Publications

Cathodolurninescence (CL) characterization in a demountable vacuum chamber is an important benchmarking tool for flat-panel display phosphors and screens. The proper way to perform these measurements is to minimize the effects of secondary electrons, excite the phosphor/screen with a uniform beam profile, and maintain a clean vacuum environment. CL measurements are important for preliminary evaluation and lifetesting of phosphor powders and screens prior to incorporation into the FPD. A survey of many CL characterization systems currently in use revealed the myriad of spectroradiometers, colorimeters, electron guns, vacuum pumps, mass spectrometers, etc. that introduce many avenues for error that are often difficult to isolate. A preliminary round-robin experiment was coordinated by Sandia and invoIved five other research groups. The purpose of this experiment was to obtain an indication of equipment capabilities and instrument variations, as well as reliability and consistency of results. Each group was asked to measure the luminence (cd/m{sup 2}) and chromaticity coordinates of a Y{sub 3}Al{sub 2}Ga{sub 3}O{sub 12}: Tb pellet and calculate the luminous efficiency. Pellets were chosen in order to reduce errors associated with processing and handling of powders or screens. Some of the data reported in this experiment were in good agreement while others differed significantly. Determining sources of error in CL measurements is an ongoing effort. By performing this experiment, we were able to identify some of the causes of error and develop a characterization protocol for display phosphors.

The successful commercialization of MicroElectroMechanical Systems (MEMS) is an essential prerequisite for their implementation in many critical government applications. Several unique challenges must be overcome to achieve this widespread commercialization. Challenges associated with design realization and reliability assurance are discussed, along with approaches taken by Sandia to successfully overcome these challenges.

Semiconductor microlasers are attractive components for micro-analysis systems because of their ability to emit coherent intense light from a small aperture. By using a surface-emitting semiconductor geometry, we were able to incorporate fluid flow inside a laser microcavity for the first time. This confers significant advantages for high throughput screening of cells, particulates and fluid analytes in a sensitive microdevice. In this paper we discuss the intracavity microfluidics and present preliminary results with flowing blood and brain cells.

The interface between liquid hexadecane and the (010) surface of silicalite was studied by molecular dynamics. The structure of molecules in the interracial region is influenced by the presence of pore mouths on the silicalite surface. For this surface, whose pores are the entrances to straight channels, the concentration profile for partially absorbed molecules is peaked around 10 monomers inside the zeolite. No preference to enter or exit the zeolite based on absorption length is observed except for very small or very large absorption lengths. We also found no preferential conformation of the unabsorbed tails for partially absorbed molecules.

This report summarizes some challenges associated with the use of computational science to predict the behavior of complex phenomena. As such, the document is a compendium of ideas that have been generated by various staff at Sandia. The report emphasizes key components of the use of computational to predict complex phenomena, including computational complexity and correctness of implementations, the nature of the comparison with data, the importance of uncertainty quantification in comprehending what the prediction is telling us, and the role of risk in making and using computational predictions. Both broad and more narrowly focused technical recommendations for research are given. Several computational problems are summarized that help to illustrate the issues we have emphasized. The tone of the report is informal, with virtually no mathematics. However, we have attempted to provide a useful bibliography that would assist the interested reader in pursuing the content of this report in greater depth.

Electron and negative ion density have been measured in a modfied Applied Materials DPS metal etch chamber using gas mixtures of BCl{sub 3}, Cl{sub 2} and Ar. Measurements were performed for four dflerent substrate types to examine the influence of surface material on the bulk plasma properties; aluminurq alumina, photoresist and 50 percent patterned aluminum / photoresist. Electron densities in the Cl{sub 2} / BCl{sub 3} mixtures varied from 0.25 to 4 x 10{sup 11} cm{sup -3}. Photodetachment measurements of the negative ion density indicate that the negative ion density was smaller than the electron density and that the electron to negative ion density ratio varied between 1 and 6. The presence of photoresist had a dominant intluence on the electron and negative ion density compared to alumina and aluminum surfaces. In most cases, the electron density above wafers covered with photoresist was a factor of two lower while the negative ion density was a factor of two higher than the aluminum or alumina surfaces.

Structured mesh quality optimization methods are extended to optimization of unstructured triangular, quadrilateral, and mixed finite element meshes. N"ew interpretations of well-known nodally-bssed objective functions are made possible using matrices and matrix norms. The matrix perspective also suggests several new objective functions. Particularly significant is the interpretation of the Oddy metric and the Smoothness objective functions in terms of the condition number of the metric tensor and Jacobian matrix, respectively. Objective functions are grouped according to dimensionality to form weighted combinations. A simple unconstrained local optimum is computed using a modiiied N-ewton iteration. The optimization approach was implemented in the CUBIT mesh generation code and tested on several problems. Results were compared against several standard element-based quaIity measures to demonstrate that good mesh quality can be achieved with nodally-based objective functions.

Capacitor designs for DOE and/or DoD applications are now driven by two major factors; first, the need to reduce component volumes (attain higher energy density) to permit inclusion of additional components and/ or sensors in systems and second, the continuing budget constraints. The reduced volume and cost must be achieved with no sacrifices in functionality, reliability and safety. Since this study was initiated, we have seen a general, continuous increase in resulting short-time breakdown (STB) values, with particular improvements noted on thermal cycled capacitors. Process and results support our prediction that a 50Y0-650A volume reduction can be achieved with no reduction in performance and reliability.

Smoke can cause electronic equipment to fail through increased leakage currents and shorts. Sandia National Laboratories is studying the increased leakage currents caused by smoke with varying characteristics. The objective is to develop models to predict the failure of electronic equipment exposed to smoke. This requires the collection of data on the conductivity of smoke and knowledge of critical electrical systems that control high-consequence operations. We have found that conductivity is a function of the type of fuel, how it is burned, and smoke density. Video recordings of highly biased dc circuits exposed in a test chamber show that during a fire, smoke is attracted to high voltages and can build fragile carbon bridges that conduct leakage currents. The movement of air breaks the bridges, so the conductivity decreases after the fire is extinguished and the test chamber is vented. During the fire, however, electronic equipment may not operate correctly, leading to problems for critical operations dependent on electronic control. The potential for electronic failure is highly dependent on the type of electrical circuit, and Sandia National Laboratories plans to include electrical circuit modeling in the failure models.

When external electric fields are applied to phosphors the cathodoluminescence (CL) at low beam energies is strongly affected. This experiment has been carried out on a variety of common phosphors used in cathode ray tube applications, and the electron beam energy, beam current, and electric field dependence of the CL are thoroughly characterized. It is found that the general features of these effects, particular y the strong polarity and beam energy dependence, are consistent with a model which assumes that the main effect of the electric fields is to alter the populations of electrons `and holes at the phosphor surface. This in turn, modulates the non-radiative energy losses that strongly affect the low-beam-energy CL efficiency. Because the external fields are applied without any direct contact to the phosphor material, the large changes seen in the CL decay rapidly as the beam-created electrons and holes polarize, shielding the externally applied bias. These results have important implications for designing phosphors which might be efficient at low electron energies.

The Solar Two project is a collaborative, cost-shared project between eleven US industry and utility partners and the U.S. Department of Energy to validate the molten-salt power tower technology. The Solar Two plant, located east of Barstow, CA, comprises 1926 heliostats, a receiver, a thermal storage system and a steam generator system that use molten nitrate salt as the heat transfer fluid and storage media. The steam generator powers a 10 MWe, conventional Rankine cycle turbine. This paper describes the test plan and evaluations currently in progress at Solar Two and provides some recent results.

This paper investigates dhlerent strategies that can be used to improve the tracking accuracy of heliostats at Solar Two. The different strategies are analyzed using a geometrical error model to determine their performance over the course of a day. By using the performance of heliostats in representative locations of the field aad on representative days of the year, an estimate of the annual performance of each strategy is presented.

Sucker rod pumps are installed in approximately 90% of all oil wells in the U.S. Although they have been widely used for decades, there are many issues regarding the fluid dynamics of the pump that have not been fully investigated. A project was conducted at Sandia National Laboratories to develop unimproved understanding of the fluid dynamics inside a sucker rod pump. A mathematical flow model was developed to predict pressures in any pump component or an entire pump under single-phase fluid and pumping conditions. Laboratory flow tests were conducted on instrumented individual pump components and on a complete pump to verify and refine the model. The mathematical model was then converted to a Visual Basic program to allow easy input of fluid, geometry and pump parameters and to generate output plots. Examples of issues affecting pump performance investigated with the model include the effects of viscosity, surface roughness, valve design details, plunger and valve pressure differentials, and pumping rate.

Accurate control of the electrode gap in a vacuum arc remelting (VAR) furnace has been a goal of melters for many years. The size of the electrode gap has a direct influence on ingot solidification structure. At the high melting currents (30 to 40 kA) typically used for VAR of segregation insensitive Ti and Zr alloys, process voltage is used as an indicator of electrode gap, whereas drip-short frequency (or period) is usually used at the lower currents (5 to 8 kA) employed during VAR of superalloys. Modem controllers adjust electrode position or drive velocity to maintain a voltage or drip-short frequency (or period) set-point. Because these responses are non-linear functions of electrode gap and melting current, these controllers have a limited range for which the feedback gains are valid. Models are available that relate process voltage and drip-short frequency to electrode gap. These relationships may be used to linearize the controller feedback signal. An estimate of electrode gap may then be obtained by forming a weighted sum of the independent gap estimates obtained from the voltage and drip-short signals. By using multiple independent measures to estimate the gap, a controller that is less susceptible to process disturbances can be developed. Such a controller was designed, built and tested. The tests were carried out at Allvac Corporation during VAR of 12Cr steel at intermediate current levels.

