Dilute indium dopants in cerium oxides and YBa{sub 2}Cu{sub 3}O{sub x} have been studied by{sup 111}In/Cd Perturbed Angular Correlation (PAC) spectroscopy. By controlling oxygen vacancy concentration in the cerium oxides through doping or high-temperature vacuum annealing, we have found that indium always forms a defect complex unless the sample is doped to reduce greatly the oxygen vacancy concentration. Three different vacancy-associated complexes are found with concentrations that depend on doping and oxygen stoichiometry. Another defect complex occurs in samples having negligible vacancy concentration. At low temperatures, evidence is found of interaction with an electronic hole trapped by {sup 111}Cd after the radioactive decay of the {sup 111}In parent. In YBa{sub 2}Cu{sub 3}O{sub x} the indium substitutes preferentially at the Y site but has measurable probability of substitution in at least one of the two copper sites. A symmetry change near 650 {degree}C is consistent with the well-documented orthorhombic/tetragonal transition for samples in air or oxygen.

Perturbed angular correlation measurements in tetragonal and cubic zirconia and in ceria are described. A physically reasonable and self-consistent interpretation of these data implies that oxygen vacancies are trapped at a second neighbor position by Cd in tetragonal zirconia and by In in ceria. For Cd in tetragonal zirconia, the vacancy trap energy is found to be 0.44 eV, and the energy barrier between adjacent trap sites is approximately 0.8 eV. The activation energy of an oxygen vacancy hopping between trap sites around {sup 111}Cd in ceria is found to be 0.55 eV. The activation energy for oxygen vacancy hopping in cubic zirconia, as detected by {sup 181}Ta PAC, is about 1.0 eV and independent of the Y concentration. 12 refs., 4 figs.

Using Blume's stochastic model and the approach of Winkler and Gerdau, we have computed-time-dependent effects on perturbed angular correlation (PAC) spectra due to defect motion in solids in the case of I = (5/2) electric quadrupole interactions. We report detailed analysis for a family of simple models: XYZ + Z'' models, in which the symmetry axis of an axial efg is allowed to fluctuate among orientations along x, y, and z axes, and a static axial efg oriented along the z axis is added to the fluctuating efgs. When the static efg is zero, this model is termed the XYZ'' model. Approximate forms are given for G{sub 2}(t) in the slow and rapid fluctuation regimes, i.e. suitable for the low and high temperature regions, respectively. Where they adequately reflect the underlying physical processes, these expressions allow one to fit PAC data for a wide range of temperatures and dopant concentrations to a single model, thus increasing the uniqueness of the interpretation of the defect properties. Application of the models are given for zirconia and ceria ceramics. 14 refs.

This is the final report of a two-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). This project sought to develop a natural-gas-powered natural-gas liquefier that has absolutely no moving parts and requires no electrical power. It should have high efficiency, remarkable reliability, and low cost. The thermoacoustic natural-gas liquefier (TANGL) is based on our recent invention of the first no-moving-parts cryogenic refrigerator. In short, our invention uses acoustic phenomena to produce refrigeration from heat, with no moving parts. The required apparatus comprises nothing more than heat exchangers and pipes, made of common materials, without exacting tolerances. Its initial experimental success in a small size lead us to propose a more ambitious application: large-energy liquefaction of natural gas, using combustion of natural gas as the energy source. TANGL was designed to be maintenance-free, inexpensive, portable, and environmentally benign.

Tritium (Tr), when released as tritiated water at a point in a uniform and relatively dry soil, redistributes in both the liquid and vapor phases. The flux density of Tr in the liquid will exceed that in the vapor phase provided the water content is greater than approximately 15% of the total soil porosity. Thus Tr redistribution must be modeled recognizing transfer ``in parallel`` in both phases. The authors use the diffusion equation cast in spherical coordinates to analyze this problem in order to provide a basis for design of field experiments, and to offer observations on the long term behavior of such systems. The solution of the diffusion equation permits calculation of the evolution of profiles of Tr concentration, within and external to the sphere of released solution, assuming the initial concentration within this sphere to be uniform. The authors also predict the rate of advance of the maximum of Tr as it advances, and attenuates, in the soil. Calculations for the case of 1 million Curies of Tr diluted in 1 liter of water and released at a depth of 20 meters, and 200 meters above the water table, are demonstrated. If the soil has an initial water …

