Advanced electron paramagnetic resonance (EPR) techniques - ENDOR, ESE, and VHF-EPR - are -used to probe the molecular structure and surface properties of coals and of model systems. Typically, the model compounds under investigation and their analogues are found in coals as stable fire radicals which give rise to an EPR signal. In some cases, as in the work reported this quarter, the model compounds are selected because they have some characteristic, such as a particular functional group or heteroatom which may be found in coals, which fits them to serve as test materials for methods development. While this research group continues to catalogue and analyze EPR and ESE spectra of coal and coal maceral samples, it has very recently also made progress in technique development and application. The work reported for this quarter is such a development - an examination of the applicability of W-band EPR and of low-frequency ESE (electron spin echo) spectroscopy to characterization of heteroatoms in a heterogeneous environment. Nitroaromatic radicals catalytically produced in the presence of oxygen as asymmetric surface species on a particulate catalyst surface was probed by both techniques, and it is shown that the electronic structure in the vicinity of the nitrogen …

This document reviews results from a number of studies concerning underground migration of radionuclides from nuclear test cavities at the Nevada Test Site (NTS). Discussed are all cases known to the Department of Energy's Hydrology and Radionuclide Migration Program where radionuclides have been detected outside of the immediate vicinity of nuclear test cavities that are identifiable as the-source of the nuclides, as well as cases where radionuclides might have been expected and were intentionally sought but not fixed. There are nine locations where source-identifiable radionuclide migration has been detected, one where migration was purposely induced by pumping, and three where migration might be expected but was not found. In five of the nine cases of non-induced migration, the inferred migration mechanism is prompt fracture injection during detonation. In the other four cases, the inferred migration mechanism is water movement. In only a few of the reviewed cases can the actual migration mechanism be stated with confidence, and the attempt has been made to indicate the level of confidence for each case. References are cited where more information may be obtained. As an aid to future study, this document concludes with a brief discussion of the aspects of radionuclide migration that, …

Na, Co{sup 2+}, Ce{sup 3+}, and Co{sup 2+}Ce{sup 3+} exchanged A type zeolite have been tested for NO and N{sub 2}O adsorption and decomposition at room temperature. Dynamic temperature programmed desorption (TPD) studies were also carried out with these four zeolites, as well as with CeO{sub 2} and CoA zeolite mixed with CeO{sub 2}. It was demonstrated that NO was especially decomposed into N{sub 2}, with some N{sub 2}, with some N{sub 2}O, over the doubly ion exchanged CoCeA zeolite that contained 1.77 Co and 2 Ce per unit cell. Some segregation of CeO{sub 2} occurred during these experiments, and a lower content of Ce in the CoCeA zeolite might be utilizable.

A plan for management of the wildlife resources on the US Department of Energy's Oak Ridge Reservation is outlined in this document. Management includes wildlife population control (hunts, trapping, and removal), handling specific problems with wildlife, restoration of species, coordination with researchers on wildlife studies, preservation and management of habitats, and law enforcement. Wildlife resources are divided into five categories, each with a specific set of objectives and procedures for obtaining these objectives. These categories are (1) species-richness management to ensure that all resident wildlife species exist on the Reservation in viable numbers; (2) featured species management to produce selected species in desired numbers on designated land units; (3) management of game species for research, education, recreation, and public safety, (4) endangered species management designed to preserve and protect both the species and habitats critical to the survival of those species; and (5) pest management. Achievement of the objectives is a joint effort between the Tennessee Wildlife Resources Agency and the Oak Ridge National Laboratory's Environmental Sciences Division.

The Environmental Protection Department/Environmental Monitoring Section (EPD/EMS) administers the Savannah River Site's (SRS) Groundwater Monitoring Program. During fourth quarter 1991, EPD/EMS conducted extensive sampling of monitoring wells. EPD/EMS established two sets of criteria in 1986 to assist in the management of sample results. The flagging criteria do not define contamination levels; instead, they aid personnel in sample scheduling, interpretation of data, and trend identification. Beginning in 1991, the flagging criteria are based on EPA drinking water standards and method detection limits. A detailed explanation of the current flagging criteria is presented in the Flagging Criteria section of this document. Analytical results from fourth quarter 1991 are listed in this report.

During first quarter 1992, samples from the six FAC monitoring wells at the F-Area Acid/Caustic Basin were analyzed for herbicides, indicator parameters, major ions, pesticides, radionuclides, turbidity, volatile organic compounds, and other constituents. Monitoring results that exceeded the US Environmental Protection Agency Primary Drinking Water Standards (PDWS) and the Savannah River Site flagging criteria and turbidity standards during the quarter are the focus of this report.

