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.

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.

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. …

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.

The objective of this study was (i) to assess the present state of technology of reformers that convert methanol (or other alternative fuels) to a hydrogen-rich gas mixture for use in a fuel cell, and (ii) to identify the R & D needs for developing reformers for transportation applications. Steam reforming and partial oxidation are the two basic types of fuel reforming processes. The former is endothermic while the latter is exothermic. Reformers are therefore typically designed as heat exchange systems, and the variety of designs used includes shell-and-tube, packed bed, annular, plate, and cyclic bed types. Catalysts used include noble metals and oxides of Cu, Zn, Cr, Al, Ni, and La. For transportation applications a reformer must be compact, lightweight, and rugged. It must also be capable of rapid start-up and good dynamic performance responsive to fluctuating loads. A partial oxidation reformer is likely to be better than a steam reformer based on these considerations, although its fuel conversion efficiency is expected to be lower than that of a steam reformer. A steam reformer better lends itself to thermal integration with the fuel cell system; however, the thermal independence of the reformer from the fuel cell stack is likely …

This report determines cost and performance requirements for Proton Exchange Membrane (PEM) fuel cell vehicles carrying pure hydrogen fuel, to achieve parity with internal combustion engine (ICE) vehicles.

The combination of a Krylov space method and a pre-conditioner is at the heart of most modern numerical codes for the iterative solution of linear systems. This document contains both a users manual and a description of the implementation for the Krylov space methods package KSP included as part of the Portable, Extensible Tools for Scientific computation package (PETSc). PETSc is a large suite of data-structure-neutral libraries for the solution of large-scale problems in scientific computation, in particular on massively parallel computers. The methods in KSP are conjugate gradient method, GMRES, BiCG-Stab, two versions of transpose-free QMR, and others. All of the methods are coded using a common, data-structure-neutral framework and are compatible with the sequential, parallel, and out-of-core solution of linear systems. The codes make no assumptions about the representation of the linear operator; implicitly defined operators (say, calculated using differencing) are fully supported. In addition, unlike all other iterative packages we are aware of, the vector operations are also data-structure neutral. Once certain vector primitives are provided, the same KSP software runs unchanged using any vector storage format. It is not restricted to a few common vector representations. The codes described are actual working codes that run on …

The Generic TRUEX Model was used to develop a TRUEX process flowsheet for recovering the transuranics (plutonium, americium) from a nitrate waste stream at Rocky Flats Plant. T\

Aqueous biphasic extraction systems are being developed to treat radioactive wastes. The separation technique involves the selective partitioning of either solutes or colloid-size particles between two scible aqueous phases. Wet grinding of plutonium residues to an average particle size of one micron will be used to liberate the plutonium from the bulk of the particle matrix. The goal is to produce a plutonium concentrate that will integrate with existing and developing chemical recovery processes. Ideally, the process would produce a nonTRU waste stream. Coupling physical beneficiation with chemical processing will result in a substantial reduction in the volume of mixed wastes generated from dissolution recovery processes. As part of this program, we will also explore applications of aqueous biphasic extraction that include the separation and recovery of dissolved species such as metal ions and water-soluble organics. The expertise and data generated in this work will form the basis for developing more cost-effective processes for handling waste streams from environmental restoration and waste management activities within the DOE community. This report summarizes the experimental results obtained during the first year of this effort. Experimental efforts were focused on elucidating the surface and solution chemistry variables which govern partitioning behavior of plutonium …

Fortran M is a small set of extensions to Fortran that supports a modular approach to the construction of sequential and parallel programs. Fortran M programs use channels to plug together processes which may be written in Fortran M or Fortran 77. Processes communicate by sending and receiving messages on channels. Channels and processes can be created dynamically, but programs remain deterministic unless specialized nondeterministic constructs are used. Fortran M programs can execute on a range of sequential, parallel, and networked computers. This report incorporates both a tutorial introduction to Fortran M and a users guide for the Fortran M compiler developed at Argonne National Laboratory. The Fortran M compiler, supporting software, and documentation are made available free of charge by Argonne National Laboratory, but are protected by a copyright which places certain restrictions on how they may be redistributed. See the software for details. The latest version of both the compiler and this manual can be obtained by anonymous ftp from Argonne National Laboratory in the directory pub/fortran-m at info.mcs.anl.gov.

This document defines the Fortran M extensions to Fortran 77. It updates an earlier definition, dated June 1992, in several minor respects.

The results of tests done using the Unsaturated Test Method are presented. These tests, done to determine the suitability of glass in a potential high-level waste repository as developed by the Nevada Nuclear Waste Storage Investigations Project, simulate conditions anticipated for the post-containment phase of the repository when only limited contact between the waste form and water is expected. The reaction of glass occurs via processes that are initiated due to glass/water vapor and glass/liquid water contact. Vapor interaction results in the initiation of an exchange process between water and the more mobile species (alkalis and boron) in the glass. The liquid reaction produces interactions similar to those seen in standard leaching tests, except due to the limited amount of water present and the presence of partially sensitized 304L stainless steel, the formation of reaction products greatly exceeds that found in MCC-1 type leach tests. The effect of sensitized stainless steel on the reaction is to enhance breakdown of the glass matrix thereby increasing the release of the transuranic elements from the glass. However, most of the plutonium and americium released is entrained by either the metal components of the test or by the reaction phases, and is not released …

Progress report of the Argonne National Laboratory's Nuclear Technology Programs, including investigations in applied physical chemistry, separation science and technology, and waste management.

