This project is focused on developing strategies to accomplish the reduction and hydrogenation of carbon monoxide to produce organic oxygenates at mild conditions. Our approaches to this issue are based on the recognition that rhodium macrocycles have unusually favorable thermodynamic values for producing a series of intermediate implicated in the catalytic hydrogenation of CO. Observations of metalloformyl complexes produced by reactions of H{sub 2} and CO, and reductive coupling of CO to form metallo {alpha}-diketone species have suggested a multiplicity of routes to organic oxygenates that utilize these species as intermediates. Thermodynamic and kinetic-mechanistic studies are used in constructing energy profiles for a variety of potential pathways, and these schemes are used in guiding the design of new metallospecies to improve the thermodynamic and kinetic factors for individual steps in the overall process. Variation of the electronic and steric effects associated with the ligand arrays along with the influences of the reaction medium provide the chemical tools for tuning these factors. Emerging knowledge of the factors that contribute to M-H, M-C and M-O bond enthalpies is directing the search for ligand arrays that will expand the range of metal species that have favorable thermodynamic parameters to produce the primary intermediates …

PC-GenoGraphics is a visual database/query facility designed for reasoning with genomic data. Data are represented to reflect variously accurate notions of the location of their sites, etc., along the length of the genome. Sequence data are efficiently stored and queried via a rather versatile language so that entire sequences of organisms will be treatable as they emerge. Other classes of information, such as function descriptions, are stored in a relational form, and joint queries relating these to sequence properties are supported. All queries result in visual responses that indicate locations along the genome. The results of queries can themselves be promoted to be queryable objects against which further queries can be launched.

Message passing is a common method for programming parallel computers. The lack of a standard has significantly impeded the development of portable software libraries for these machines. Recently, an ad-hoc committee was formed to develop a standard for message-passing software for parallel computers. This group first met in April 1992 at a workshop sponsored in part by the Center for Research on Parallel Computation (CRPC). Four of the attendees at that meeting produced a draft standard, henceforth referred to as the MPI (Message-Passing Interface) draft standard. After review by a larger group, and significant changes in the document, a meeting was held in November to discuss the MPI draft standard. This document is a result of those discussions; it describes a running implementation of in most of the proposed standard, plus additional routines that were suggested by the discussions at the November meeting.

This report focuses on the Battle Management/Command, Control, and Communication (BM/C³) element of the Global Protection Against Limited Strike (GPALS) system. The approach is based on the development and validation of a generic BM/C³ model. Central to the approach is the tenet that the design is divided into multiple layers. The critical functions make up the bottom layer, where trust is established and significant design effort is required.

This progress report broadly defines the scope of supplementation plans and activities in the Columbia Basin. It provides the foundation for more detailed analysis of supplementation in subsequent reports in this series. Topics included in this report are: definition of supplementation, project diversity, objectives and performance standards, uncertainties and theory. Since this is a progress report, the content is subject to modification with new information. The supplementation theory will continue to evolve throughout the duration of RASP and beyond. The other topics in this report are essentially complete and are not expected to change significantly. This is the first of a series of four reports which will summarize information contained in the larger, RASP progress and completion reports. Our goal is to make the findings of RASP more accessible by grouping related topics into smaller but complete narratives on important aspects of supplementation. We are planning to publish the following reports under the general title Supplementation in the Columbia River Basin: Part 1, Background, Description, Performance Measures, Uncertainty and Theory; Part 2, Theoretical Framework and Models; Part 3, Planning Guidelines; and Part 4, Regional Coordination of Research and Monitoring. Supplementation is expected to be a major contributor to the planned …

The purpose of this project was to develop and obtain information necessary to evaluate and undertake specific wildlife habitat protection/enhancement actions in northwest Montana as outlined in the Columbia River Basin Fish and Wildlife Program. Three waterfowl projects were evaluated between September 1989 and June 1990. Weaver's Slough project involved the proposed acquisition of 200 acres of irrigated farmland and a donated conservation easement on an additional 213 acres. The proposal included enhancement of the agricultural lands by conversion to upland nesting cover. This project was rated the lowest priority based on limited potential for enhancement and no further action was pursued. The Crow Creek Ranch project involved the proposed acquisition of approximately 1830 acres of grazing and dryland farming lands. The intent would be to restore drained potholes and provide adjacent upland nesting cover to increase waterfowl production. This project received the highest rating based on the immediate threat of subdivision, the opportunity to restore degraded wetlands, and the overall benefits to numerous species besides waterfowl. Ducks Unlimited was not able to participate as a cooperator on this project due to the jurisdiction concerns between State and tribal ownership. The USFWS ultimately acquired 1,550 acres of this proposed project. …

We propose Compton scattering of a short pulse visible laser beam by a low energy (but relativistic) electron beam at a right angle for generation of femtosecond x-rays. Simple analysis to determine the qualitative and quantitative characteristics of the x-ray pulse is presented.