Observations of colloidal movement under natural conditions using the colloidal borescope were conducted at several sites in the vicinity of the Massachusetts Military Reservation (MM) located on Cape Cod. The purpose of the study was to assess the reliability of the colloidal borescope and provide additional hydrogeologic data for site-characterization work. Because of the variability observed in groundwater flow at other sites, a well-characterized site was needed to test the borescope. Results of this work indicate that existing hydrologic information specific to the various sites tested at the MM compares favorably with the borehole velocity data collected with the colloidal borescope. Direction measurements at the MM, however, appear to be less reliable than at other sites tested. Most significant among factors potentially affecting direction measurements is the relatively flat hydraulic gradient at the MM, which is an order of magnitude less than at other sites. This is due to the gentle topography and the relatively high permeability of the aquifer. Under these conditions, the geometric alignment of preferential flow paths could dominate flow direction. If the gradient is increased, flow will tend to parallel the hydraulic gradient. This report describes the field site and the colloidal borescope and discusses the …

Observations of colloidal movement under natural conditions using the colloidal borescope were conducted at several sites in the vicinity of the Massachusetts Military Reservation (MM) located on Cape Cod. The purpose of the study was to assess the reliability of the colloidal borescope and provide additional hydrogeologic data for site-characterization work. Because of the variability observed in groundwater flow at other sites, a well-characterized site was needed to test the borescope. Results of this work indicate that existing hydrologic information specific to the various sites tested at the MM compares favorably with the borehole velocity data collected with the colloidal borescope. Direction measurements at the MM, however, appear to be less reliable than at other sites tested. Most significant among factors potentially affecting direction measurements is the relatively flat hydraulic gradient at the MM, which is an order of magnitude less than at other sites. This is due to the gentle topography and the relatively high permeability of the aquifer. Under these conditions, the geometric alignment of preferential flow paths could dominate flow direction. If the gradient is increased, flow will tend to parallel the hydraulic gradient. This report describes the field site and the colloidal borescope and discusses the …

This report describes, and presents the technical basis for, a methodology for performing instrument surveys to release material from radiological control, including release to controlled areas and release from radiological control. The methodology is based on a fast scan survey, a large-area wipe survey, and a series of statistical, fixed measurements. The methodology meets the requirements of the US Department of Energy Radiological Control Manual (RadCon Manual) (DOE 1994) and DOE Order 5400.5 (DOE 1990) for release of material in less time than is required by a conventional scan survey. Implementation of the proposed methodology with a confidence interval of 67% will meet the material release requirements. The material evaluation process will allow material that has not been exposed to contamination to be released from radiological control without a survey. For potential radioactive contaminants that are not reserved in DOE Order 5400.5, the methodology will allow material to be released from radiological control. For other radionuclides, with the exception of some difficult-to-detect radionuclides, material may be released for controlled use. Compared with current techniques, the proposed methodology will reduce the amount of time required to perform surveys.

The proposed "catalytic membrane sensor" (CMS) was developed to generate a device which would selectively identify a specific reagent in a complex mixture of gases. This was to be accomplished by modifying an existing Hz sensor with a series of thin films. Through selectively sieving the desired component from a complex mixture and identifying it by decomposing it into Hz (and other by-products), a Hz sensor could then be used to detect the presence of the select component. The proposed "sandwich-type" modifications involved the deposition of a catalyst layered between two size selective sol-gel layers on a Pd/Ni resistive Hz sensor. The role of the catalyst was to convert organic materials to Hz and organic by-products. The role of the membraneo was to impart both chemical specificity by molecukir sieving of the analyte and converted product streams, as well as controlling access to the underlying Pd/Ni sensor. Ultimately, an array of these CMS elements encompassing different catalysts and membranes were to be developed which would enable improved selectivity and specificity from a compiex mixture of organic gases via pattern recognition methodologies. We have successfully generated a CMS device by a series of spin-coat deposited methods; however, it was determined that …