The papers in this special issue have been selected from the systems and balance-of- systems sessions at the 1998 Photovoltaic Performance and Reliability Workshop. The workshop was held November 3-5, 1998 and hosted by the Florida Solar Energy Center, Cocoa Beach, Florida under sponsorship of the US National Center for Photovoltaics (National Renewable Energy Laboratory and Sandia National Laboratories). The topics and issues addressed by these papers were identified in an invited review paper on PV systems by the guest editors. Their work was published earlier this year in Volume 7, Number 1 of Progress in Photovoltaics ('Photovoltaic Systems: An End-of-Millennium Review'). Experts in the PV community were asked to make presentations on these topics at the workshop. The papers that follow are the results of that effort. The papers are organized by topic: (1) codes and standards; (2) reliability; (3) design issues; and (4) commercialization.

Article 690, Solar Photovoltaic Power Systems, has been in the National Electrical Code (NEC) since 1984. An NFPA-appointed Task Group for Article 690 proposed changes to Article 690 for both the 1996 and 1999 codes. The Task Group, supported by more than 50 professionals from throughout the photovoltaic (PV) industry, met seven times during the 1999 code cycle to integrate the needs of the industry with the needs of electrical inspectors and end users to ensure the safety of PV systems. The Task Group proposed 57 changes to Article 690, and all the changes were accepted in the review process. The performance and cost of PV installations were always a consideration as these changes were formed but safety was the number-one priority. All of the proposals were well substantiated and coordinated throughout the PV industry and with representatives of Underwriters Laboratories, Inc (UL). The most significant changes that were made in Article 690 for the 1999 NEC along with some of the rationale are discussed in the remainder of this article.

We have developed instrumentation to enable the combination of surface acoustic wave (SAW) sensor measurements with direct, in-situ molecular spectroscopic measurements to understand the response of the SAW sensors with respect to the interfacial chemistry of surface-confined sensing films interacting with gas-phase analytes. Specifically, the instrumentation and software was developed to perform in-situ Fourier-transform infrared external-reflectance spectroscopy (FTIR-ERS) on operating SAW devices during dosing of their chemically modified surfaces with analytes. By probing the surface with IR spectroscopy during gas exposure, it is possible to understand in unprecedented detail the interaction processes between the sorptive SAW coatings and the gaseous analyte molecules. In this report, we provide details of this measurement system, and also demonstrate the utility of these combined measurements by characterizing the SAW and FTIR-ERS responses of organic thin-film sensor coatings interacting with gas-phase analytes.

Arrays of unheated chemically sensitive resistors (chemiresistors) can serve as extremely small, low-power-consumption sensors with simple read-out electronics. We report here results on carbon-loaded polymer composites, as well as polymeric ionic conductors, as chemiresistor sensors. We use the volubility parameter concept to understand and categorize the chemiresistor responses and, in particular, we compare chemiresistors fabricated from polyisobutylene (PIB) to results from PIB-coated acoustic wave sensors. One goal is to examine the possibility that a small number of diverse chemiresistors can sense all possible solvents-the "Universal Solvent Sensor Array". keywords: chemiresistor, volubility parameter, chemical sensor

The effects of nitrided SiO{sub 2}/Si(100) interfaces upon cycling endurance in silicon-oxide-nitride-oxide-silicon (SONOS) non-volatile memory transistors are investigated. Analysis of MOSFET sub-threshold characteristics indicate cycling degradation to be a manifestation of interface state (D{sub it}) generation at the tunnel oxide/silicon interface. After 10{sup 6} write/erase cycles, SONOS film stacks prepared with nitrided tunnel oxides exhibit enhanced cycling endurance with {Delta}D{sub it}=3x10{sup 12} V{sup -1}cm{sup -2}, compared to {Delta}D{sub it}=2x10{sup 13} V{sup -l}cm{sup -2} for non-nitrided tunnel oxides. Additionally, if the capping oxide is formed by steam oxidation, rather than by deposition, SONOS stacks prepared with non-nitrided tunnel oxides exhibit endurance characteristics similar to stacks with nitrided tunnel oxides. From this observation it is concluded that latent nitridation of the tunnel oxidehilicon interface occurs during steam oxide cap formation.

Growth kinetics, mechanisms, and material quality in GaN epitaxial lateral over-growth (ELO) were examined using a single mask of systematically varied patterns. A 2-D gas phase reaction/diffusion model describes how transport of the Ga precursor to the growth surface enhances the lateral rate in the early stages of growth. In agreement with SEM studies of truncated growth runs, the model also predicts the dramatic decrease in the lateral rate that occurs as GaN over-growth reduces the exposed area of the mask. At the point of convergence, a step-flow coalescence mechanism is observed to fill in the area between lateral growth-fronts. This alternative growth mode in which a secondary growth of GaN is nucleated along a single convergence line, may be responsible for producing smooth films observed to have uniform cathodoluminescence (CL) when using 1{micro}m nucleation zones. Although emission is comprised of both UV ({approximately}365nm) and yellow ({approximately}550nm) components, the spectra suggest these films have reduced concentrations of threading dislocations normally associated with non-radiative recombination centers and defects known to accompany growth-front convergence lines.

The organization and assembly of molecules in cellular membranes is orchestrated through the recognition and binding of specific chemical signals. A simplified version of the cellular membrane system has been developed using a synthetically prepared membrane receptor incorporated into a biologically derived lipid bilayer. Through an interplay of electrostatic and van der Wards interactions, aggregation or dispersion of molecular components could be executed on command using a specific chemical signal. A pyrene fluorophore was used as an optical probe to monitor the aggregational state of the membrane receptors in the bilayer matrix. The pyrene excimer emission to monomer emission (E/M) intensity ratio gave a relative assessment of the local concentration of receptors in the membrane. Bilayers were prepared with receptors selective for the divalent metal ions of copper, mercury, and lead. Addition of the metal ions produced a rapid dispersion of aggregated receptor components at nano- to micro-molar concentrations. The process was reversible by sequestering the metal ions with EDTA. Receptors for proteins and polyhistidine were also prepared and incorporated into phosphatidylcholine lipid bilayers. In this case, the guest molecules bound to the membrane through multiple points of interaction causing aggregation of initially dispersed receptor molecules. The rapid, selective, and sensitive fluorescence optical response of these lipid assemblies make them attractive in sensor applications for aqueous phase metal ions and polypeptides.

The National Electrical Code@ (NEC@) focuses primarily on electrical system installation requirements in the U.S. The NEC addresses both fire and personnel safety. This paper will describe recent efforts of the PV industry in the U.S. and the resulting requirements in the 1999 National Electrical Code-- Article 690 --Solar Photovoltaic Systems. The Article 690 requirements spell out the PV-unique requirements for safe installations of PV systems in the U.S.A. This paper provides an overview of the most significant changes that appear in Article 690 of the 1999 edition of the NEC. The related and coordinated efforts of the other standards- making groups will also be briefly reviewed.

Using surface micromachined samples, we demonstrate the accurate measurement of cantilever beam adhesion by using test structures which are adhered over long attachment lengths. We show that this configuration has a deep energy well, such that a fracture equilibrium is easily reached. When compared to the commonly used method of determining the shortest attached beam, the present method is much less sensitive to variations in surface topography or to details of capillary drying.

Abstract not provided.

Over the past decade, Sandia National Laboratories has been involved in the development of receivers to transfer energy from the focus of a parabolic dish concentrator to the heater tubes of a Stirling engine. Through the isothermal evaporation and condensation of sodium. a heat-pipe receiver can efficiently transfer energy to an engine's working fluid and compensate for irregularities in the flux distribution that is delivered by the concentrator. The operation of the heat pipe is completely passive because the liquid sodium is distributed over the solar-heated surface by capillary pumping provided by a wick structure. Tests have shown that using a heat pipe can boost the system performance by twenty percent when compared to directly illuminating the engine heater tubes. Designing heat pipe solar receivers has presented several challenges. The relatively large area ({approximately}0.2 m{sup 2}) of the receiver surface makes it difficult to design a wick that can continuously provide liquid sodium to all regions of the heated surface. Selecting a wick structure with smaller pores will improve capillary pumping capabilities of the wick, but the small pores will restrict the flow of liquid and generate high pressure drops. Selecting a wick that is comprised of very tine filaments can increase the permeability of the wick and thereby reduce flow losses, however, the fine wick structure is more susceptible to corrosion and mechanical damage. This paper provides a comprehensive review of the issues encountered in the design of heat pipe solar receivers and solutions to problems that have arisen. Topics include: flow characterization in the receiver, the design of wick systems. the minimization of corrosion and dissolution of metals in sodium systems. and the prevention of mechanical failure in high porosity wick structures.

High integrity/high consequence systems must be safe and reliable; hence it is only logical that both software safety and software reliability cases should be developed. Risk assessments in safety cases evaluate the severity of the consequences of a hazard and the likelihood of it occurring. The likelihood is directly related to system and software reliability predictions. Software reliability cases, as promoted by SAE JA 1002 and 1003, provide a practical approach to bridge the gap between hardware reliability, software reliability, and system safety and reliability by using a common methodology and information structure. They also facilitate early insight into whether or not a project is on track for meeting stated safety and reliability goals, while facilitating an informed assessment by regulatory and/or contractual authorities.

The Boeing Company's Dish Engine Critical Component (DECC) project started in April of 1998. It is a continuation of a solar energy program started by McDonnell Douglas (now Boeing) and United Stirling of Sweden in the mid 1980s. The overall objectives, schedule, and status of this project are presented in this paper. The hardware test configuration, hardware background, operation, and test plans are also discussed. A summary is given of the test data, which includes the daily power performance, generated energy, working-gas usage, mirror reflectivity, solar insolation, on-sun track time, generating time, and system availability. The system performance based upon the present test data is compared to test data from the 1984/88 McDonnell Douglas/United Stirling AB/Southem California Edison test program. The test data shows that the present power, energy, and mirror performance is comparable to when the hardware was first manufactured 14 years ago.

