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.

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, …

Annual report of an Argonne National Laboratory Chemistry Division program on radiolytic generation of gases from synthetic waste. This report includes results of studies on simulated waste solutions to measure the presence and absence of organic chelators and their products.

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.

This report comprises the abstracts and papers for the talks presented at the Workshop on Compilation of (Symbolic) Languages for Parallel Computers, held October 31 - November 1, 1991, in San Diego. These unrefereed contributions were provided by the participants for the purpose of this workshop; many of them will be published elsewhere in peer-reviewed conferences and publications.

The yield of hydrogen from radiolysis of aqueous solutions is substantially reduced by the presence of nitrate and nitrite in the waste solutions. Nitrate is more efficient in scavenging the precursors to hydrogen than is nitrite, therefore, the latter should be maintained at higher levels if minimization of radiolytic gas production is required. Nitrate is the major scavenger for e(sub aq)(sup (minus)) and nitrite is the major scavenger for H atoms. At the concentration levels of the waste solutions some fraction of the radiation energy will be absorbed directly by the solutes, primarily the nitrate/nitrite components. Organic additive will increase the generation of hydrogen and mechanistic information is available to allow predictive modeling of trends in the rate of the generation. Physical parameters such as temperature, viscosity, and pressure will not significantly affect the gas generation relative to its generation under normal conditions. Radiolytic generation of N2O is very inefficient in the absence of organic solutes. No mechanistic information is available on its generation in the presence of organic additives. At the concentration levels of the inorganic salts in the waste solutions, it will be very difficult to find a chemical additive that could efficiently reduce the yield of the …

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.

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.

Objective is the development of nuclear magnetic resonance imaging techniques and technology applicable to the nondestructive characterization of green-state ceramics. To this end, a three-dimensional (3-D) NMR imaging technique has been developed, based on a back-projection acquisition protocol in combination with image reconstruction techniques that are based on 3-D Radon transform inversion. The method incorporates the experimental flexibility to overcome many of the difficulties associated with imaging of solid and semisolid broad-line materials, and also provides contiguously sampled data in three dimensions. This technique has been evaluated as a nondestructive characterization method for determining the spatial distribution of organic additives in green-state injection-molded cylindrical Si₃N₄ tensile specimens. The technique has been evaluated on the basis of providing moderate image resolution over large sample volumes, high resolution over smaller specimen volumes, and sensitivity to variations in the concentration of organics. Resolution of 200 micrometers has been obtained with excellent sensitivity to concentration. A detailed account of the 3-D imaging results obtained from the study, a discussion of the difficulties and limitations of the imaging technique, and suggestions for technique and system improvements are included.

Gravimetric changes in marble and limestone briquettes exposed to outdoor environment at five sites in the eastern United States have been monitored since 1984. An earlier report describes procedures and results obtained in 1984--1988. This report presents the results of the exposure period 1984--1988 and reviews and summarizes those of prior years. A linear relationship was found between cumulative gravimetric losses and exposure period or rain depth. These losses resulted in an average recession rate of 14 to 24 {mu}m/yr for marble and twice that for limestone. Variations in recession among the various exposure sites can be ascribed to differences in rain depth and hydrogen ion concentration. The annual recession rates obtained from gravimetry yielded rates that were for marble twice those obtained from runoff experiments, and more than three times those for limestone; this indicates that physical erosion plays an important role. Gravimetric monitoring of exposed briquettes is continuing in a planned 10-yr program.

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. …

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.

Progress report of the Argonne National Laboratory's Nuclear Technology Programs involving R&D in three areas: applied physical chemistry, separation science and technology, and nuclear waste management.

This report reviews the research activities in the Mathematics and Computer Science Division at Argonne National Laboratory for the period September 1989 through February 1991. The body of the report gives a brief look at the MCS staff and the research facilities and then discusses the diverse research projects carried out in the division. Projects funded by non-DOE sources are also discussed, and new technology transfer activities are described. Further information on staff, visitors, workshops, and seminars is found in the appendixes.

This is a description of and a user's manual for upshot, an X-based graphics tool for viewing log files produced by parallel programs.

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.

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.

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.

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.

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.

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.

Annual report of activities of the Argonne National Laboratory Physics Division, including research at ATLAS, medium-energy nuclear physics, theoretical nuclear physics, and atomic and molecular physics.

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.

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.