An environmental sampling and drilling mud sampling program was conducted during the drilling operations of Continental Scientific Drilling Program (CSDP) core hole VC-2B, Valles caldera, New Mexico. A suite of four springs and creeks in the Sulphur Springs area were monitored on a regular basis to ensure that the VC-2B drilling program was having no environmental impact on water quality. In addition, a regional survey of springs in and around the Jemez Mountains was conducted to provide background data for the environmental monitoring. A drilling mud monitoring program was conducted during the operations to help identify major fluid entries in the core hole. 32 refs., 14 figs., 7 tabs.

Microwave rapid thermal annealing has been utilized to remove the lattice damage caused by nitrogen (N) ion-implantation as well as to activate the dopant in 6H-SiC. Samples were annealed at temperatures as high as 1,400 C, for 10 min. Van der Pauw Hall measurements indicate an implant activation of 36%, which is similar to the value obtained for the conventional furnace annealing at 1,600 C. Good lattice quality restoration was observed in the Rutherford backscattering and photoluminescence spectra.

The operating and mass transfer characteristics of rotating foam metal beds were studied to determine the potential for flue gas desulfurization. This is a final technical report on the work supported by DOE [number sign]FG22-87-PC79924. The report is divided into two sections, Part 1 deals primarily with the operating characteristics of rotating beds, and Part 2 covers the mass transfer characteristics of S0[sub 2] absorption in water-lime slurries. Rotating foam metal beds are in essence packed towers operated in high gravitational fields. The foam metal bed is in the form of a cylindrical donut, or torus, and is rotated to produced the high centrifugal forces. The liquid phase enters the bed at the inner surface of the torus and is pulled by the field through the bed. Gas flows countercurrent to the liquid. The bed packing can have a very large specific surface areas and not flood. Possible benefits include much smaller height of a transfer unit resulting in smaller equipment and supporting structures, reduced solvent inventory, faster response with improved process control, reduced pressure drop, and shorter startup and shut-down times. This work is concerned broadly with the operating characteristics of rotating beds, the objectives being to (1) determine …

The operating and mass transfer characteristics of rotating foam metal beds were studied to determine the potential for flue gas desulfurization. This is a final technical report on the work supported by DOE {number_sign}FG22-87-PC79924. The report is divided into two sections, Part 1 deals primarily with the operating characteristics of rotating beds, and Part 2 covers the mass transfer characteristics of S0{sub 2} absorption in water-lime slurries. Rotating foam metal beds are in essence packed towers operated in high gravitational fields. The foam metal bed is in the form of a cylindrical donut, or torus, and is rotated to produced the high centrifugal forces. The liquid phase enters the bed at the inner surface of the torus and is pulled by the field through the bed. Gas flows countercurrent to the liquid. The bed packing can have a very large specific surface areas and not flood. Possible benefits include much smaller height of a transfer unit resulting in smaller equipment and supporting structures, reduced solvent inventory, faster response with improved process control, reduced pressure drop, and shorter startup and shut-down times. This work is concerned broadly with the operating characteristics of rotating beds, the objectives being to (1) determine the …

Current supercomputers use large parallel arrays of tightly coupled processors to achieve levels of performance far surpassing conventional vector supercomputers. Shock-wave physics codes have been developed for these new supercomputers at Sandia National Laboratories and elsewhere. These parallel codes run fast enough on many simulations to consider using them to study the effects of varying design parameters on the performance of models of conventional munitions and other complex systems. Such studies maybe directed by optimization software to improve the performance of the modeled system. Using a shaped-charge jet design as an archetypal test case and the CTH parallel shock-wave physics code controlled by the Dakota optimization software, we explored the use of automatic optimization tools to optimize the design for conventional munitions. We used a scheme in which a lower resolution computational mesh was used to identify candidate optimal solutions and then these were verified using a higher resolution mesh. We identified three optimal solutions for the model and a region of the design domain where the jet tip speed is nearly optimal, indicating the possibility of a robust design. Based on this study we identified some of the difficulties in using high-fidelity models with optimization software to develop improved …