Motion detectors consisting of Pb(Zr{sub x}Ti{sub (1{minus}x)})O{sub 3} (PZT) thin films, between platinum electrodes, on micromachined silicon compound clamped-clamped or cantilever beam structures were fabricated using either hot KOH or High Aspect Ratio Silicon Etching (HARSE) to micromachine the silicon. The beams were designed such that a thicker region served as a test mass that produced stress at the top of the membrane springs that supported it when the object to which the detector was mounted moved. The PZT film devices were placed on these membranes to generate a charge or a voltage in response to the stress through the piezoelectric effect. Issues of integration of the PZT device fabrication process with the two etching processes are discussed. The effects of PZT composition and device geometry on the response of the detectors to motion is reported and discussed.

We have developed a variety of processes for fabricating components for micro devices based on deep x-ray lithography (DXRL). Although the techniques are applicable to many materials, we have demonstrated them using hard (Nd{sub 2}Fe{sub 14}B) and soft (Ni-Zn ferrite) magnetic materials because of the importance of these materials in magnetic micro-actuators and other devices and because of the difficulty fabricating them by other means. The simplest technique involves pressing a mixture of magnetic powder and a binder into a DXRL-formed mold. In the second technique, powder is pressed into the mold and then sintered to densify. The other two processes involve pressing at high temperature either powder or a dense bulk material into a ceramic mold that was previously made using a DXRL mold. These techniques allow arbitrary 2-dimensional shapes to be made 10 to 1000 micrometers thick with in-plane dimensions as small as 50 micrometers and dimensional tolerances in the micron range. Bonded isotropic Nd{sub 2}Fe{sub 14}B micromagnets made by these processes had an energy product of 7 MGOe.

This Institutional Plan is the most comprehensive yearly "snapshot" available of Sandia National Laboratories' major programs, facilities, human resources, and budget. The document also includes overviews of our missions, organization, capabilities, planning functions, milestones, and accomplishments. The document's purpose is to provide the above information to the US Department of Energy, key congressional committees, Sandia management, and other present and potential customers. Chapter 2 presents information about Sandia's mission and summarizes our recent revision of Sandia's Strategic Plan. Chapter 3 presents an overview of Sandia's strategic objectives, chapter 4 lists laboratory goals and milestones for FY 1999, and chapter 5 presents our accomplishments during FY 1998. Chapters 3 through 5 are organized around our eight strategic objectives. The four primary objectives cover nuclear weapons responsibilities, nonproliferation and materials control, energy and critical infrastructures, and emerging national security threats. The major programmatic initiatives are presented in chapter 7. However, the programmatic descriptions in chapter 6 and the Associated funding tables in chapter 9 continue to be presented by DOE Budget and Reporting Code, as in previous Sandia institutional plans. As an aid to the reader, the four primary strategic objectives in chapter 3 are cross-referenced to the program information in chapter 6.

Mining has always had an important influence on cultures and traditions of communities around the globe and throughout history. Today, because mining legislation places heavy emphasis on environmental protection, there is great interest in having a comprehensive understanding of ancient mining and mining sites. Multi-disciplinary approaches (i.e., Pb isotopes as tracers) are being used to explore the distribution of metals in natural environments. Another successful approach is to model solution migration numerically. A proven method to simulate solution migration in natural rock salt has been applied to project through time for 10,000 years the system performance and solution concentrations surrounding a proposed nuclear waste repository. This capability is readily adaptable to simulate solution migration around mining.

While many research and development activities take place at Sandia National Laboratories' Intelligent Systems and Robotics Center (ISRC), where the "rubber meets the road" is in the ISRC'S delivered systems. The ISRC has delivered several systems over the last few years that handle hazardous materials on a daily basis, and allow human workers to move to a safer, supervisory role than the "hands-on" operations that they used to perform. The ISRC at Sandia performs a large range of research and development activities, including development and delivery of one-of-a-kind robotic systems for use with hazardous materials. Our mission is to create systems for operations where people can't or don't want to perform the operations by hand, and the systems described in this article are several of our first-of-a-kind deliveries to achieve that mission.

Many applications produce three-dimensional points that must be further processed to generate a surface. Surface reconstruction algorithms that start with a set of unorganized points are extremely time-consuming. Often, however, points are generated such that there is additional information available to the reconstruction algorithm. We present a specialized algorithm for surface reconstruction that is three orders of magnitude faster than algorithms for the general case. In addition to sample point locations, our algorithm starts with normal information and knowledge of each point's neighbors. Our algorithm produces a localized approximation to the surface by creating a star-shaped triangulation between a point and a subset of its nearest neighbors. This surface patch is extended by locally triangulating each of the points along the edge of the patch. As each edge point is triangulated, it is removed from the edge and new edge points along the patch's edge are inserted in its place. The updated edge spirals out over the surface until the edge encounters a surface boundary and stops growing in that direction, or until the edge reduces to a small hole that fills itself in.

Hydrogen-metal interaction phenomena belong to the most exciting challenges of today's physical metallurgy and physics of solids due to the uncommon behavior of hydrogen in condensed media and to the need for understanding hydrogen's strong negative impact on properties of some high-strength steels and.alloys. The paper cites and summarizes research data on fundamental thermodynamic characteristics of hydrogen in some metals that absorb it endothermally at elevated temperatures. For a number of metal-hydrogen systems, information on some phase diagrams previously not available to the English-speaking scientific community is presented.

Experimental data on directional and bulk solidification of hydrogen-charged samples of aluminum alloy A356 and nickel alloy Inconel 718 are discussed. The solidification structure of the porous zone is shown to be dependent on many process variables. Of these variables, hydrogen content in the melt prior to solidification, and furnace atmospheric pressure during solidification play the decisive role. Also important are the furnace atmosphere composition, the solidification velocity, and the temperature distribution of the liquid metal inside the mold.

With the demonstration of the viability of using the electroslag remelting process for the decontamination of radionuclides, interest has increased in examining the unique aspects associated with melting steel pipe electrodes. These electrodes consist of several nested pipes, welded concentrically to atop plate. Since these electrodes can be half as dense as a solid electrode, they present unique challenges to the standard algorithms used in controlling the melting process. Naturally the electrode must be driven down at a dramatically increased speed. However, since the heat transfer is greatly influenced and enhanced with the increased area to volume ratio, considerable variation in the melting rate of the pipes has been found. Standard control methods can become unstable as a result of the variation at increased speeds, particularly at shallow immersion depths. The key to good control lies in the understanding of the melting process. Several experiments were conducted to observe the characteristics of the melting using two different control modes. By using a pressure transducer to monitor the pressure inside the pipes, the venting of the air trapped inside the electrode was observed. The measurements reveal that for a considerable amount of time. the pipes are not completely immersed in the slag, allowing the gas inside to escape without the formation of bubbles. This result has implications for the voltage swing as well as for the decontamination reactions.

The mission of this project was to use inverse micelle solutions to synthesize nanometer sized metal particles and test the particles as catalysts in the liquefaction of coal and other related reactions. The initial focus of the project was the synthesis of iron based materials in pseudo-homogeneous form. The frost three chapters discuss the synthesis, characterization, and catalyst testing in coal liquefaction and model coal liquefaction reactions of iron based pseudo-homogeneous materials. Later, we became interested in highly dispersed catalysts for coprocessing of coal and plastic waste. Bifunctional catalysts . to hydrogenate the coal and depolymerize the plastic waste are ideal. We began studying, based on our previously devised synthesis strategies, the synthesis of heterogeneous catalysts with a bifunctional nature. In chapter 4, we discuss the fundamental principles in heterogeneous catalysis synthesis with inverse micelle solutions. In chapter 5, we extend the synthesis of chapter 4 to practical systems and use the materials in catalyst testing. Finally in chapter 6, we return to iron and coal liquefaction now studied with the heterogeneous catalysts.

The role of additive noble gases He, Ar and Xe to C&based Inductively Coupled Plasmas for etching of GaN, AIN and InN were examined. The etch rates were a strong function of chlorine concentration, rf chuck power and ICP source power. The highest etch rates for InN were obtained with C12/Xe, while the highest rates for AIN and GaN were obtained with C12/He. Efficient breaking of the 111-nitrogen bond is crucial for attaining high etch rates. The InN etching was dominated by physical sputtering, in contrast to GaN and AIN. In the latter cases, the etch rates were limited by initial breaking of the III-nitrogen bond. Maximum selectivities of -80 for InN to GaN and InN to AIN were obtained.

Sputter-deposited W-based contacts on p-GaN (N{sub A} {approximately} 10{sup 18} cm{sup {minus}3}) display non-ohmic behavior independent of annealing temperature when measured at 25 C. The transition to ohmic behavior occurs above {approximately} 250 C as more of the acceptors become ionized. The optimum annealing temperature is {approximately} 700 C under these conditions. These contacts are much more thermally stable than the conventional Ni/Au metallization, which shows a severely degraded morphology even at 700 C. W-based contacts may be ohmic as-deposited on very heavily doped n-GaN, and the specific contact resistance improves with annealing up to {approximately} 900 C.

We show that the low-temperature conductance (G) of a quantum point contact consisting of ballistic tunnel-coupled double-layer quantum well wires is modulated by an in-layer magnetic field B{sub {parallel}} perpendicular to the wires due to the anticrossing. In a system with a small g factor, B{sub {parallel}} creates a V-shaped quantum staircase for G, causing it to decrease in steps of 2e{sup 2}/{Dirac_h} to a minimum and then increase to a maximum value, where G may saturate or decrease again at higher B{sub {parallel}}'s. The effect of B{sub {parallel}}-induced mass enhancement and spin splitting is studied. The relevance of the results to recent data is discussed.

