This report reviews the research activities in Applied Mathematical Sciences at Argonne National Laboratory for the period April 1, 1981, through March 31, 1982. The body of the report discusses various projects carried out in three major areas of research: applied analysis, computational mathematics, and software engineering. Information on section staff, visitors, workshops, and seminars is found in the appendices.

This paper describes a computational method for improving the accuracy of a given singular value and its associated left and right singular vectors. The method is analogous to iterative improvement for the solution of linear systems. That is, by means of a low-precision computation, an iterative algorithm is applied to increase the accuracy of the singular value and vectors; extended precision computations are used in the residual calculation. The method is related to Newton's Method applied to the singular value problem and inverse iteration for the eigenvalue problem.

Compiled proceedings of the fifth Symposium on Instrumentation and Control for Fossil-Energy Processes, covering process control involved in the conversion of fossil fuels into synthetic fuels.

A procedure was developed for separating rubidium from irradiated aluminum encapsulated uranium. The separations procedure produces a final ultra-high purity rubidium chloride product for subsequent high performance mass spectrometric analysis. The procedure involves first removing most of the macro-components and fission products by strong base anion exchange using, first, concentrated HCl, then oxalic acid media and second, selectively separating rubidium from alkaline-earth ions and other alkali-metal ions, including cesium, using Bio-Rex-40 cation-exchange resin. The resultant rubidium chloride is then put through a final vacuum sublimation step. Ultra-pure reagents and specially clean glassware are used throughout the procedure to minimize contamination by naturally-occurring rubidium.

The application of neutron activation analysis to the determination of element release from simulated nuclear waste forms during leaching is described for several different glasses. Potential neutron irradiation effects are discussed, and it is shown, by a series of leach tests on activated and non-activated glass samples, that neutron irradiation has no discernible effect on the release of silicon and cesium during leaching. The radioisotopes best suited for analysis with this method and their associated detection limits are identified, and the method's applicability to waste forms other than glass is discussed.

This evaluation of radiation effects in silicate glasses caused by ionization is based on our own investigations, on material collected in our files (reports, articles, and notes), and on a computer literature search through recent issues of Physics Abstracts and Chemical Abstracts (and the apparently pertinent references which appeared). Some of the recent results, available heretofore only in internal correspondence, are presented in some detail. It is concluded that research into the behavior of silicate glasses generally will be required before the specific effects in the radioactive waste storage glasses can be properly understood and evaluated. Two particular neglected areas of investigation are targeted for immediate concern: a kinetic analysis of annealing data and the acquisition of data on effects of irradiation at controlled elevated temperatures.

This report covers the research, development, and management activities of the programs involving high-performance lithium-aluminum/iron sulfide batteries at Argonne National Laboratory (ANL) and at contractors' laboratories during the period October 1980 through September 1981. These batteries, which are being developed for electric-vehicle propulsion and stationary energy-storage applications, consist of vertically oriented prismatic cells with one or more inner positive electrodes of FeS or FeS2, facing negative electrodes of lithium-aluminum, and molten LiCl-KC1 electrolyte.

This report describes how solar system tanks fail to stratify, a new solar system control strategy that allows stratification, a one-dimensional analytical model of thermally stratified tanks, experimental measurement of thermal stratification in tanks, correlation of experimental measurements with empirical constants in the analytical model, and a procedure for designing thermally stratified tanks. Failure to stratify is explained in terms of the critical Richardson number. The key to the new control strategy is to avoid a Richardson number that decreases during solar collection. The analytical model is an approximate solution based on assumptions that (1) the solution is a function of elevation and time, only, (2) plug flow exists, (3) flow rate is constant, (4) the cross-sectional areas of the tank and tank wall are constant, (5) there is a step change of inlet temperature, (6) there is heat transfer between the tank wall and the water, and (7) thermal losses from the tank are negligible. Empirical constants in the theory are determined by adjusting them until the best least-squares fit with experimental data is obtained and correlating the constants with the Fourier and Richardson numbers. The new control strategy allows tanks to stratify and reduces the average collector operating …

Newton's method plays a central role in the development of numerical techniques for optimization. In fact, most of the current practical methods for optimization can be viewed as variations on Newton's method. It is therefore important to understand Newton's method as an algorithm in its own right and as a key introduction to the most recent ideas in this area. One of the aims of this expository paper is to present and analyze two main approaches to Newton's method for unconstrained minimization: the line search approach and the trust region approach. The other aim is to present some of the recent developments in the optimization field which are related to Newton's method. In particular, we explore several variations on Newton's method which are appropriate for large scale problems, and we also show how quasi-Newton methods can be derived quite naturally from Newton's method.

Annual report of the environmental monitoring program at Argonne National Laboratory, discussing activities and findings of the group.

Quarterly report of the Argonne National Laboratory Chemical Engineering Division regarding activities related to properties and handling of radioactive materials, operation of nuclear reactors, and other relevant research.

Quarterly report of the Argonne National Laboratory Chemical Engineering Division regarding activities related to properties and handling of radioactive materials, operation of nuclear reactors, and other relevant research.

