid to the curators of the 16S alignment. The construction of the grammar was itself automated, allowing application of the tool to alignments for other molecules. The logic programming language Prolog was used to construct all programs involved. The computational linguistics approach used here was found to be a useful way to attach the problem of insertion into an alignment.
Date: November 1991
Creator: Taylor, Ronald C.

Chaotic Dynamics of Loosely Supported Tubes in Crossflow

Description: By means of the unsteady-flow theory and a bilinear mathematical model, a theoretical study was conducted of the chaotic dynamics associated with the fluid-elastic instability of loosely supported tubes. Calculations were performed for the RMS of tube displacement, bifurcation diagram, phase portrait, power spectral density, and Poincare map. Analytical results show the existence of chaotic, quasi-periodic, and periodic regions when flow velocity exceeds a threshold value.
Date: July 1991
Creator: Cai, Y. & Chen, Shoei-Sheng

Chemical Alteration of Limestone and Marble Samples Exposed to Acid Rain and Weathering in the Eastern United States, 1984-1988

Description: In a long-term program that began in 1984, limestone and marble briquettes have been exposed to both anthropogenic acid deposition and natural weathering at four field sites in the eastern United States. Similar tests began at an Ohio site in 1986. Effects of exposure on the briquettes and other materials at the sites are evaluated periodically by several federal agencies cooperating in the National Acid Precipitation Assessment Program (NAPAP). Wet chemical analysis was used to detect sulfates, nitrates, fluorides, chlorides, and a series of metal cations in sequential layers of stone removed from the briquettes after field exposure. Results from the first four years of the program indicate that rinsing by rain keeps skyward-facing stone relatively clean of reaction products, especially sulfate, the most abundant product.
Date: June 1991
Creator: Reimann, K. J.

COMMIX-1AR/P. a Three-Dimensional Transient Single-Phase Computer Program for Thermal Hydraulic Analysis of Single and Multicomponent Systems

Description: The COMMIX-1AR/P computer code is designed for analyzing the steady-state and transient aspects of single-phase fluid flow and heat transfer in three spatial dimensions. This version is an extension of the modeling in COMMIX-1A to include multiple fluids in physically separate regions of the computational domain, modeling descriptions for pumps, radiation heat transfer between surfaces of the solids which are embedded in or surround the fluid, a k-{var epsilon} model for fluid turbulence, and improved numerical techniques. The porous-medium formulation in COMMIX allows the code to be applied to a wide range of problems involving both simple and complex geometrical arrangements. The basic equations, underlying assumptions, and solution techniques are presented for the entire computer code, covering both old and new features.
Date: July 1991
Creator: Blomquist, R. A.; Garner, P. L. & Gelbard, Ely M.

COMMIX-PPC. a Three-Dimensional Transient Multicomponent Computer Program for Analyzing Performance of Power Plant Condensers

Description: The COMMIX-PPC computer program is an extended and improved version of earlier COMMIX codes and is specifically designed for evaluating the thermal performance of power plant condensers. The COMMIX codes are general-purpose computer programs for the analysis of fluid flow and heat transfer in complex industrial systems. In COMMIX-PPC, two major features have been added to previously published COMMIX codes. One feature is the incorporation of one-dimensional conservation of mass, momentum, and energy equations on the tube side, and the proper accounting for the thermal interaction between shell and tube side through the porous medium approach. The other added feature is the extension of the three-dimensional conservation equations for shell-side flow to treat the flow of a multicomponent medium. COMMIX-PPC is designed to perform steady-state and transient three-dimensional analysis of fluid flow with heat transfer in a power plant condenser. However, the code is designed in a generalized fashion so that, with some modification, it can be used to analyze processes in any heat exchanger or other single-phase engineering applications.
Date: August 1991
Creator: Chien, T. H.; Domanus, H. M. & Sha, William T.

Development of a Boron-Copper Neutron Absorber Composite

Description: This report describes the fabrication of a new boron-copper neutron absorbing material that was developed to meet the upgrading needs of the Intense Pulsed Neutron Source (IPNS) at Argonne National Laboratory. To increase the intensity of the neutron beams from the IPNS, the target uranium was changed from depleted uranium to uranium enriched to 77.5% U-235. To keep the multiplication factor, k(sub eff) (number of fissions in one generation/number of fissions in preceding generation) at a safe level, a new neutron absorber material was needed. The previous materials, boral and cadmium, could not meet the new requirements and a search of the literature showed that no currently available material was acceptable.
Date: May 1991
Creator: Wiencek, T. C.; Thresh, H. R. & Summers, J. R.