Intramolecular cyclizations during acid-catalyzed, sol-gel polymerizations of ct,co- bis(tietioxysilyl)aWmes substintidly lengtien gelties formonomers witietiylene- (l), propylene- (2), and butylene-(3)-bridging groups. These cyclizations reactions were found, using mass spectrometry and %i NMR spectroscopy, to lead preferentially to monomeric and dimeric products based on six and seven membered disilsesquioxane rings. 1,2- Bis(triethoxysilyl)ethane (1) reacts under acidic conditions to give a bicyclic drier (5) that is composed of two annelated seven membered rings. Under the same conditions, 1,3- bis(triethoxysilyl)propane (2), 1,4-bis(triethoxysilyl)butane (3), and z-1,4- bis(triethoxysilyl)but-2-ene (10) undergo an intramolecular condensation reaction to give the six membemd and seven membered cyclic disilsesquioxanes 6, 7, and 11. Subsequently, these cyclic monomers slowly react to form the tricyclic dirners 8,9 and 12. With NaOH as polymerization catalyst these cyclic silsesquioxanes readily ~aeted to afford gels that were shown by CP MAS z%i NMR and infr=d spectroscopes to retain some cyclic structures. Comparison of the porosity and microstructwe of xerogels prepared from the cyclic monomers 6 and 7 with gels prepared directly from their acyclic precursors 2 and 3, indicate that the final pore structure of the xerogels is markedly dependent on the nature of the precursor. In addition, despite the fact that the monomeric cyclic disilsesquioxane species can not be isolated from 1-3 under basic conditions due to their rapid rate of gelation, spectroscopic techniques also detected the presence of the cyclic structures in the resulting polymeric gels.

The focus of this work will be to simulate a harsh, blast environment on a space structure. Data from a reverse Hopkinson bar (RHB) test is used to generate the response to a symmetric, distributed load. The RHB generates a high-amplitude, high-frequency content, concentrated pulse that excites components at near-blast levels. The transfer functions generated at discrete points, with the RHB, are used to generate an experimental model of the structure, which is then used in conjunction with the known pressure distribution, to estimate the component response to a blast. The shock spectrum of the predicted response and the actual response compared well in two of the three cases presented.

The objectives for the ASP large early release frequency (LERF) model development work is to build a Level 2 containment response model that would capture all of the events necessary to define LERF as outlined in Regulatory Guide 1.174, can be directly interfaced with the existing Level 1 models, is technically correct, can be readily modified to incorporate new information or to represent another plant, and can be executed in SAPHIRE. The ASP LERF models being developed will meet these objectives while providing the NRC with the capability to independently assess the risk impact of plant-specific changes proposed by the utilities that change the nuclear power plants' licensing basis. Together with the ASP Level 1 models, the ASP LERF models provide the NRC with the capability of performing equipment and event assessments to determine their impact on a plant's LERF for internal events during power operation. In addition, the ASP LERF models are capable of being updated to reflect changes in information regarding the system operations and phenomenological events, and of being updated to assess the potential for early fatalities for each LERF sequence. As the ASP Level 1 models evolve to include more analysis capabilities, the LERF models will also be refined to reflect the appropriate level of detail needed to demonstrate the new capabilities. An approach was formulated for the development of detailed LERF models using the NUREG-1150 APET models as a guide. The modifications to the SAPHIRE computer code have allowed the development of these detailed models and the ability to analyze these models in a reasonable time. Ten reference LERF plant models, including six PWR models and four BWR models, which cover a wide variety of containment and nuclear steam supply systems designs, will be complete in 1999. These reference models will be used as the starting point for developing the LERF models for the remaining nuclear power plants.

Pulsed-power-driven Z pinches, produced by imploding cylindrical arrays of many wires, have generated very high x-ray radiation powers (> 200 TW) and energies (2 MJ). Experiments have revealed a steady improvement in Z-pinch performance with increasing wire number at fixed total mass and array radius. The dominant mechanism acting to limit the performance of these devices is believed to be the Rayleigh-Taylor instability which broadens the radially imploding plasma sheath and consequently reduces the peak radiation power. A model is presented which describes an amplification over the two-dimensional Rayleigh-Taylor growth rate brought about by kink-like forces on the individual wires. This amplification factor goes to zero as the number of wires approaches infinity. This model gives results which are in good agreement with the experimental data and provides a scaling for wire-array Z pinches. © 1999 American Institute of Physics.

GaN implanted with donor(Si, S, Se, Te) or acceptor (Be, Mg, C) species was annealed at 900-1500°C using AlN encapsulation. No redistribution was measured by SIMS for any of the dopants and effective diffusion coefficients are ≤2×10-13 cm2 · s-1 at 1400°C, except Be, which displays damage-enhanced diffusion at 900°C and is immobile once the point defect concentration is removed. Activation efficiency of ∼90% is obtained for Si at 1400°C. TEM of the implanted material shows a strong reduction in lattice disorder at 1400-1500°C compared to previous results at 1100°C. There is minimal interaction of the sputtered AlN with GaN under our conditions, and it is readily removed selectively with KOH.

A metal ion sensitive, fluorescent lipid-bilayer material (5% PSIDA/DSPC) was successfully immobilized in a silica matrix using a tetramethoxysilane (TMOS) sol-gel procedure. The sol-gel immobilization method was quantitative in the entrapment of self-assembled lipid-bilayers and yielded thin films for facile configuration to optical fiber platforms. The silica matrix was compatible with the solvent sensitive lipid bilayers and provided physical stabilization as well as biological protection. Immobilization in the silica sol-gel produced an added benefit of improving the bilayer's metal ion sensitivity by up to two orders of magnitude. This enhanced performance was attributed to a preconcentrator effect from the anionic surface of the silica matrix. Thin gels (193 micron thickness) were coupled to a bifurcated fiber optic bundle to produce a metal ion sensor probe. Response times of 10 - 15 minutes to 0.1 M CuCl2 were realized with complete regeneration of the sensor using an ethylenediaminetetraacetic acid (EDTA) solution.

The microstructural evolution of heavily deformed polycrystalline Cu is simulated by coupling a constitutive model for polycrystal plasticity with the Monte Carlo Potts model for grain growth. The effects of deformation on boundary topology and grain growth kinetics are presented. Heavy deformation leads to dramatic strain-induced boundary migration and subsequent grain fragmentation. Grain growth is accelerated in heavily deformed microstructures. The implications of these results for the thermomechanical fatigue failure of eutectic solder joints are discussed.

A GaN based depletion mode metal oxide semiconductor field effect transistor (MOSFET) was demonstrated using Ga2O3(Gd2O3) as the gate dielectric. The MOS gate reverse breakdown voltage was >35 V which was significantly improved from 17 V of Pt Schottky gate on the same material. A maximum extrinsic transconductance of 15 mS/mm was obtained at Vds = 30 V and device performance was limited by the contact resistance. A unity current gain cut-off frequency, fT, and maximum frequency of oscillation, fmax of 3.1 and 10.3 GHz, respectively, were measured at Vds = 25 V and Vgs = -20 V.

Microscopic calculations of the absorption and luminescence spectra are presented for wide bandgap Ga1-xInxN/GaN quantum well systems. Whereas structures with narrow well widths exhibit the usual excitation-dependent bleaching of the exciton resonance without shifting spectral position, a significant blueshift of the exciton peak is obtained for wider quantum wells. This blueshift, which is also present in the excitation-dependent luminescence spectra, is attributed to the interplay between the screening of a strain induced piezoelectric field and the density dependence of many-body Coulomb effects. The calculations also show an over two orders of magnitude increase in the spontaneous electron-hole-pair lifetime with well width, due to the reduction of the electron-hole wave function overlap in the wider wells. The resulting decrease in spontaneous emission loss is predicted to lead to improved threshold properties in wide quantum well lasers. © 1999 The American Physical Society.

An expression for the coarsening rate of the Pb-rich phase particles was determined through isothermal aging experiments and comparative literature data as: λ = λo+{[4.10×10-5 e-11023/T+15.6×10-8 e-3123/T (dγ/dt)]t}0.256 where γo and γ are the initial and final mean Pb-rich particle diameters, respectively (mm); T is temperature (°K); t is time (s); and dγ/dt is the strain rate (s-1). The phase coarsening behavior showed good agreement with previous literature data from isothermal aging experiments. The power-law exponent, p, for the Pb-rich phase size coarsening kinetics: γp-γop≈t increased from a value of 3.3 at the low aging temperature regime (70-100 °C) to a value of 5.1 at the high temperature regime (135-170 °C), suggesting that the number of short-circuit diffusion paths had increased with further aging. This expression provides an important basis for the microstructurally-based, constitutive equation used in the visco-plastic model for TMF in Sn-Pb solder. The revised visco-plastic model was exercised using a through-hole solder joint configuration. Initial data indicate a satisfactory compatibility between the coarsening expression and the constitutive equations.

In-situ filling through hydrolysis and condensation of silicon alkoxides dissolved into polymers has been utilized to generate nanocomposites in which the filler phase can be intimately associated with the polymer on relatively small length scales. One problem of the method has been achieving useful fill volumes without bulk phase separation of the growing inorganic component from the polymer. In this paper, we describe the preparation of a new class of nanocomposite materials in which the inorganic filler phase is pre-assembled before copolymerization with an organic monomer. Maleimide monomers, prepared from alkoxysilylpropyl amines and maleic anhydride, were protected against side reactions by forming the oxonorbornene Diels-Alder adduct with furan. The monomers were then reacted under sol-gel conditions to form oligomers or polymers making up the filler phase. The material was activated by thermal deprotection of the maleimide and reacted with organic monomers or polymers to form the filled nanocomposite.