For many practical problems, solutions obtained from deterministic models are unsatisfactory because they fail to hedge against certain contingencies that may occur in the future. Stochastic models address this shortcoming, but up to recently seemed to be intractable due to their size. Recent advances both in solution algorithms and in computer technology now allow us to solve important and general classes of practical stochastic problems. We show how large-scale stochastic linear programs can be efficiently solved by combining classical decomposition and Monte Carlo (importance) sampling techniques. We discuss the methodology for solving two-stage stochastic linear programs with recourse, present numerical results of large problems with numerous stochastic parameters, show how to efficiently implement the methodology on a parallel multi-computer and derive the theory for solving a general class of multi-stage problems with dependency of the stochastic parameters within a stage and between different stages.

In the design of superconducting magnet elements, such as may be required to guide and focus ions in a particle accelerator, one frequently premises some particular current distribution and then proceeds to compute the consequent magnetic field through use of the laws of Biot and Savart or of Ampere. When working in this manner one of course may need to revise frequently the postulated current distribution before arriving at a resulting magnetic field of acceptable field quality. It therefore is of interest to consider an alternative ( inverse'') procedure in which one specifies a desired character for the field required in the region interior to the winding and undertakes then to evaluate the current distribution on the specified winding surface that would provide this desired field. We may note that in undertaking such an inverse procedure we would wish, on practical grounds, to avoid the use of any double-layer'' distributions of current on the winding surface or interface but would not demand that no fields be generated in the exterior region, so that in this respect the goal would differ in detail from that discussed by other authors, in analogy to the distribution sought in electrostatics by the so-caged Green's …

This report describes Phase I of a three-phased study to support evaluation of new cleanup technologies for federal facilities. It directly supports the Volatile Organic Compounds (VOC)-Arid Site Integrated Demonstration (VOC-Arid ID) being conducted at the Hanford Site. The purpose of the activity is to develop and demonstrate new technologies for cleaning up carbon tetrachloride and other VOCs in soils and groundwater. The institutional assessment task of the VOC-Arid ID, which is being performed by Battelle Seattle Research Center, is assessing regulatory and public acceptability of new technologies. Phase I focuses on gathering Hanford stakeholder input on how to evaluate technologies. Phase II will involve stakeholders applying the technology evaluation criteria to actual demonstration technologies. In Phase III, the task will evaluate stakeholder acceptability of innovative technologies at other DOE candidate sites. Only if a technology performs effectively during demonstration, and is accepted by the regulatory community and the public, can it be recommended for deployment. Phase I consisted of a series of stakeholder interviews and two stakeholder workshops, both designed to receive input about the criteria to be used to evaluate innovative technologies.

Irregularities in the winding or alignment of poloidal or toroidal magnetic field coils in tokamaks produce resonant low m, n = 1 static error fields. Otherwise stable discharges can become nonlinearly unstable, and locked modes can occur with subsequent disruption when subjected to modest m = 2, n = 1 external perturbations. Using both theory and the results of error field/locked mode experiments on DIII-D and other tokamaks, the critical m = 2, n = 1 applied error field for locked mode instability in TPX is calculated for discharges with ohmic, neutral beam, or rf heating. Ohmic discharges axe predicted to be most sensitive, but even co-injected neutral beam discharges (at [beta][sub N] = 3) in TPX will require keeping the relative 2, 1 error field (B[sub r21]/B[sub T]) below 2 [times] 10[sup [minus]4]. The error fields resulting from as-built'' alignment irregularities of various poloidal field coils are computed. Coils if well-designed must be positioned to within 3 mm with respect to the toroidal field to keep the total 2,1 error field within limits. Failing this, a set of prototype correction coils is analyzed for use in bringing 2,1 error field down to a tolerable level.

Within the 50 states some form of federal code or standard for energy conservation in new building construction is typically incorporated into state and local codes. Two of these codes, the Model Energy Code (MEC) and the proposed ASHRAE standard 90.2P are of special importance to the residential data base developed by the Gas Research Institute (GRI) because they influence thermal requirements and have either been recently updated or will be revised in 1992. In this study, we evaluate the impacts of these two thermal codes on the energy performance and energy consumption of prototypical new single-family buildings. Base case buildings, with characteristics typical of current building practices, are modified to meet the thermal envelope standards and are simulated with the DOE-2.1D building energy simulation program. In addition, we also model the effects of appliance and heating and cooling equipment efficiencies promulgated under the National Appliance Energy Conservation Act (NAECA) of 1987 and of the NAECA Amendments of 1988. We compare heating and cooling loads and energy use for the prototypical house for several cases: the base case, with 1980s vintage thermal envelope and appliance and equipment efficiencies; with ASHRAE 90 thermal requirements; with Model Energy Code thermal requirements; with …