Annual report of the Argonne National Laboratory Radiological and Environmental Research Division regarding activities related to the Center for Human Radiobiology. This report contains a mixture of original countributions, abstracts of published papers, and summaries of papers presented at meetings.

Highlights of the Chemical Engineering (CEN) Division's activities during 1981 are presented. In this period, CEN conducted research and development in the following areas: rechargeable lithium-alloy/iron sulfide batteries for electric vehicles and other applications, aqueous batteries--improved lead-acid, nickel/zinc, and nickel/iron--for electric vehicles, as well as advanced lead-acid batteries for electric.-utility load leveling, energy-efficient industrial electrochemical processes, molten carbonate fuel cells for use by electric utilities, coal technology, mainly fluidized-bed combustion of coal in the presence of an SO2 sorbent of limestone, heat- and seed-recovery technology for open-cycle magnetohydrodynamic systems.

An analysis of the transient swelling rate of oxide fuel, based on fission-gas bubble conditions calculated with the FRAS3 code, has been developed and implemented in the code. The need for this capability arises in the coupling of the FRAS3 fission-gas analysis code to the FPIN fuel-pin mechanics code. An efficient means of closely coupling the calculations of swelling strains and stresses between the modules is required. The present analysis provides parameters that allow the FPIN calculation to proceed through a fairly large time step, using estimated swelling rates, to calculate the stresses. These stress values can then be applied in the FRAS3 detailed calculation to refine the swelling calculation, and to provide new values for the parameters to estimate the swelling in the next time step. The swelling rates were calculated for two representative transients and used to estimate swelling over a short time period for various stress levels.

This proceedings contains the summaries and contents of a number of papers presented at the 1982 NEANDC/NEACRP specialists meeting on fast-neutron capture cross sections. The table of contents has been summarized to provide a sketch of the topical matter.

An automated accountability system for special nuclear materials (SNM) is under development at Argonne National Laboratory-West. Phase I of the development effort has established the following basic features of the system: a unique file organization allows rapid updating or retrieval of the status of various SNM, based on "batch numbers," storage location, serial number, or other attributes. Access to the program is controlled by an interactive user interface that can be easily understood by operators who have had no prior background in electronic data processing. Extensive use of structured programming techniques make the software package easy to understand and to modify for specific applications. All routines are written in FORTRAN.

Quarterly report of the Argonne National Laboratory Chemical Engineering Division regarding activities related to properties and handling of radioactive materials, operation of nuclear reactors, and other relevant research.

Quarterly report of the Argonne National Laboratory Chemical Engineering Division regarding activities related to properties and handling of radioactive materials, operation of nuclear reactors, and other relevant research.

Rising interest in the nuclear physics community in a GeV C.W. electron accelerator reflects the growing importance of high-resolution short-range nuclear physics to future advances in the field. In this report major current problems are reviewed and the details of prospective measurements which could be made with a GeV C.W. electron facility are discussed, together with their impact on an understanding of nuclear forces and the structure of nuclear matter. The microtron accelerator has been chosen as the technology to generate the electron beams required for the research discussed because of the advantages of superior beam quality, low capital and operating cost and capability of furnishing beams of several energies and intensities simultaneously. A complete technical description of the conceptual design for a 2 GeV double-sided C.W. electron microtron is presented. The accelerator can furnish three beams with independently controlled energy and intensity. The maximum current per beam is 100 mircoamps. Although the precise objective for maximum beam energy is still a subject of debate, the design developed in this study provides the base technology for microtron accelerators at higher energies (2 to 6 GeV) using multi-sided geometries.

The design, development, and use of the software package called LINPACK, a collection of subroutines to solve various systems of simultaneous linear algebraic equations are described. The package has been designed to be machine-independent and fully portable and to run efficiently in many operating environments.

This report proposes six extensions to ANS PL/I, which is being revised by the American National Standards Committee X3J1. The new features include environmental enquiry functions, generalization of restricted expressions (compile-time expressions), liberalization of the contexts of restricted expressions, a named-literal declaration type, explicit precision specification for constants, and a pragmatic statement for expressing conditions that an implementation must satisfy for acceptable compilation. Used together, these features will give numerical analysts access to properties of an implementation's floating-point arithmetic in exactly the ways required to ease the burden of tailoring a program's precision specifications to new environments. In many cases it will be possible to write PL/I programs that are completely self-adapting to their host environment. Effective definition of the environmental enquiry functions will require the incorporation of an explicitly parameterized model of floating-point arithmetic. If such a model is integrated into the Standard, numerical analysts will be able to state and prove theorems about their programs' error bounds by appealing directly to the Standard.

Quarterly report discussing fuel cell research and development work at Argonne National Laboratory (ANL). This report describes efforts directed toward (1) developing alternative concepts for components of molten carbonate fuel cells and (2) improving understanding of component behavior.

The formulation needed for the conductance of heat by means of explicit integration is presented. The implementation of these expressions into a transient structural code, which is also based on explicit temporal integration, is described. Comparisons of theoretical results with code predictions are given both for one-dimensional and two-dimensional problems. The coupled thermal and structural solution of a concrete crucible, when subjected to a sudden temperature increase, shows the history of cracking. The extent of cracking is compared with experimental data.