Progress towards the development of such algorithms as been reported for waveguide analysis'-3and vertical-cavity laser simulation. In all these cases, the higher accuracy order was obtained for a single spatial dimension. More recently, this concept was extended to differencing of the Helmholtz Equation on a 2-D grid, with uniform regions treated to 4th order and dielectric interfaces to 3'd order5. No attempt was made to treat corners properly. In this talk I will describe the extension of this concept to allow differencing of the Helmholtz Equation on a 2-D grid to 6* order in uniform regions and 5* order at dielectric interfaces. In addition, the first known derivation of a finite difference equation for a dielectric comer that allows correct satisfaction of all boundary conditions will be presented. This equation is only accurate to first order, but as will be shown, results in simulations that are third-order-accurate. In contrast to a previous approach3 that utilized a generalized Douglas scheme to increase the accuracy order of the difference second derivative, the present method invokes the Helmholtz Equation itself to convert derivatives of high order in a single direction into mixed

The computing power available to scientists and engineers has increased dramatically in the past decade, due in part to progress in making massively parallel computing practical and available. The expectation for these machines has been great. The reality is that progress has been slower than expected. Nevertheless, massively parallel computing is beginning to realize its potential for enabling significant breakthroughs in science and engineering. This paper provides a perspective on the state of the field, colored by the authors' experiences using large-scale parallel machines at Sandia National Laboratories. We address trends in hardware, system software and algorithms, and we also offer our view of the forces shaping the parallel computing industry.

To physically investigate permeability upscaling, over 13,000 permeability values were measured with four different sample supports (i.e., sample volumes) on a block of Berea Sandstone. At each sample support, spatially exhaustive permeability datasets were measured, subject to consistent flow geometry and boundary conditions, with a specially adapted minipermeameter test system. Here, we present and analyze a subset of the data consisting of 2304 permeability values collected from a single block face oriented normal to stratification. Results reveal a number of distinct and consistent trends (i.e., upscaling) relating changes in key summary statistics to an increasing sample support. Examples include the sample mean and semivariogram range that increase with increasing sample support and the sample variance that decreases. To help interpret the measured mean upscaling, we compared it to theoretical models that are only available for somewhat different flow geometries. The comparison suggests that the nonuniform flow imposed by the minipermeameter coupled with permeability anisotropy at the scale of the local support (i.e., smallest sample support for which data is available) are the primary controls on the measured upscaling. This work demonstrates, experimentally, that it is not always appropriate to treat the local-support permeability as an intrinsic feature of the porous medium, that is, independent of its conditions of measurement.

Isotopic labeling experiments have revealed correlations between hydrogen reactions, Ga desorption, and ammonia decomposition in GaN CVD. Low energy electron diffraction (LEED) and temperature programmed desorption (TPD) were used to demonstrate that hydrogen atoms are available on the surface for reaction after exposing GaN(001) to deuterium at elevated temperatures. Hydrogen reactions also lowered the temperature for Ga desorption significantly. Ammonia did not decompose on the surface before hydrogen exposure. However, after hydrogen reactions altered the surface, N15H3 did undergo both reversible and irreversible decomposition. This also resulted in the desorption of N2 of mixed isotopes below the onset of GaN sublimation. This suggests that the driving force of the high nitrogen-nitrogen bond strength (226 kcal/mol) can lead to the removal of nitrogen from the substrate when the surface is nitrogen rich. Overall, these findings indicate that hydrogen can influence GaN CVD significantly, being a common factor in the reactivity of the surface, the desorption of Ga, and the decomposition of ammonia.

Advanced rechargeable lithium-ion batteries are presently being developed and commercialized worldwide for use in consumer electronics, military and space applications. The motivation behind these efforts involves, among other things, a favorable combination of energy and power density. For some of the applications the power sources may need to perform at a reasonable rate at subambient temperatures. Given the nature of the lithium-ion cell chemistry the low temperature performance of the cells may not be very good. At Sandia National Laboratories, we have used different electrochemical techniques such as impedance and charge/discharge at ambient and subambient temperatures to probe the various electrochemical processes that are occurring in Li-ion cells. The purpose of this study is to identify the component that reduces the cell performance at subambient temperatures. We carried out 3-electrode impedance measurements on the cells which allowed us to measure the anode and cathode impedances separately. Our impedance data suggests that while the variation in the electrolyte resistance between room temperature and -20°C is negligible, the cathode electrolyte interfacial resistance increases substantially in the same temperature span. We believe that the slow interfacial charge transfer kinetics at the cathode electrolyte may be responsible for the increase in cell impedance and poor cell performance. © Copyright 1999 Society of Automotive Engineers, Inc.

This paper addresses key issues for the cost-effective use of COTS (Commercially available Off The Shelf) microelectronics in radiation environments that enable circuit or system designers to manage risks and ensure mission success. We review several factors and tradeoffs affecting the successful application of COTS parts including (1) hardness assurance and qualification issues, (2) system hardening techniques, and (3) life-cycle costs. The paper also describes several experimental studies that address trends in total-dose, transient, and single-event radiation hardness as COTS technology scales to smaller feature sizes. As an example, the level at which dose-rate upset occurs in Samsung SRAMs increases from 1.4x10s rad(Si)/s for a 256K SRAM to 7.7xl09rad(Si)/s for a 4M SRAM, indicating unintentional hardening improvements in the design or process of a commercial technology. Additional experiments were performed to quantify variations in radiation hardness for COTS parts. In one study, only small (10-15%) variations were found in the dose-rate upset and latchup thresholds for Samsung 4M SRAMs from three different date codes. In another study, irradiations of 4M SRAMs from Samsung, Hitachi, and Toshiba indicate large differences in total-dose radiation hardness. The paper attempts to carefully define terms and clear up misunderstandings about the definitions of "COTS'1 and "radiation-hardened (RH)" technology. © 1999 IEEE.

The rutile TiO2(110) (1 × 1) surface is considered the prototypical 'well-defined' system in the surface science of metal oxides. Its popularity results partly from two experimental advantages: (i) bulk-reduced single crystals do not exhibit charging, and (ii) stoichiometric surfaces, as judged by electron spectroscopies, can be prepared reproducibly by sputtering and annealing in oxygen. We present results that show that this commonly applied preparation procedure may result in a surface structure that is by far more complex than generally anticipated. Flat, (1 × 1)-terminated surfaces are obtained by sputtering and annealing in ultrahigh vacuum. When re-annealed in oxygen at moderate temperatures (470-660 K), irregular networks of partially connected, pseudohexagonal rosettes (6.5 × 6 Å wide), one-unit cell wide strands, and small (≈tens of Å) (1 × 1) islands appear. This new surface phase is formed through reaction of oxygen gas with interstitial Ti from the reduced bulk. Because it consists of an incomplete, kinetically limited (1 × 1) layer, this phenomenon has been termed 'restructuring'. We report a combined experimental and theoretical study that systematically explores this restructuring process. The influence of several parameters (annealing time, temperature, pressure, sample history, gas) on the surface morphology is investigated using STM. The surface coverage of the added phase as well as the kinetics of the restructuring process are quantified by LEIS and SSIMS measurements in combination with annealing in 18O-enriched gas. Atomic models of the essential structural elements are presented and are shown to be stable with first-principles density functional calculations. The effect of oxygen-induced restructuring on surface chemistry and its importance for TiO2 and other bulk-reduced oxide materials is briefly discussed.

We describe the microfabrication of an extremely compact optical system as a key element in an integrated capillary channel electrochromatograph with fluorescence detection. The optical system consists of a vertical cavity surface-emitting laser (VCSEL), two high performance microlenses, and a commercial photodetector. The microlenses are multilevel diffractive optics patterned by electron beam lithography and etched by reactive ion etching in fused silica. The design uses substrate-mode propagation within the fused silica substrate. Two generations of optical subsystems are described. The first generation design has a 6 mm optical length and is integrated directly onto the capillary channel-containing substrate. The second generation design separates the optical system onto its own substrate module and the optical path length is further compressed to 3.5 mm. The first generation design has been tested using direct fluorescence detection with a 750 nm VCSEL pumping a 10-4 M solution of CY-7 dye. The observed signal-to-noise ratio of better than 100:1 demonstrates that the background signal from scattered pump light is low despite the compact size of the optical system and is adequate for system sensitivity requirements. © 1999 American Vacuum Society.

A computational procedure for extracting substructure-by-substructure flexibility properties from global modal parameters is presented. The present procedure consists of two key features: an element-based direct flexibility method, which uniquely determines the global flexibility without resorting to case-dependent redundancy selections, and the projection of kinematically inadmissible modes that are contained in the iterated substructural matrices. The direct flexibility method is used as the basis of an inverse problem, whose goal is to determine substructural flexibilities given the global flexibility, geometrically determined substructural rigid-body modes, and the local-to-global assembly operators. The resulting procedure, given accurate global flexibility, extracts the exact element-by-element substructural flexibilities for determinate structures. For indeterminate structures, the accuracy depends on the iteration tolerance limits. The procedure is illustrated using both simple and complex numerical examples and appears to be effective for structural applications such as damage localization and finite element model reconciliation.

Evidence for capillary waves at a liquid-vapor interface are presented from extensive molecular dynamics simulations of a system containing up to 1.24 million Lennard-Jones particles. Careful measurements show that the total interfacial width depends logarithmically on L∥, the length of the simulation cell parallel to the interface, as predicted theoretically. The strength of the divergence of the interfacial width on L∥ depends inversely on the surface tension γ. This allows us to measure γ two ways since γ can also be obtained from the difference in the pressure parallel and perpendicular to the interface. These two independent measures of γ agree provided that the interfacial order parameter profile is fit to an error function and not a hyperbolic tangent, as often assumed. We explore why these two common fitting functions give different results for γ.