A message-passing version of the PAGOSA shock-wave physics code has been developed at Sandia National Laboratories for multiple-instruction, multiple-data stream (MIMD) computers. PAGOSA is an explicit, Eulerian code for modeling the three-dimensional, high-speed hydrodynamic flow of fluids and the dynamic deformation of solids under high rates of strain. It was originally developed at Los Alamos National Laboratory for the single-instruction, multiple-data (SIMD) Connection Machine parallel computers. The performance of Sandia`s message-passing version of PAGOSA has been measured on two MIMD machines, the nCUBE 2 and the Intel Paragon XP/S. No special efforts were made to optimize the code for either machine. The measured scaled speedup (computational time for a single computational node divided by the computational time per node for fixed computational load) and grind time (computational time per cell per time step) show that the MIMD PAGOSA code scales linearly with the number of computational nodes used on a variety of problems, including the simulation of shaped-charge jets perforating an oil well casing. Scaled parallel efficiencies for MIMD PAGOSA are greater than 0.70 when the available memory per node is filled (or nearly filled) on hundreds to a thousand or more computational nodes on these two machines, indicating that …

The origin of elevated water levels in emplacement boreholes at Pahute Mesa, Nevada Test Site, is uncertain. If the water is from naturally perched aquifers, then presumed ``above water table`` weapons tests may directly impact the groundwater quality. The purpose of this study is to determine the probable source of the elevated water in boreholes by comparing modeled seepage of infiltrated drilling fluids, and the seepage from a simulated naturally perched aquifer with the observed water level history. In the model, large volumes of water are infiltrated, yet return flow of fluids back into the hole stops within three days after the end of drilling and is insufficient to produce observed standing water. Return flow is limited for two reasons: (1) the volume of the saturated rock next to the borehole is small; (2) pressure head gradient direct unsaturated flow away from the borehole. Simulation of seepage from a naturally perched aquifer readily reproduces the observed water levels.

This report describes an advanced multichannel, on-line optical system for the non-contact measurement of forehearth glass melt temperatures at depth. The analyzer employs multiple narrow infrared (IR) band measurements of glass radiation to reconstruct the glass temperature profiles at depth. The TAS replaces expensive Tri-plex thermocouples, which frequently have service lives as short as 6 months to 1 years. By using passive non-contact sensor heads and fiber optic cables, temperature sensitive electronic components can be located at a safe distance from the hostile process environment. This provides significantly better reliability of the vulnerable electro-optic components and ready access for maintenance.

The CORCON-Mod3 computer code was developed to mechanistically model the important core-concrete interaction phenomena, including those phenomena relevant to the assessment of containment failure and radionuclide release. The code can be applied to a wide range of severe accident scenarios and reactor plants. The code represents the current state of the art for simulating core debris interactions with concrete. This document comprises the user`s manual and gives a brief description of the models and the assumptions and limitations in the code. Also discussed are the input parameters and the code output. Two sample problems are also given.

Hydrous Metal Oxides (HMOs) are chemically synthesized materials that, because of their high cation exchange capacity, possess a unique ability to allow the preparation of highly dispersed supported-metal catalyst precursors with high metal loadings. This study evaluates high weight loading Rh/HMO catalysts with a wide range of HMO support compositions, including hydrous titanium oxide (HTO), silica-doped hydrous titanium oxide (HTO:Si), hydrous zirconium oxide (HZO), and silica-doped hydrous zirconium oxide (HZO:Si), against conventional oxide-supported Rh catalysts with similar weight loadings and support chemistries. Catalyst activity measurements for a structure-sensitive model reaction (n-butane hydrogenolysis) as a function of catalyst activation conditions show superior activity and stability for the ZrO{sub 2}, HZO, and HZO:Si supports, although all of the Rh/HMO catalysts have high ethane selectivity indicative of high Rh dispersion. For the TiO{sub 2}-, HTO-, and HTO:Si supported Rh catalysts, a significant loss of both catalyst activity and Rh dispersion is observed at more aggressive activation conditions, consistent with TiO{sub x} migration associated with SMSI phenomena. Of all the Rh/HMO catalysts, the Rh/HZO:Si catalysts appear to offer the best tradeoff in terms of high Rh dispersion, high activity, and high selectivity.

