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.

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 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.

The temperature dependence of glass durability, particularly that of nuclear waste glasses, is assessed by reviewing past studies. The reaction mechanism for glass dissolution in water is complex and involves multiple simultaneous reaction proceeded, including molecular water diffusion, ion exchange, surface reaction, and precipitation. These processes can change in relative importance or dominance with time or changes in temperature. The temperature dependence of each reaction process has been shown to follow an Arrhenius relationship in studies where the reaction process has been isolated, but the overall temperature dependence for nuclear waste glass reaction mechanisms is less well understood, Nuclear waste glass studies have often neglected to identify and characterize the reaction mechanism because of difficulties in performing microanalyses; thus, it is unclear if such results can be extrapolated to other temperatures or reaction times. Recent developments in analytical capabilities suggest that investigations of nuclear waste glass reactions with water can lead to better understandings of their reaction mechanisms and their temperature dependences. Until a better understanding of glass reaction mechanisms is available, caution should be exercised in using temperature as an accelerating parameter.

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.

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. …

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.

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.

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.

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.

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.

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.

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.

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.

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. 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. This version of this document describes PCN version 2.0, a major revision of the PCN programming system. It supersedes earlier versions of this report.

This report presents the results of a survey undertaken to identify and characterize current practices for detecting and locating leaks in district heating systems, particular steam systems. Currently used technology and practices are reviewed. In addition, the survey was used to gather information that may be important for the application of acoustic leak detection. A few examples of attempts to locate leaks in steam and hot water pipes by correlation of acoustic signals generated by the leaks are also discussed.

The Generic TRUEX Model (GTM) was used to design a flowsheet for the TRUEX solvent extraction process that would be used to determine its instrumentation and control requirements. Sensitivity analyses of the key process variables, namely, the aqueous and organic flow rates, feed compositions, and the number of contactor stages, were carried out to assess their impact on the operation of the TRUEX process. Results of these analyses provide a basis for the selection of an instrument and control system and the eventual implementation of a control algorithm. Volume Two of this report is an evaluation of the instruments available for measuring many of the physical parameters. Equations that model the dynamic behavior of the TRUEX process have been generated. These equations can be used to describe the transient or dynamic behavior of the process for a given flowsheet in accordance with the TRUEX model. Further work will be done with the dynamic model to determine how and how quickly the system responds to various perturbations. The use of perturbation analysis early in the design stage will lead to a robust flowsheet, namely, one that will meet all process goals and allow for wide control bounds. The process time delay, …

This report is given a specification "s" that states the requirements of a problem in terms of data dependencies. There are also given some assumptions about the input domain and to define a formal model that can be used to verify that a program written according to the specification "s" does indeed have the data dependencies specified by "s."

GenoGraphics is a generic utility for constructing and querying one-dimensional linear plots. The outgrowth of a request from Dr. Cassandra Smith for a tool to facilitate her genome mapping research. GenoGraphics development has benefited from a continued collaboration with her. Written in Sun Microsystem's OpenWindows environment and the BTOL toolkit developed at Argonne National Laboratory. GenoGraphics provides an interactive, intuitive, graphical interface. Its features include: viewing multiple maps simultaneously, zooming, and querying by mouse clicking. By expediting plot generation, GenoGraphics gives the scientist more time to analyze data and a novel means for deducing conclusions.

Results of a study of boiling heat transfer from refrigerant R-113 in a small-diameter (2.92-mm) tube are reported. Local heat transfer coefficients over a range of heat fluxes, mass fluxes, and equilibrium mass qualities were measured. The measured coefficients were used to evaluate eight different heat transfer correlations, some of which have been developed specifically for refrigerants. High heat fluxes and low flow rates are inherent in small channels, and this combination results in high boiling numbers. The high boiling number of the collected data shows that the nucleation mechanism was dominant. As a result, the two-phase correlations that predicted this dominance also predicted the data best if they also properly modeled the physical parameters. The correlations of Lazarek and Black and of Shah, as modified in this study, predicted the data very well. It is also shown that a simple form, suggested by Stephan and Abdelsalam for nucleate boiling, correlates the data equally well. This study is part of a research program in multiphase flow and heat transfer, with the overall objective of developing validated design correlations and predictive methods that will facilitate the design and optimization of compact heat exchangers for use with environmentally acceptable alternatives for chlorofluorocarbon …

By means of the unsteady-flow theory and a bilinear mathematical model, a theoretical study is presented for chaotic vibrations associated with the fluid-elastic instability of nonlinearly supported tubes in a crossflow. Effective tools, including phase portraits, power spectral density, Poincare maps, Lyapunov exponent, fractal dimension, and bifurcation diagrams, are utilized to distinguish periodic and chaotic motions when the tubes vibrate in the instability region. The results show periodic and chaotic motions in the region corresponding to fluid-damping-controlled instability. Nonlinear supports, with symmetric or asymmetric gaps, significantly affect the distribution of periodic, quasi-periodic, and chaotic motions of a tube exposed to various flow velocities in the instability region of the tube-support-plate-inactive mode.

Dynamic interactions between the vehicle and guideway in a high-speed ground transportation system based on magnetically levitated (maglev) vehicles were studied, with an emphasis on the effects of vehicle and guideway parameters. Two dynamic models for the vehicle are presented. In one model, the vehicle is considered to be a moving force traveling at various speeds on a simply supported single- or two-span beam. In the second model, the vehicle is considered to be one-dimensional and has two degrees of freedom; this model consists of the primary and secondary suspensions of the vehicle, with lumped masses, linear springs, and dampings. The Bernoulli-Euler beam equation is used to model the characteristics of a flexible guideway, and the guideway synthesis is based on modal analysis. Analyses were performed to gain an understanding of response characteristics under various loading conditions and to provide benchmark data for verification of existing comprehensive computer programs and some basic design guidelines for maglev systems. Finally, the German Transrapid maglev system was evaluated.

In this APS Instrumentation Initiative, 2.5-m-long and 5-m-long insertion-device x-ray sources will be built on 9 straight sections of the APS storage ring, and an additional 9 bending-magnet sources will also be put in use. The front ends for these 18 x-ray sources will be built to contain and safeguard access to these bright x-ray beams. In addition, funds will be provided to build state-of-the-art insertion-device beamlines to meet scientific and technological research demands well into the next century. This new initiative will also include four user laboratory modules and a special laboratory designed to meet the x-ray imaging research needs of the users. The Conceptual Design Report (CDR) for the APS Instrumentation Initiative describes the scope of all the above technical and conventional construction and provides a detailed cost and schedule for these activities. According to these plans, this new initiative begins in FY 1994 and ends in FY 1998. The document also describes the preconstruction R & D plans for the Instrumentation Initiative activities and provides the cost estimates for the required R & D.

Because dynamic instability is not acceptable for any commercial maglev systems, it is important to consider this phenomenon in the development of all maglev systems. This study considers the stability of maglev systems based on experimental data, scoping calculations, and simple mathematical models. Divergence and flutter are obtained for coupled vibration of a three-degree-of-freedom maglev vehicle on a guideway consisting of double L-shaped aluminum segments attached to a rotating wheel. The theory and analysis developed in this study identifies basic stability characteristics and future research needs of maglev systems.