The methods of impedance tomography may be employed to obtain images of subsurface electrical and conductivity variations. For practical reasons, voltages and currents are usually applied at locations on the ground surface or down a limited number of boreholes, but almost never over the entire surface of the region being investigated. The geophysical inversion process can be facilitated by constructing algorithms adopted to these particular geometries and to the lack of complete surface data. In this paper we assume that the fluctuations in conductivity are small compared to the background value. The imaging of these fluctuations is carried out exactly within the constraints imposed by the problem geometry. Several possible arrangements of injection and monitoring electrodes are considered. In two dimensions include: Cross-line geometry, current input along one line (borehole) and measurements along a separate parallel line. Single-line geometry, injection and monitoring using the same borehole. Surface reflection geometry, all input and measurement along the ground surface. Theoretical and practical limitations on the image quality produced by the algorithms are discussed. They are applied to several sets of simulated data, and the images produced are displayed and analyzed.

Over the last several years the long trace profiler (LTP) has been evolving into a sophisticated machine capable of measuring surface profiles of very long dimensions. This report explains improvements, both hardware and software, that have helped to achieve accuracies and ranges in surface profiling that have been unobtainable until now. A comparison made by measuring standard optical surfaces on other instruments corroborates these accuracies.

Computer simulations are used extensively in the study of the beam-beam interaction. The proliferation of such codes raises the important question of their reliability, and motivates the development of a dependable set of bench-marks. We argue that rather than detailed quantitative comparisons, the ability of different codes to predict the same qualitative physics should be used as a criterion for such bench-marks. We use the striking phenomenon of coherent quadrupole oscillations as one such bench-mark, and demonstrate that our codes do indeed observe this behaviour. We also suggest some other tests that could be used as bench-marks.

In this paper we summarize results of first-principles phase stability studies of fcc- and hcp-based Ti-Al alloys and of the hcp-based Cd-Mg system. In particular, heats of formation for ordered alloy compounds are calculated with the linear muffin tin orbital method; effective cluster interactions are determined from the results of these calculations and are used to derive thermodynamic properties and composition-temperature phase diagrams.

Tetraphonylboron (TPB) will be used to precipitate radioactive 137Cs from high level nuclear waste water, at the Defense Waste Processing Facility (DWPF) which is operated by the US Department of Energy (US DOE), at the Savannah River Site (SRS), Aiken, SC. The decontaminated wastewater will contain millimolar quantities of TPB that will be processed into salt concretions. The waste processing operations will require about 3[times]l0[sup 5] kg/yr of TPB during its full scale operation. The transportation and use of large amounts of TPB can potentially result in the release of TPB into soil or aquatic environments where its degradation will take place. Previous studies have shown that TPB degrades abiotically in soils; however, the role of specific mineral surfaces in mediating the reaction kinetics and mechanisms for the abiotic degradation of TPB are not clearly known. Laboratory studies have been undertaken to evaluate the surface facilitated degradation of TPB by aluminum silicate clay minerals-kaolinite and montmorillonite. Preliminary results indicate that the rate of degradation of TPB is much higher in kaolinite-a single layer mineral-than in montmorillonite - a double layer mineral- and Orangeburg loamy soil. The initial products of TPB degradation in both minerals are diphenylboric acid (DPBA) and biphenyl. …

In this talk I will try to review some of the early experiments in the field of electron-proton scattering, concentrating mostly on the inelastic scattering experiments at SLAC. Ordinarily, those experiments would be covered in the first five or ten minutes of the talks by Professor Scuilli and Drell, but this is a special year, and I will feel free to reminisce about the early days in a somewhat personal way.

The pore size distribution of a AAm/MAPTAC (acrylamide copolymerized with (3-methacrylamidopropyl)trimethylammonium chloride) hydrogel was investigated using Kuga's mixed-solute-exclusion method, taking into account the wall effect. A Brownian-motion model is also used. Results show the feasibility of determining pore-size distribution of porous materials using the mixed-solute-exclusion method in conjunction with solution of the Fredholm equation; good agreement was obtained with experiment, even for bimodal pore structures. However, different pore size distributions were calculated for the two different probe-solutes (Dextran and poly(ethylene glycol/oxide)). Future work is outlined. 32 figs, 25 refs.