Dissolution Characteristics of Mixed UO₂ Powders in J-13 Water Under Saturated Conditions

Description: The Yucca Mountain Project/Spent Fuel program at Argonne National Laboratory is designed to determine radionuclide release rates by exposing high-level waste to repository-relevant groundwater. To gain experience for the tests with spent fuel, a scoping experiment was conducted at room temperature to determine the uranium release rate from an unirradiated uranium dioxide powder mixture (14.3 wt % enrichment in uranium-235) to J-13 water under saturated conditions. Another goal set for the experiment was to develop a method for utilizing isotope dilution techniques to determine whether the dissolution rate of uranium dioxide matrix is in accordance with an existing kinetic model. Results of these analyses revealed unequal uranium dissolution rates from the enriched and depleted portions of the powder mixture because of undisclosed differences between them. Although the presence of this inhomogeneity has precluded the application of the kinetic model, it also provided an opportunity to elaborate on the utilization of isotope dilution data in recognizing and quantifying such conditions. Detailed listings of uranium release and solution chemistry data are presented. Other problems commonly associated with spent fuel, such as the effectiveness of filtering media, the existence of uranium concentration peaks during early stages of the leach tests, the need for concentration corrections due to water replenishments of sample volumes, and experience derived from isotope dilution data are discussed in the context of the present results.
Date: March 1991
Creator: Veleckis, Ewald & Hoh, J. C.

Electronic Transport Properties in Copper Oxides

Description: Oxidation of copper and electronic transport in thermally grown large-grain poly-crystals of non-stoichiometric copper oxides were studied at elevated temperatures. Thermogravimetric copper oxidation was studied in air and oxygen at temperatures between 350 and 100 C. From the temperature-dependence of oxidation rates, three different processes can be identified for the oxidation of copper: bulk diffusion, grain-boundary diffusion, and surface control with whisker growth; these occur at high, intermediate, and low temperatures, respectively. Electrical conductivity measurements as a function of temperature (350 - 1134 C) and pO2 (10(sup⁻⁸-1.0 atm) indicated intrinsic electronic conduction in CuO over the entire range of conditions. Electronic behavior of non-stoichiometric Cu(sub 2)O indicates that the charge defects are doubly ionized oxygen interstitials and holes. The calculated enthalpy of formation of oxygen ((Delta)H(sub O(sub 2))) and the hole conduction energy (E(sub H)) at constant composition for non-stoichiometric Cu2O are 2.0 (plus minus) 0.2 eV and 0.82 (plus minus) 0.02 eV, respectively.
Date: July 1991
Creator: Park, J.-H. & Natesan, K.

Guidelines to Achieve Seals with Minimal Leak Rates for HWR-NPR Coolant System Components

Description: Existing technology for seal systems was reviewed with regard to flange, elastomer, valve, and pump design. A technology data base for the designers of the HWR-NPR coolant system was derived from operating experience and seal development work on reactors in the United States, Canada, and Europe. This data base was then used to generate guidelines for the design of seals and/or joints for the HWR-NPR coolant system. Also discussed are needed additional research and development, as well as the necessary component qualification tests for an effective quality control program.
Date: March 1991
Creator: Finn, P. A.

Kxp and kxpl : a Busy Man's LaTeX

Description: This report introduces the following programs: kxp: a time-saving LaTeX preprocessor, kxpl: kxp plus latex, kxh: a help facility for kxp and LaTex, ptex: a program for printing a LaTeX document, and pptex: a program for printing parts of a LaTeX document. More detailed descriptions will be given in Part 2: A Reference Manual. The appendix gives instructions on how to use Argonne's Mathematics and Computer Science Division letterhead and intralaboratory memo L(sup A)T(sub E)X styles.
Date: March 1991
Creator: Kwong, Man Kam

Leaching Action of EJ-13 Water on Unirradiated UO₂ Surfaces under Unsaturated Conditions at 90 C : Interim Report

Description: A set of experiments, based on the application of the Unsaturated Test method to the reaction of uranium dioxide with EJ-13 water, has been conducted over a period of 182.5 weeks. One half of the experiments have been terminated, while one half are still ongoing. Solutions that have dripped from uranium dioxide specimens have been analyzed for all experiments, while the reacted uranium dioxide surfaces have been examined for only the terminated experiments. A pulse of uranium release from the uranium dioxide solid, in conjunction with the formation of dehydrated schoepite on the surface of the uranium dioxide, was observed during the 39- to 96-week period. Thereafter, the uranium release decreased and a second set of secondary phases was observed. The latter phases incorporate cations from the EJ-13 water and include boltwoodite, uranophane, sklodowskite, compreignacite, and schoepite. The experiments are being continued to monitor for additional changes in solution composition and secondary phase formation, and have now reached the 319-week period.
Date: July 1991
Creator: Wronkiewicz, D. J.; Bates, John K.; Gerding, Thomas J.; Veleckis, Ewald; Tani, B. & Hoh, J. C.