The purpose of the study was to investigate the characteristics of fitting linear dynamic models to the impulse response of oscillatory dynamic systems using Prony analysis. Many dynamic systems exhibit oscillatory responses with multiple modes of oscillations. Although the underlying dynamics of such systems are often nonlinear, it is frequently possible and very useful to represent the system operating about some set point with a linear model. Derivation of such linear models can be done using two basic approaches: model the system using theoretical derivations and some linearization method such as a Taylor series expansion; or use a curve-fitting technique to optimally fit a linear model to specified system response data. Prony analysis belongs to the second class of system modeling because it is a method of fitting a linear model to the impulse response of a dynamic system. Its parallel formulation inherently makes it well suited for fitting models to oscillatory system data. Such oscillatory dynamic effects occur in large synchronous-generator-based power systems in the form of electromechanical oscillations. To study and characterize these oscillatory dynamics, BPA has developed computer codes to analyze system data using Prony analysis. The objective of this study was to develop a highly detailed …

A simple model is introduced to illustrate some features concerning anomalous transport associated with magnetic turbulence. For magnetic topologies that are described as bands of stochasticity separated by regions with good flux surfaces, the transport coefficients deviate significantly from those describing completely stochastic magnetic fields. It is possible to have the electron heat diffusivity exceed a runaway electron diffusion coefficient, despite the existence of widespread magnetic stochasticity. Comparing the ratios of transport coefficients is not an accurate way to determine whether anomalous plasma transport is controlled by electrostatic or electromagnetic fluctuations.

This study continues the series of evaluations of the Bonneville Power Administration's long-term Residential Weatherization Program (RWP) by examining the energy saved by its 1988 and 1989 participants. The sample of participants for this study was drawn from 10 utilities covering the region's three climate zones. Six of these utilities were included in the 1988 RWP evaluation, and eight of them were included in the 1989 RWP evaluation. This study analyzes data on 356 participating households in 1988, 433 participants in 1989, and a comparison group of 1170 nonparticipants in 1988 and 1466 in 1989. Previous evaluations of Bonneville's earlier weatherization programs provide an historic context for analyzing program dynamics.

The purpose of this study was to determine whether analysis of the elemental content of fur from San Joaquin kit foxes (Vulpes macrotis mutica) and of water and soil from kit fox habitats could be used to make inferences concerning the cause of an observed decline in the kit fox population on Naval Petroleum Reserve No. 1 (NPR-1). Fur samples that had been collected previously from NPR-1, another oil field (NPR-2), and two sites with no oil development were subjected to neutron activation analysis. In addition, soil samples were collected from the home ranges of individual foxes from undisturbed portions of major soil types on NPR-1 and from wastewater samples were collected from tanks and sumps and subjected to neutron activation analysis. Most elemental concentrations in fur were highest at Camp Roberts and lowest on the undeveloped portions of NPR-I. Fur concentrations were intermediate on the developed oil fields but were correlated with percent disturbance and with number of wells on NPR-1 and NPR-2. The fact that most elements covaried across the range of sites suggests that some pervasive source such as soil was responsible. However, fur concentrations were not correlated with soft concentrations. The kit foxes on the developed …

A Schedule Optimization Study (SOS) of the US Department of Energy (DOE) Hanford Site Remedial Investigation/Feasibility Study (RI/FS) Program was conducted by an independent team of professionals from other federal agencies and the private sector experienced in environmental restoration. This team spent two weeks at Hanford in September 1992 examining the reasons for the lengthy RI/FS process at Hanford and developing recommendations to expedite the process. The need for the study arose out of a schedule dispute regarding the submission of the 1100-EM-1 Operable Unit RI/FS Work Plan. This report documents the study called for in the August 29, 1991, Dispute Resolution Committee Decision Statement. Battelle's Environmental Management Operations (EMO) coordinated the effort for DOE's Richland Field Office (RL).

The summary report by Tom Weaver gives the overall background for the series of IVE (Integrated Verification Experiment) experiments including information on the full set of measurements made. This appendix presents details of the infrasound data for the and discusses certain aspects of a few special experiments. Prior to FY90, the emphasis of the Infrasound Program was on underground nuclear test (UGT) detection and yield estimation. During this time the Infrasound Program was a separate program at Los Alamos, and it was suggested to DOE/OAC that a regional infrasound network be established around NTS. The IVE experiments took place in a time frame that allowed simultaneous testing of possible network sites and examination of propagation in different directions. Whenever possible, infrasound stations were combined with seismic stations so that a large number could be efficiently fielded. The regional infrasound network was not pursued by DOE, as world events began to change the direction of verification toward non-proliferation. Starting in FY90 the infrasound activity became part of the Source Region Program which has a goal of understanding how energy is transported from the UGT to a variety of measurement locations.