In August of 1991, the Environmental Transport Group (ETG) began the development of an advanced Emergency Response (ER) system based upon the Colorado State University Regional Atmospheric Modeling System[sup 1] (RAMS). This model simulates the three-dimensional, time-dependent, flow field and thermodynamic structure of the planetary boundary layer (PBL). A companion Lagrangian Particle Dispersion Model[sup 2] (LPDM) simulates contaminant transport based on the flow and turbulence fields generated by RAMS. The current report describes progress to date on this project in the areas of data development, data assimilation, and operational (real-time) procedures. In particular, a diagnostic capability for simulating contaminant transport is demonstrated.

Cooperative Processes Software (CPS) is a parallel programming toolkit developed at the Fermi National Accelerator Laboratory. It is the most recent product in an evolution of systems aimed at finding a cost-effective solution to the enormous computing requirements in experimental high energy physics. Parallel programs written with CPS are large-grained, which means that the parallelism occurs at the subroutine level, rather than at the traditional single line of code level. This fits the requirements of high energy physics applications, such as event reconstruction, or detector simulations, quite well. It also satisfies the requirements of applications in many other fields. One example is in the pharmaceutical industry. In the field of computational chemistry, the process of drug design may be accelerated with this approach. CPS programs run as a collection of processes distributed over many computers. CPS currently supports a mixture of heterogeneous UNIX-based workstations which communicate over networks with TCP/IR CPS is most suited for jobs with relatively low I/O requirements compared to CPU. The CPS toolkit supports message passing remote subroutine calls, process synchronization, bulk data transfers, and a mechanism called process queues, by which one process can find another which has reached a particular state. The CPS software …

This report presents results of the radioactive demonstration of the DWPF Precipitate Hydrolysis Process as it would occur in the late wash'' flowsheet in the absence of hydroxylamine nitrate. Radioactive precipitate containing Cs-137 from the April, 1983, in-tank precipitation demonstration in Tank 48 was used for these tests.

The EPA Draft Document on EMF and Cancers grew out of an earlier effort by EPA to track biological effects literature relative to radio-frequency (RF) exposure. Scope of the document was broadened to include extremely low frequency electric and magnetic fields prior to an announcement in 1986 that EPA would formally review the whole area of non-ionizing radiation. An extensive survey of the relevant bioeffects and epidemiologic literature was carried out, and writing on the document began in earnest on the document sometime in 1989. In its draft form, the document reviewed the literature on mechanisms of Interaction between electromagnetic fields and biological tissue, EMF epidemiologic studies, supporting evidence for carcinogenicity and research needs. In the early summer of 1990, a draft of the document was reviewed by some 22 individuals within the EPA and other government agencies. It was also sent out for external review to an additional 9 qualified scientists who had worked in the area and were familiar with EMF-related literature in epidemiology, biology, and physics. Many of the comments sent to EPA from this first review, prior to release of the draft for public comment, were strikingly similar to those resulting from the second (public) review …

Parallel research studies are underway on the following interrelated and fundamental subjects; Geometrical Approach to Determining the Sticking Probability of Particles Impacting on Convex Solid Surfaces; Correlations for High Schmidt Number Particle Deposition From Dilute Flowing Rational Engineering Suspensions; Average Capture Probability of Arriving Particles Which Are Distributed With ResPect to ImPact VelocitY and Incidence Angle (Relative to Deposit Substrate); Experimental and Theoretical Studies of Vapor Infiltration of Non-isothermal Granular Deposits; Effective Area/Volume of Populations of 'MicroPorous' Aerosol Particles (Compact and 'Fractal' Quasispherical Aggregates); Effects of Radiative Heat Transfer on the Coagulation Rates of Combustion-Generated Particles; Structure-Sensitivity of Total Mass Deposition Rates from Combustion Product Streams containing Coagulation-Aged Populations of Aggregated Primary Particles; and Na[sub 2]SO[sub 4] Chemical Vapor Deposition From Chlorine-containing Coal-Derived Gases.

The current status of photoelectron and Auger-electron diffraction is reviewed, with emphasis on new directions of activity. The use of forward scattering in the study of adsorbed molecules, epitaxial overlayers, and clean surfaces is one of the most developed applications, and one that will become more powerful as higher energy resolution and perhaps spin analysis are used to resolve emitters on the basis of chemical state, position at a surface, or magnetic state. The use of larger data sets spanning a considerable fraction of the solid angle above a surface will also much enhance the structural information available, for example, in the growth of epitaxial layers or nanostructures on surfaces. Detailed fitting of experimental data to theoretical calculations based upon either single scattering or multiple scattering should also provide more rich structural information, including such parameters as substrate interlayer relaxation. Surface phase transitions in which near-surface layers become highly disordered can also be studied, with results that are complementary to those from such techniques as low energy electron diffraction and medium energy ion scattering. Short-range magnetic order also can be probed by somehow resolving the spin of the outgoing electrons, e.g. by using multiplet-split core levels.