Materials Performance in the Atmospheric Fluidized-Bed Cogeneration Air Heater Experiment

Description: The Atmospheric Fluidized-Bed Cogeneration Air Heater Experiment (ACAHE) sponsored by the US Department of Energy (DOE) was initiated to assess the performance of various heat-exchanger materials to be used in fluidized-bed combustion air heater systems. Westinghouse Electric Corporation, through subcontracts with Babcock Wilcox, Foster Wheeler, and ABB Combustion Engineering Systems, prepared specifications and hardware for the ACAHE tests. Argonne National Laboratory contracted with Rockwell International to conduct tests in the DOE atmospheric fluidized-bed combustion facility. This report presents an overview of the project, a description of the facility and the test hardware, the test operating conditions, a summary of the operation, and the results of analyzing specimens from several uncooled and cooled probes exposed in the facility. Extensive microstructural analyses of the base alloys, claddings, coatings, and weldments were performed on specimens exposed in several probes for different lengths of time. Alloy penetration data were determined for several of the materials as a function of specimen orientation and the exposure location in the combustor. Finally, the data were compared with earlier laboratory test data, and the long-term performance of candidate materials for air-heater applications was assessed.
Date: February 1991
Creator: Natesan, K.

OTTER Experiments Pertinent to CADE-10

Description: This Argonne report serves as a companion to our CADE-10 paper. To fulfill promises made in that paper, included here are detailed proofs in clause notation, input files compatible with OTTER, and explanations for the choice of approach. Also included are certain of the original and unpublished proofs (of Winker) that answered four open questions, two in equivalent calculus and two in the R-calculus. The organization parallels that of the CADE-10 paper.
Date: February 1991
Creator: Wos, Larry; Winker, S.; McCune, William W.; Overbeck, R.; Lusk, E.; Stevens, R. et al.

Parallel Programming with PCN

Description: PCN is a system for developing and executing parallel programs. It comprises a high-level programming language, a set of tools for developing and debugging programs in this language, and interfaces to Fortran and C that allow the reuse of existing code in multilingual parallel programs. Programs developed using PCN are portable across many different workstations, networks, and parallel computers. This document provides all the information required to develop parallel programs with the PCN programming system. It includes both tutorial and reference material. It also presents the basic concepts that underlie PCN, particularly where these are likely to be unfamiliar to the reader, and provides pointers to other documentation on the PCN language, programming techniques, and tools.
Date: September 1991
Creator: Foster, Ian & Tuecke, Steven

Parallel Programming with PCN. Revision 1

Description: PCN is a system for developing and executing parallel programs. It comprises a high-level programming language, tools for developing and debugging programs in this language, and interfaces to Fortran and C that allow the reuse of existing code in multilingual parallel programs. Programs developed using PCN are portable across many different workstations, networks, and parallel computers. This document provides all the information required to develop parallel programs with the PCN programming system. In includes both tutorial and reference material. It also presents the basic concepts that underlie PCN, particularly where these are likely to be unfamiliar to the reader, and provides pointers to other documentation on the PCN language, programming techniques, and tools.
Date: December 1991
Creator: Foster, Ian & Tuecke, Steven

Parametric Effects on Glass Reaction in the Unsaturated Test Method

Description: The Unsaturated Test Method has been applied to study glass reaction under conditions that may be present at the potential Yucca Mountain site, currently under evaluation for storage of reprocessed high-level nuclear waste. The results from five separate sets of parametric experiments are presented wherein test parameters ranging from water contact volume to sensitization of metal in contact with the glass were examined. The most significant effect was observed when the volume of water, as controlled by the water inject volume and interval period, was such to allow exfoliation of reacted glass to occur. The extent of reaction was also influenced to a lesser extent by the degree of sensitization of the 304L stainless steel. For each experiment, the release of cations from the glass and alteration of the glass were examined. The major alteration product is a smectite clay that forms both from precipitation from solution and from in-situ alteration of the glass itself. It is this clay that undergoes exfoliation as water drips from the glass. A comparison is made between the results of the parametric experiments with those of static leach tests. In the static tests the rates of release become progressively reduced through 39 weeks while, in contrast, they remain relatively constant in the parametric experiments for at least 300 weeks. This differing behavior may be attributable to the dripping water environment where fresh water is periodically added and where evaporation can occur.
Date: December 1991
Creator: Woodland, Alan B.; Bates, John K. & Gerding, Thomas J.

Practical Superconductor Development for Electrical Power Applications, Annual Report: 1991

Description: Annual report for the superconductor program at Argonne National Laboratory discussing the group's activities and research. This report describes technical progress of research and development efforts aimed at producing superconducting components based on the Y-Ba-Cu, BI-Sr-Ca-Cu, Bi-Pb-Sr-Ca-Cu, and TI-Ba-Ca-Cu oxide systems including: synthesis and heat treatment of high-Te superconductors, formation of monolithic and composite wires and tapes, superconductor/metal connectors, characterization of structures and superconducting and mechanical properties, and fabrication and properties of thin films.
Date: October 1991
Creator: Argonne National Laboratory. Materials and Components Technology Division.