Geraghty & Miller, Inc. of Midland, Texas conducted a geohydrologic study of the Michigan Basin to evaluate the applicability of Jack McIntyre`s patented process for gas recovery and water disposal in production wells. A review of available publications was conducted to identify, (1) natural gas reservoirs which generate large quantities of gas and water, and (2) underground injection zones for produced water. Research efforts were focused on unconventional natural gas formations. The Antrim Shale is a Devonian gas shale which produces gas and large quantities of water. Total 1992 production from 2,626 wells was 74,209,916 Mcf of gas and 25,795,334 bbl of water. The Middle Devonian Dundee Limestone is a major injection zone for produced water. ``Waterless completion`` wells have been completed in the Antrim Shale for gas recovery and in the Dundee Limestone for water disposal. Jack McIntyre`s patented process has potential application for the recovery of gas from the Antrim Shale and simultaneous injection of produced water into the Dundee Limestone.

Data Quality Objectives (DQOs) for generic waste storage tank vapor and gas sampling were developed in facilitated meetings and a stakeholder review session, using the most recent US EPA DQO guidelines. These meetings elicited DQOs for two major vapor problem areas: flammability and toxicity. This is a summary of the outputs of the planning team for each of the 7 steps of the DQO process.

Passive sampling for monitoring volatile organic compounds (VOCs) has been suggested as a possible replacement to the traditional bailer method used at the Department of Energy Kansas City Plant (KCP) for routine groundwater monitoring. To compare methods, groundwater samples were collected from 19 KCP wells with VOC concentrations ranging from non-detectable to > 100,000 {micro}g/L. Analysis of the data was conducted using means and medians of multiple measurements of TCE, 1,2-DCE, 1,1-DCE and VC. All 95% confidence intervals of these VOCs overlap, providing evidence that the two methods are similar. The study also suggests that elimination of purging and decontamination of sampling equipment reduces the labor required to sample by approximately 32%. Also, because the passive method generates no waste water, there are no associated disposal costs. The results suggest evidence to continue studies and efforts to replace traditional bailer methods with passive sampling at KCP based on cost and the similarity of the methods.

Nine shallow (c70 ft), closely spaced core holes were continuously cored in the upper units of the 1.22 Ma Tshirege Member of the Bandelier Tuff at Technical Area (TA)-3 of the Los Alamos National Laboratory. The goal of the investigation was to identify faults that may have potential for earthquake-induced surface rupture at the site of the Chemistry and Metallurgy Research (CMR) building, a sensitive Laboratory facility that houses nuclear materials research functions. The holes were located from 25 ft to 115 ft from the building perimeter. Careful mapping of Lithologic sequences in cores, supplemented with focused sampling for geochemical analyses, yielded high confidence in the accuracy of delineating buried contacts within the Tshirege Member. Geologic analysis and investigation of the trends of surfaces interpolated from contacts in the core holes using commercially available software helped infer minor faulting in the strata beneath the building. Results show that gently north-northeast-dipping beds underlie the CMR building. The tilted beds are faulted by two small, closely spaced, parallel reverse faults with a combined vertical separation of approximately 8 ft. The faults are inferred from lithologically and geochemically repeated sections of core at about 55-ft depth in hole SHB-CMR-6. The data from nearby …

The Whole-Building Energy Design Targets project is being conducted for the US Department of Energy (DOE) by the Pacific Northwest Laboratory (PNL). The objective of the project is to develop a flexible methodology for setting energy performance guidelines with which architects, engineers, planners, and owners can assess energy efficiency in commercial building design. This volume, the third in the four-volume report on the Targets project concept stage, contains the minutes of the workshops as well as summaries of the expert's written comments prepared at the close of each workshop. In Section 2, the building energy simulation workshop is summarized. Section 3 provides a summary of the building cost workshop.