Data generated within the Ceramic Technology Project (CTP) represent a valuable resource for both research and industry. The CTP database was created to provide easy access to this information in electronic and hardcopy forms by using a computerized database and by issuing periodic hardcopy reports on the database contents. This report is the sixth in a series of semiannual database summaries and covers recent additions to the database, including joined brazed specimen test data. It covers 1 SiC, 34 SiN, 10 whisker-reinforced SiN, 2 zirconia-toughened aluminas, 8 zirconias, and 34 joints.

Electric lighting loads and cooling from solar heat gains and from lights are the two largest components of peak demand in commercial buildings. The most cost effective demand side management solutions are generally those that directly reduce or eliminate these loads. Existing technologies can provide modest reductions, however they are typically applied an a piecemeal manner that yields less than optimal results. The full potential of existing technologies will be realized when they are commercially available in an integrated package easily specifiable by architects and engineers. Emerging technologies can also be developed to provide even greater savings and extend the savings over a greater portion of the building floor area. This report assesses achievable energy and peak demand performance in California commercial buildings with technologies available today and in the future. We characterize energy performance over a large range of building envelope and lighting conditions, both through computer simulation models and through case study measured data, and subsequently determine reasonable energy targets if building design were further optimized with integrated systems of current or new technologies. Energy targets are derived from the study after consideration of industry priorities, design constraints, market forces, energy code influence, and the state of current …

A variety of different media were used to isolate facultatively (FAB) and obligately anaerobic bacteria (OAB). These bacteria were isolated from core subsamples obtained from boreholes at the Idaho National Engineering Lab. (INEL) or at the Hanford Lab. (Yakima). Core material was sampled at various depths to 600 feet below the surface. All core samples with culturable bacteria contained at least FAB making thisthe most common physiological type of anaerobic bacteria present in the deep subsurface at these two sites. INEL core samples are characterized by isolates of both FAB and OAB. No isolates of acetogenic, methanogenic, or sulfate reducing bacteria were obtained. Yakima core samples are characterized by a marked predominance of FAB in comparison to OAB. In addition, isolates of acetogenic, methanogenic, and sulfate reducing bacteria were obtained. The Yakima site has the potential for complete anaerobic mineralization of organic compounds whereas this potential appears to be lacking at INEL.

It is a particular pleasure for me to have this opportunity to review for you the rise of colliding beams as the standard technology for high-energy-physics accelerators. My own career in science has been intimately tied up in the transition from the old fixed-target technique to colliding-beam work. I have led a kind of double life both as a machine builder and as an experimenter, taking part in building and using the first of the colliding-beam machines, the Princeton-Stanford Electron-Electron Collider, and building the most recent advance in the technology, the Stanford Linear Collider. The beginning was in 1958, and in the 34 years since there has been a succession of both electron and proton colliders that have increased the available center-of-mass energy for hard collisions by more than a factor of 1000. For the historians here, I regret to say that very little of this story can be found in the conventional literature. Standard operating procedure for the accelerator physics community has been publication in conference proceedings, which can be obtained with some difficulty, but even more of the critical papers are in internal laboratory reports that were circulated informally and that may not even have been preserved. In …

Catalytic oxidation of methane to partial oxidation products, primarily formaldehyde and C[sub 2] hydrocarbons, was found to be directed by the catalyst used. In this project, it was discovered that a moderate oxidative coupling catalyst for C[sub 2] hydrocarbons, zinc oxide, is modified by addition of small amounts of Cu and Fe dopants to yield fair yields of formaldehyde. A similar effect was observed with Cu/Sn/ZnO catalysts, and the presence of a redox Lewis acid, Fe[sup III] or Sn[sup IV], was found to be essential for the selectivity switch from C[sub 2] coupling products to formaldehyde. The principle of double doping with an oxygen activator (Cu) and the redox Lewis acid (Fe, Sn) was pursued further by synthesizing and testing the CuFe-ZSM-5 zeolite catalyst. The Cu[sup II](ion exchanged) Fe[sup III](framework)-ZSM-5 also displayed activity for formaldehyde synthesis, with space time yields exceeding 100 g/h-kg catalyst. However, the selectivity was low and earlier claims in the literature of selective oxidation of methane to methanol over CuFe-ZSM-5 were not reproduced. A new active and selective catalytic system (M=Sb,Bi,Sn)/SrO/La[sub 2]O[sub 3] has been discovered for potentially commercially attractive process for the conversion of methane to C[sub 2] hydrocarbons, (ii) a new principle has been …