Previous photopumping studies of coupled vertical cavity laser structures have demonstrated three mode coupling (two photonic and one excitonic), dual wavelength emission, and short pulse generation. This paper reports on electrically injected coupled resonator vertical-cavity laser diodes, including two novel modulation approaches.

Consider the 2-matching problem defined on the complete graph, with edge costs which satisfy the triangle inequality. We prove that the value of a minimum cost 2-matching is bounded above by 4/3 times the value of its linear programming relaxation, the fractional 2-matching problem. This lends credibility to a long-standing conjecture that the optimal value for the traveling salesman problem is bounded above by 4/3 times the value of its linear programming relaxation, the subtour elimination problem. © Springer-Verlag 1999.

Diamond films were grown by chemical deposition of hydrocarbon species in a vapor composed predominantly of hydrogen. The rate constants of the surface reactions and the concentrations of the gas-phase species were used as input to a variable time step Monte Carlo algorithm, which simulates the evolution of the diamond growth surface by tracking the occupancies of surface sites. The results of the combined tight binding and density functional theory quantum mechanical calculations are presented, suggesting that the etching of isolated, monomolecular moieties occurred at an appreciable rate, while etching from larger carbon islands was nor favorable.

We study the low-temperature in-plane magnetoresistance of tunnel-coupled quasi-one-dimensional quantum wires. The wires are defined by two pairs of mutually aligned split gates on opposite sides of a ⩽1-μm-thick (Formula presented) double-quantum-well heterostructure, allowing independent control of the width of each quantum well. In the ballistic regime, when both wires are defined and the field is perpendicular to the current, a large resistance peak at ∼6 T is observed with a strong gate voltage dependence. The data are consistent with a counting model whereby the number of subbands crossing the Fermi level changes with field due to the formation of an anticrossing in each pair of one-dimensional subbands. © 1999 The American Physical Society.

We describe a very-low power consumption circuit for processing the pulses from a semiconductor radiation detector. The circuit was designed for use with a cadmium zinc telluride (CZT) detector for unattended monitoring of stored nuclear materials. The device is intended to be battery powered and operate at low duty-cycles over a long period of time. This system will provide adequate performance for medium resolution gamma-ray pulse-height spectroscopy applications. The circuit incorporates the functions of a charge sensitive preamplifier, shaping amplifier, and peak sample and hold circuit. An application specific integrated circuit (ASIC) version of the design has been designed, built and tested. With the exception of the input field effect transistor (FET), the circuit is constructed using bipolar components. In this paper the design philosophy and measured performance characteristics of the circuit are described.

We report the stability of TlBa2CaCu2O7 and Tl2Ba2CaCu2O8 on LaAlO3(100) epitaxial thin films, under a variety of conditions. All films are stable in acetone and methanol and with repeated thermal cycling to cryogenic temperatures. Moisture, especially vapor, degrades film quality rapidly. These materials are stable to high temperatures in either N2 or O2 ambients. While total degradation, resulting from Tl depletion, occurs at the same temperatures for both phases, 600 °C in N2 and 700 °C in O2, the onset of degradation occurs at somewhat lower temperatures for TlBa2CaCu2O7 than for Tl2Ba2CaCu2O8.

Tailoring of porous materials involves not only chemical synthetic techniques for tailoring microscopic properties such as pore size, pore shape, pore connectivity, and pore surface reactivity, but also materials processing techniques for tailoring the meso- and the macroscopic properties of bulk materials in the form of fibers, thin films and monoliths. These issues are addressed in the context of five specific classes of porous materials: oxide molecular sieves, porous coordination solids, porous carbons, sol-gel derived oxides, and porous heteropolyanion salts. Reviews of these specific areas are preceded by a presentation of background material and review of current theoretical approaches to adsorption phenomena. A concluding section outlines current research needs and opportunities.

A new multidimensional high lateral resolution ion beam analysis technique, ion-electron emission microscopy (IEEM) is described. Using MeV energy ions, IEEM is shown to be capable of ion beam induced charge collection (IBICC) measurements in semiconductors. IEEM should also be capable of microscopically and multidimensionally mapping the surface and bulk composition of solids. As such, IEEM has nearly identical capabilities as traditional nuclear microprobe analysis, with the advantage that the ion beam does not have to be focused. The technique is based on determining the position where an individual ion enters the surface of the sample by projection secondary electron emission microscopy. The x-y origination point of a secondary electron, and hence the impact coordinates of the corresponding incident ion, is recorded with a position sensitive detector connected to a standard photoemission electron microscope (PEEM). These signals are then used to establish coincidence with IBICC, atomic, or nuclear reaction induced ion beam analysis signals simultaneously caused by the incident ion. © 1999 Elsevier Science B.V. All rights reserved.

A series of controlled impact experiments has been performed to determine the shock loading and release behavior of two types of concrete, differentiated by aggregate size, but with average densities varying by less than 2 percent. Hugoniot stress and subsequent release data was collected over a range of approximately 3 to 25 GPa using a plate reverberation technique in combination with velocity interferometry. The results of the current data are compared to those obtained in previous studies on concrete with a different aggregate size but similar density. Results indicate that the average loading and release behavior are comparable for the three types of concrete discussed in this paper. Residual strain is also indicated from these measurements. © 1999 Elsevier Science Ltd. All rights reserved.

Project 'Rolling Thunder' is a dish/Stirling demonstration project at Ft. Huachuca in southeastern Arizona. As part of the project, Sandia decided to retrofit a SOLO 161 Stirling engine on the CPG-460 at Ft. Huachuca. Although the SOLO 161 PCU has operated nearly flawlessly and the CPG-460 has been, for the most part, a solid and reliable component, integration of the SOLO PCU with the CPG-460 into a functional system required significant attention.

Resistive bolometry is an accurate, robust, spectrally broadband technique for measuring absolute x-ray fluence and flux. Bolometry is an independent technique for x-ray measurements that is based on a different set of physical properties than other diagnostics such as x-ray diodes, photoconducting detectors, and P-I-N diodes. Bolometers use the temperature-driven change in element resistivity to determine the total deposited energy. The calibration of such a device is based on fundamental material properties and its physical dimensions. We describe the use of nickel and gold bolometers to measure x rays generated by high-power z pinches on Sandia's Saturn and Z accelerators. The Sandia bolometer design described herein has a pulse response of ∼1 ns. We describe in detail the fabrication, fielding, and data analysis issues leading to highly accurate x-ray measurements. The fundamental accuracy of resistive bolometry will be discussed. © 1999 American Institute of Physics.

We have developed a comprehensive diagnostic package for observing z-pinch radiation along the pinch axis on the Z accelerator. The instrumentation, fielded on the axial package, are x-ray diagnostics requiring direct lines of sight to the target. The diagnostics require vacuum access to the center of the accelerator. The environment is a hostile one, where we must deal with an intense, energetic photon flux (>100 keV) debris (e.g., bullets or shrapnel), and mechanical shock in order for the diagnostics to survive. In addition, practical constraints require the package be refurbished and utilized on a once a day shot schedule. In spite of this harsh environment, we have successfully fielded the diagnostic package with a high survivability of the data and the instruments. In this article, we describe the environment and issues related to the reentrant diagnostic package's implementation and maintenance. © 1999 American Institute of Physics.

Lattice defects are introduced into the structure to suppress the motion of magnetic vortices and enhance the critical current density in high temperature superconductors. Point defects are not very effective pinning sites for the cuprate superconductors; however, extended defects, such as linear tracks, have been shown to be strong pinning sites. We study the superconducting cuprate Tl-2212 (the numbers designate Tl-Ba-Ca-Cu stoichiometry). Large enhancements of vortex pinning potential were observed in Tl-2212 after high-intermediate energy heavy-ion irradiations where non-continuous extended defects were induced at dE/dx of 9 to 15.2 keV/nm (60 MeV Au, 60 MeV Cu, and 30 MeV Au) and continuous linear defects were induced at 19.5 keV/nm (88 MeV Au). Our research addresses the question of pinning in highly anisotropic materials like Tl-2212 where the vortices are `pancakes' rather than `rods' and suitable defect structures may be discontinuous extended damage domains. The defect microstructure and the effectiveness of the pinning potential in Tl-2212 after irradiation by intermediate energy Au at lower dE/dx of 5-15 keV/nm, where recoils are more significant, is studied using high resolution transmission electron microscopy digital imaging and a SQUID magnetometer. The nature of the ion irradiation damage at these intermediate dE/dx will be correlated to the average vortex pinning potential and the TRIMRC calculations for recoils.

Sol-gel processing of materials is plagued by shrinkage during polymerization of the alkoxide monomers and processing (aging and drying) of the resulting gels. We have developed a new class of hybrid organic-inorganic materials based on the solventless ring-opening polymerization (ROP) of monomers bearing the 2,2,5,5-tetramethyl-2,5-disilaoxacyclopentyl group, which permits us to drastically reduce shrinkage in sol-gel processed materials. Because the monomers are polymerized through a chain growth mechanism catalyzed by base rather than the step growth mechanism normally used in sol-gel systems, hydrolysis and condensation products are entirely eliminated. Furthermore, since water is not required for hydrolysis, an alcohol solvent is not necessary. Monomers with two disilaoxacyclopentyl groups, separated by a rigid phenylene group or a more flexible alkylene group, were prepared through disilylation of the corresponding diacetylenes, followed by ring closure and hydrogenation. Anionic polymerization of these materials, either neat or with 2,2,5,5-tetramethyl-2,5-disila-1-oxacyclopentane as a copolymer, affords thermally stable transparent gels with no visible shrinkage. These materials provide an easy route to the introduction of sol-gel type materials in encapsulation of microelectronics, which we have successfully demonstrated.