Plans for remediation of the Hanford underground storage tanks are currently undergoing reevaluation. As part of this process, many options are being considered for the Tank Waste Remediation System (MRS). The clean option'' described here proposes an aggressive waste processing strategy to achieve the three ma or objectives: Greatly reduce the volume of high-level waste (HLW) to lessen demands on geologic repository space; decrease by several orders of magnitude the amount of radioactivity and toxicity now in the waste tanks that will be left permanently onsite as low-level solid waste (LLW); and accomplish the first two objectives without significantly increasing the total amount of waste for disposal. The study discussed here focuses on process chemistry, as it provides the foundation for achieving the clean option objectives. Because demonstrated separation steps have been identified and connected in a way that meets these objectives, the study concludes that the process chemistry rests on a firm technical basis.

A metal alkoxide sol-gel solution suitable for depositing a thin film of La[sub 0.6]Sr[sub 0.4]CoO[sub 3] on a porous substrate has been developed; such films should be useful in fuel cell electrode and oxygen separation membrane manufacture. Crack-free films have been deposited on both dense and porous substrates by dip-coating and spin-coating techniques followed by a heat treatment in air. Fourier transform infrared spectroscopy was used to determine the chemical structure of metal alkoxide solution system. X-ray diffraction was used to determine crystalline phases formed at various temperatures, while scanning electron microscopy was used to determine physical characteristics of the films. Surface coatings have been successfully applied to porous substrates through the control of the substrate pore size, deposition parameters, and firing parameters. Conditions have been defined for which films can be deposited, and for which the physical and chemical characteristics of the film can be improved. A theoretical discussion of the chemical reactions taking place before and after hydrolysis in the mixed alkoxide solutions is presented, and the conditions necessary for successful synthesis are defined. Applicability of these films as ionic and electronic conductors is discussed.

A review of recent developments in the quantum differential calculus. The quantum group GL[sub q](n) is treated by considering it as a particular quantum space. Functions on SL[sub q] (n) are defined as a subclass of functions on GL[sub q](n). The case of SO[sub q](n) is also briefly considered. These notes cover part of a lecture given at the XIX International Conference on Group Theoretic Methods in Physics, Salamanca, Spain 1992.

The solubilization of a range of polycyclic aromatic hydrocarbons in block copolymer micelles has been studied as a function of polymer composition, architecture, and temperature. Micelle formation is favored at high temperatures, leading to significant enhancements in solubilization capacity. At low temperatures, however, micelles do not form and the solubilization capacity of the block copolymer solution for the organics is low; this provides a convenient method for the regeneration of micellar solutions used as solvents'' in the treatment of contaminated feed streams using membrane extraction principles. It has also been shown (in collaboration with K.P. Johnston of University of Texas, Austin) that supercritical CO[sub 2] can be used effectively for micelle regeneration. Theoretical calculations of the structure of block copolymer micelles in the presence and absence of solutes using self-consistent mean-field lattice theories have successfully captured the trends observed with changing polymer composition and architecture, often quantitatively. The temperature and composition dependence of the micellar properties were determined by allowing the individual polymer segments to assume both polar and non-polar conformations.

Spin physics activities at medium and high energies became significantly active when polarized targets and polarized beams became accessible for hadron-hadron scattering experiments. My overview of spin physics will be inclined to the study of strong interaction using facilities at Argonne ZGS, Brookhaven AGS (including RHIC), CERN, Fermilab, LAMPF, an SATURNE. In 1960 accelerator physicists had already been convinced that the ZGS could be unique in accelerating a polarized beam; polarized beams were being accelerated through linear accelerators elsewhere at that time. However, there was much concern about going ahead with the construction of a polarized beam because (i) the source intensity was not high enough to accelerate in the accelerator, (ii) the use of the accelerator would be limited to only polarized-beam physics, that is, proton-proton interaction, and (iii) p-p elastic scattering was not the most popular topic in high-energy physics. In fact, within spin physics, [pi]-nucleon physics looked attractive, since the determination of spin and parity of possible [pi]p resonances attracted much attention. To proceed we needed more data beside total cross sections and elastic differential cross sections; measurements of polarization and other parameters were urgently needed. Polarization measurements had traditionally been performed by analyzing the spin of …

The D0 Experiment is a new, large multipurpose experiment at the Tevatron Proton-Antiproton Collider at the Fermi National Accelerator Laboratory. From the analysis of data taken during August--October, 1992, a selection of preliminary physics results will be given on inclusive jet production, direct photon production, the production and decay properties of the W and Z bosons, the search for the top quark in the dilepton and lepton + jets channels, B physics and searches for new particles.