Proton (¹H) nuclear magnetic resonance (NMR) imaging techniques are investigated as a means to nondestructively characterize green-state (unfired) Si{sub 3}N{sub 4} ceramic components. Spectroscopic results indicate that the organic additives used in the injection molding of ceramics behave as soft solids, with broad spectral peak widths (T₂ <0.5 ms) and moderate multicomponent spin-lattice relaxation rates (T{sub 1} ranging from 11 ms to 1 s). Because of the intrinsically different spectral characteristics of the organic additives, conventional-solution NMR imaging techniques cannot be applied to these materials. Hence, the authors developed specialized NMR imaging accessories capable of applying high magnetic field gradients in a back-projection protocol. NMR images were acquired of injection-molded test bars that had been fabricated with different mixing and molding parameters. Organic concentrations determined from the NMR images were correlated with results obtained through destructive testing. The correlation suggests that NMR imaging is a viable technique for quantifying organics in injection-molded green-state ceramics.

On August 6--10, 1990, Argonne National Laboratory hosted a Theory Institute in Automated Reasoning. The institute was organized by the Mathematics and Computer Science Division and was supported by special funding from Argonne's Physical Research Program Administration. The focus of the Institute was on the obstacles confronting the effective automation of reasoning. The objective was to lay the groundwork for formulating a theory governing the interrelationship of representation, inference rule, and strategy. Here we summarize the activities that took place during the week-long Institute. We also present an evaluation of the progress achieved-progress that includes the solution of challenge questions, the increasing use of both our database of problems and our automated reasoning program OTTER, and the discovery of new used for OTTER.

Abstract: This is the history of the Institute for Numerical Analysis (INA) with special emphasis in its research program during the period 1947 to 1956. The Institute for Numerical Analysis was located on the campus of the University of California, Los Angeles. It was a section of the National Applied Mathematics Laboratories, which formed the Applied Mathematics Division of the National Bureau of Standards (now the National Institute of Standards and technology), under the U.S. Department of Commerce.

The Generic TRUEX Model (GTM) was used to simulate three different counter-current flowsheet tests performed using mixer-settlers that had been carried out prior to 1993 in the Chemical Processing Facility, Tokai-works, of the Power Reactor and Nuclear Fuel Development Corporation (PNC) of Japan. The feed for the PNC runs was the highly active raffinate from reprocessing of spent fuel from fast breeder reactors. The PNC demonstration runs were planned without using the GTM. Results predicted by the GTM and those obtained experimentally by PNC for the three demonstration runs are compared. Effects of stage efficiency, nitrate complexation, temperature, and equipment type are also included.

This report describes the primary physical models that form the basis of the DART mechanistic computer model for calculating fission-product-induced swelling of aluminum dispersion fuels; the calculated results are compared with test data. In addition, DART calculates irradiation-induced changes in the thermal conductivity of the dispersion fuel, as well as fuel restructuring due to aluminum fuel reaction, amorphization, and recrystallization. Input instructions for execution on mainframe, workstation, and personal computers are provided, as is a description of DART output. The theory of fission gas behavior and its effect on fuel swelling is discussed. The behavior of these fission products in both crystalline and amorphous fuel and in the presence of irradiation-induced recrystallization and crystalline-to-amorphous-phase change phenomena is presented, as are models for these irradiation-induced processes.

As a result of the U.S. Department of Energy's environmental restoration and technology development activities, GTS Duratek, Inc., and its subcontractors have demonstrated an integrated thermal waste treatment system at Fernald, OH, as part the Minimum Additive Waste Stabilization (MAWS) Program. Specifically, MAWS integrates soil washing, vitrification of mixed waste streams, and ion exchange to recycle and remediate process water to achieve, through a synergistic effect, a reduction in waste volume, increased waste loading, and production of a durable, leach-resistant, stable waste form suitable for disposal. This report summarizes the results of the demonstration/testing of the soil washing component of the MAWS system installed at Fernald (Plant 9). The soil washing system was designed to (1) process contaminated soil at a rate of 0.25 cubic yards per hour; (2) reduce overall waste volume and provide consistent-quality silica sand and contaminant concentrates as raw material for vitrification; and (3) release clean soil with uranium levels below 35 pCi/g. Volume reductions expected ranged from 50-80 percent; the actual volume reduction achieved during the demonstration reached 66.5 percent. The activity level of clean soil was reduced to as low as 6 pCi/g from an initial average soil activity level of 17.6 pCi/g (the …

A Reynolds stress model (RSM) of turbulence, based on seven transport equations, has been linked to the COMMIX-1C/RSM and CAPS-3D/RSM computer codes. Six of the equations model the transport of the components of the Reynolds stress tensor and the seventh models the dissipation of turbulent kinetic energy. When a fluid is heated, four additional transport equations are used: three for the turbulent heat fluxes and one for the variance of temperature fluctuations. All of the analytical and numerical details of the implementation of the new turbulence model are documented. The model was verified by simulation of homogeneous turbulence.

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

Annual report of activities of the Argonne National Laboratory Physics Division, including heavy-ion research, operation and development of ATLAS, medium-energy nuclear physics research and weak interactions, theoretical nuclear physics, and atomic and molecular physics research.

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