Thermally stimulated current (TSC) techniques provide information about oxide-trap charge densities and energy distributions in MOS (metal-oxide-semiconductor) capacitors exposed to ionizing radiation or high-field stress that is difficult or impossible to obtain via standard capacitance-voltage or current-voltage techniques. The precision and reproducibility of measurements through repeated irradiation/TSC cycles on a single capacitor is demonstrated with a radiation-hardened oxide, and small sample-to-sample variations are observed. A small increase in E′δ center density may occur in some non-radiation-hardened oxides during repeated irradiation/TSC measurement cycles. The importance of choosing an appropriate bias to obtain accurate measurements of trapped charge densities and energy distributions is emphasized. A 10 nm deposited oxide with no subsequent annealing above 400 °C shows a different trapped-hole energy distribution than thermally grown oxides, but a similar distribution to thermal oxides is found for deposited oxides annealed at higher temperatures. Charge neutralization during switched-bias irradiation is found to occur both because of hole-electron annihilation and increased electron trapping in the near-interfacial SiO2. Limitations in applying TSC to oxides thinner than approximately 5 nm are discussed.

The grown-in tensile strain, due to a lattice mismatch between AlGaN and GaN, is responsible for the observed cracking that seriously limits the feasibility of nitride-based ultraviolet (UV) emitters. We report in-situ monitoring of strain/stress during MOCVD of AlGaN based on a wafer-curvature measurement technique. The strain/stress measurement confirms the presence of tensile strain during growth of AlGaN pseudomorphically on a thick GaN layer. Further growth leads to the onset of stress relief through crack generation. We find that the growth of AlGaN directly on low-temperature (LT) GaN or AlN buffer layers results in a reduced and possibly controllable strain.

A comparison of KOH, NaOH and AZ400K solutions for UV photo-assisted etching of undoped and n+ GaN is discussed. The etching is diffusion-limited (Ea < 6kCal·mol-1) under all conditions and is significantly faster with bias applied to the sample during light exposure. No etching of InN was observed, due to the very high n-type background doping (> 1020cm-3) in the material.

Stiff polyelectrolytes are found to spontaneously form oriented bundles. Conditions under which bundling occurs are found. Molecular dynamics simulations show that divalent counterions are necessary, and the chains must be sufficiently long and stiff. No aggregation occurs for monovalent counterions. For flexible or short chains, aggregation occurs but bundle formation does not. Because of dynamical constraints, the systems tend to order into a network of connected bundles, not a single bundle. © 1999 The American Physical Society.

A critical issue in the long-term reliability of solder connections used in electronic packages is joint failure during thermal cycling. At present, solder is assumed to be a homogeneous single-phase metal in most finite element analyses to predict solder joint fatigue failures. However, in the last decade, several metallurgical studies have shown that solder microstructure may have a role in early solder joint failures. Investigators have observed that solder microstructure coarsens in local bands during aging and during thermal cycle fatigue. In a failed solder joint, the fatigue cracks are found in these bands of coarse grains. It is speculated that the grain coarsening increases local strains within the microstructure, thereby increasing the likelihood for a crack to initiate. The objective of this study is to model and simulate the effect of grain coarsening on local stresses and strains. During solidification of eutectic Pb/Sn solder, two types of microstructures form: lamellar and equiaxed. In this study, the author has developed a computer code to generate both types of microstructures of varying grain coarseness. This code is incorporated into the finite element code that analyzes the local stresses and strains within the computer-generated microstructure. The FE code, specifically developed for this study, uses an algorithm involving the sparse matrix and iterative solver. This code on a typical single-processor machine will allow the analyst to use over 1 million degrees of freedom.

The minimum expended energy for fracture is the free energy required to form two new surfaces. For intergranular fracture, the minimum surface formation energy is complicated by the rough fracture surface, with area greater than the specimen cross-section. We utilize network optimization algorithms (max-flow/min-cut) to determine the minimum surface formation energies and surfaces for intergranular fracture in 3D polycrystals. For equiaxed grains and uniform boundary strength, the minimum energy fracture area is independent of grain size and is 45% larger than the specimen cross-section, and intergranular fracture will occur when surface energy is less than 1.6 times the grain boundary energy. The 3D fracture area is larger than projected from 2D systems. In systems with microcracked boundaries, the fracture surface deviates to preferentially include microcracked boundaries, creating interlocking grain configurations. Two-dimensional percolation of microcracks occurs at about 80% microcracked boundaries.

An integrated microsystem to detect traces of chemical agents (pChemLab™) is being developed at Sandia for counter-terrorism and nonproliferation applications. This microsystem has two modes of operation: liquid and gas phase detection. For the gas phase detection. we are integrating these critical components: a preconcentrator for sample collection, a gas chromatographic (GC) separator, a chemically selective flexural plate wave (FPW) anay mass detector, and a latching valve onto a single chip. By fabricating these components onto a single integrated system (pChemLab™on a chip), the advantages of reduced dead volume, lower power consumption, and smaller physical size can be realized. In this paper, the development of a latching valve will be presented. The key design parameters for this latching valve are: a volumetric flow rate of 1 mL/min, a maximum hold-off pressure of 40 kPa (6 psi), a relatively low power, and a fast response time. These requirements have led to the design of a magnetically actuated latching relay diaphragm valve. Magnetic actuation is chosen because it can achieve sufficient force to effectively seal against back pressure and its power consumption is relatively low. The actuation time is rapid, and valve can latch in either an open or closed state. A corrugated parylene membrane is used to separate the working fluid from internal components of the valve. Corrugations in the parylene ensure that the diaphragm presents minimum resistance to the actuator for a relativley large deflection. Two different designs and their performance of the magnetic actuation have been evaluated. The first uses a linear magnetic drive mechanism, and the second uses a relay mechanism. Preliminary results of the valve performance indicates that the required driving voltage is about 10 volts, the measured flow rate is about 50 mL/min, and it can hold off pressure of about 5 psi (34 kPa). Latest modifications of the design show excellent performance improvements.

In the ℓ-phylogeny problem, one wishes to construct an evolutionary tree for a set of species represented by characters, in which each state of each character induces no more than ℓ connected components. We consider the fixed-topology version of this problem for fixed-topologies of arbitrary degree. This version of the problem is known to be NP-comPlete for ℓ ≥ 3 even for degree-3 trees in which no state labels more than ℓ+ 1 leaves (and therefore there is a trivial ℓ + 1 phytogeny). We give a 2-approximation algorithm for all ℓ ≥ 3 for arbitrary input topologies and we give an optimal approximation algorithm that constructs a 4-phylogeny when a 3-phylogeny exists. Dynamic programming techniques, which are typically used in fixed-topology problems, cannot be applied to ℓ-phylogeny problems. Our 2-approximation algorithm is the first application of linear programming to approximation algorithms for phylogeny problems. We extend our results to a related problem in which characters are polymorphic.

Evaluation of battery and other energy-storage technologies for stationary uses is progressing rapidly toward application-specific testing. This testing uses computer-based data acquisition and control equipment, active electronic loads and power supplies, and customized software, to enable sophisticated test regimes which simulate actual use conditions. These simulated-use tests provide more accurate performance and life evaluations than simple constant resistance or current testing regimes. Several organizations are cooperating to develop simulated-use tests for utility-scale storage systems, especially battery energy-storage systems (BESSs). Some of the tests use stepped constant-power charge and discharge regimes to simulate conditions created by electric utility applications such as frequency regulation (FR) and spinning reserve (SR). Other test profiles under development simulate conditions for the energy-storage component of remote-area power supplies (RAPSs) which include renewable and/or fossil-fuelled generators. Various RAPS applications have unique sets of service conditions that require specialized test profiles. Almost all RAPS tests and many tests that represent other stationary applications need, however, to simulate significant time periods that storage devices operate at low-to-medium states-of-charge without full recharge. Consideration of these and similar issues in simulated-use test regimes is necessary to predict effectively the responses of the various types of batteries in specific stationary applications. This paper describes existing and evolving stationary applications for energy-storage technologies and test regimes which are designed to simulate them. The paper also discusses efforts to develop international testing standards.

SolarPACES (Solar Power and Chemical Energy Systems) is the International Energy Agency's solar thermal working group. To date, research and development activities sponsored by the group have helped reduce the cost of solar thermal systems to one-fifth that of the early pilot plants. This report presents the collective position of the SolarPACES community on solar thermal electricity-generating technology. Topics discussed include the current status of the technology and likely near-term improvements, the needs of target markets, and important technical and financial issues that must be resolved for success in near-term global markets.

Some time ago we presented evidence that, under nonhydrostatic loading, the F{sub R1} {r_arrow} A{sub O} polymorphic phase transformation in unpoled PZT 95/5-2Nb ceramic began when the maximum compressive stress equaled the hydrostatic pressure at which the transformation otherwise took place. More recently, we showed that this simple stress criterion did not apply to nonhydrostatically compressed, poled ceramic. However, unpoled ceramic is isotropic, whereas poled ceramic has a preferred crystallographic orientation and is mechanically anisotropic. If we further assume that the transformation depends not only on the magnitude of the compressive stress, but also its orientation relative to some feature(s) of PZT 95/5-2Nb's crystallography, then these disparate results can be qualitatively resolved. In this report, we first summarize the existing results for unpoled and poled ceramic. Using our orientation-dependent hypothesis and these results, we derive simple arithmetic expressions that accurately describe our previously-observed effects of nonhydrostatic stress on the transformation of unpoled ceramic. We then go on to test new predictions based on the orientation-dependent model. It has long been known that the transformation can be triggered in uniaxial compression: the model specifically requires a steadily increasing axial stress to drive the transformation of a randomly-oriented polycrystal to completion. We show that when the stress is held constant during uniaxial compression experiments, the transformation stops, supporting our hypothesis. We close with a discussion of implications of our model, and ways to test it using poled ceramic.

A computer code has been developed to solve the linear Boltzmann transport equation on an unstructured mesh of triangles, from a Pro/E model. An arbitriwy arrangement of distinct material regions is allowed. Energy dependence is handled by solving over an arbitrary number of discrete energy groups. Angular de- pendence is treated by Legendre-polynomial expansion of the particle cross sections and a discrete ordinates treatment of the particle fluence. The resulting linear system is solved in parallel with a preconditioned conjugate-gradients method. The solution method is unique, in that the space-angle dependence is solved si- multaneously, eliminating the need for the usual inner iterations. Electron cross sections are obtained from a Goudsrnit-Saunderson modifed version of the CEPXS code. A one-dimensional version of the code has also been develop@ for testing and development purposes.

Small, reliable chemical sensors are needed for a wide range of applications, such as weapon state-of-health monitoring, nonproliferation activities, and manufacturing emission monitoring. Significant improvements in present surface acoustic wave sensors could be achieved by developing a flexural plate-wave (FPW) architecture, in which acoustic waves are excited in a thin sensor membrane. Further enhancement of device performance could be realized by integrating a piezoelectric thin film on top of the membrane. These new FPW-piezoelectric thin film devices would improve sensitivity, reduce size, enhance ruggedness and reduce the operating frequency so that the FPW devices would be compatible with standard digital microelectronics. Development of these piezoelectric thin film // FPW devices requires integration of (1) acoustic sensor technology, (2) silicon rnicromachining techniques to fabricate thin membranes, and (3) piezoelectric thin films. Two piezoelectric thin film technologies were emphasized in this study: Pb(Zr,Ti)O{sub 3} (PZT) and AlN. PZT thin films were of sufficient quality such that the first high frequency SAW measurements on PZT thin films were measured during the course of this study. Further, reasonable ferroelectric properties were obtained from PZT films deposited on Si surface micromachined FPW device membranes. Fundamental understanding of the effect of nanodimension interfacial layers on AlN thin film domain configurations and piezoelectric response was developed. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the US Department of Energy under contract DE-AC04-94AL85000.

As part of the Laboratory-Directed Research and Development (LDRD) Program at Sandia National Laboratories, an investigation into the existence of enhanced vapor-phase diffusion (EVD) in porous media has been conducted. A thorough literature review was initially performed across multiple disciplines (soil science and engineering), and based on this review, the existence of EVD was found to be questionable. As a result, modeling and experiments were initiated to investigate the existence of EVD. In this LDRD, the first mechanistic model of EVD was developed which demonstrated the mechanisms responsible for EVD. The first direct measurements of EVD have also been conducted at multiple scales. Measurements have been made at the pore scale, in a two- dimensional network as represented by a fracture aperture, and in a porous medium. Significant enhancement of vapor-phase transport relative to Fickian diffusion was measured in all cases. The modeling and experimental results provide additional mechanisms for EVD beyond those presented by the generally accepted model of Philip and deVries (1957), which required a thermal gradient for EVD to exist. Modeling and experimental results show significant enhancement under isothermal conditions. Application of EVD to vapor transport in the near-surface vadose zone show a significant variation between no enhancement, the model of Philip and deVries, and the present results. Based on this information, the model of Philip and deVries may need to be modified, and additional studies are recommended.

This report documents a collection of papers on a family of uniform strain tetrahedral finite elements and their connection to different element types. Also included in the report are two papers which address the general problem of connecting dissimilar meshes in two and three dimensions. Much of the work presented here was motivated by the development of the tetrahedral element described in the report "A Suitable Low-Order, Eight-Node Tetrahedral Finite Element For Solids," by S. W. Key {ital et al.}, SAND98-0756, March 1998. Two basic issues addressed by the papers are: (1) the performance of alternative tetrahedral elements with uniform strain and enhanced uniform strain formulations, and (2) the proper connection of tetrahedral and other element types when two meshes are "tied" together to represent a single continuous domain.

Optical channeling or refractive guiding processes involving the nonlinear interaction of intense femtosecond optical pulses with matter in the self-focussing regime has created exciting opportunities for next-generation laser plasma-based x-ray sources and directed energy applications. This fundamentally new form of extended paraxial electromagnetic propagation in nonlinear dispersive media such as underdense plasma is attributed to the interplay between normal optical diffraction and intensity-dependent nonlinear focussing and refraction contributions in the dielectric response. Superposition of these mechanisms on the intrinsic index profile acts to confine the propagating energy in a dynamic self-guiding longitudinal waveguide structure which is stable for power transmission and robust compression. The laser-driven channels are hypothesized to support a degree of solitonic transport behavior, simultaneously stable in the space and time domains (group velocity dispersion balances self-phase modulation), and are believed to be self-compensating for diffraction and dispersion over many Rayleigh lengths in contrast with the defining characteristics of conventional diffractive imaging and beamforming. By combining concentrated power deposition with well-ordered spatial localization, this phenomena will also create new possibilities for production and regulation of physical interactions, including electron beams, enhanced material coupling, and self-modulated plasma wakefields, over extended gain distances with unprecedented energy densities. Harmonious combination of short-pulse x-ray production with plasma channeling resulting from a relativistic charge displacement nonlinearity mechanism in the terawatt regime (10{sup 18} W/cm{sup 2}) has been shown to generate high-field conditions conducive to efficient multi-kilovolt x-ray amplification and peak spectral brightness. Channeled optical propagation with intense short-pulse lasers is expected to impact several critical mission areas at Sandia including x-ray backlighting of pinch implosions, nondestructive radiographic imaging of aging weapons components, high-power electromagnetic pulse generation, particle acceleration, and remote sensing.

This effort studied the integration of innovative methods of key management crypto synchronization, and key agility while scaling encryption speed. Viability of these methods for encryption of ATM cell payloads at the SONET OC- 192 data rate (10 Gb/s), and for operation at OC-48 rates (2.5 Gb/s) was shown. An SNL-Developed pipelined DES design was adapted for the encryption of ATM cells. A proof-of-principle prototype circuit board containing 11 Electronically Programmable Logic Devices (each holding the equivalent of 100,000 gates) was designed, built, and used to prototype a high speed encryptor.

This study evaluated multiple, long-term environmental oil-contamination risk scenarios that could result from the potential leakage of UP to 1.5 million barrels of crude oil entombed in the Weeks Island SPR mine following site decommissioning and abandonment, and up to 100 years thereafter. This risk assessment also provides continuity with similar risk evaluations performed earlier and documented in the 1995 DOE Environmental Assessment for Decommissioning the Strategic Petroleum Reserve Weeks Island Facility (EA). This current study was requested by the DOE to help them determine if their previous Finding of No Significant Impact (FONSI), in the EA, is still valid or needs to be rescinded. Based on the calculated environmental risk results (in terms of clean-up and remediation expenses) presented in this risk assessment, including the calculated average likelihoods of oil release and potential oil-leakage volumes, none of the evaluated risk events would appear to satisfy the definition of significant environmental impact in National Environmental Policy Act (NEPA) terminology. The DOE may combine these current results with their earlier evaluations and interpretations in the 1995 EA in order to assess whether the existing FONSI is still accurate, acceptable, and valid. However, from a risk evaluation standpoint, the assessment of impacts appears to be the same whether only 10,000 to 30,000 barrels of crude oil (as considered in the 1995 EA), or up to 1.5 million barrels of oil (as considered herein) are abandoned in the Weeks Island SPR facility.

The theoretical background for the finite element computer program, MPSalsa Version 1.5, is presented in detail. MPSalsa is designed to solve laminar or turbulent low Mach number, two- or three-dimensional incompressible and variable density reacting fluid flows on massively parallel computers, using a Petrov-Galerkin finite element formulation. The code has the capability to solve coupled fluid flow (with auxiliary turbulence equations), heat transport, multicomponent species transport, and finite-rate chemical reactions, and to solve coupled multiple Poisson or advection-diffusion-reaction equations. The program employs the CHEMKIN library to provide a rigorous treatment of multicomponent ideal gas kinetics and transport. Chemical reactions occurring in the gas phase and on surfaces are treated by calls to CHEMKIN and SURFACE CHEMK3N, respectively. The code employs unstructured meshes, using the EXODUS II finite element database suite of programs for its input and output files. MPSalsa solves both transient and steady flows by using fully implicit time integration, an inexact Newton method and iterative solvers based on preconditioned Krylov methods as implemented in the Aztec. solver library.

The U.S. Department of Energy (DOE) has been developing a nuclear waste disposal facility, the Waste Isolation Pilot Plant (WIPP), located approximately 42 km east of Carlsbad, New Mexico. The WIPP is designed to demonstrate the safe disposal of transuranic wastes produced by the defense nuclear-weapons program. Performance assessment analyses (U.S. DOE, 1996) indicate that human intrusion by inadvertent and intermittent drilling for resources provide the only credible mechanisms for significant releases of radionuclides horn the disposal system. These releases may occur by five mechanisms: (1) cuttings, (2) cavings, (3) spallings, (4) direct brine releases, and (5) long-term brine releases. The first four mechanisms could result in immediate release of contaminant to the accessible environment. For the last mechanism, migration pathways through the permeable layers of rock above the Salado are important, and major emphasis is placed on the Culebra Member of the Rustler Formation because this is the most transmissive geologic layer in the disposal system. For reasons of initial quantity, half-life, and specific radioactivity, certain isotopes of Th, U, Am, and Pu would dominate calculated releases from the WIPP. In order to help quanti~ parameters for the calculated releases, radionuclide transport experiments have been carried out using five intact-core columns obtained from the Culebra dolomite member of the Rustler Formation within the Waste Isolation Pilot Plant (WIPP) site in southeastern New Mexico. This report deals primarily with results of mathematical analyses related to the retardation of %J%, 24%, and 24'Am in two of these cores (B-Core - VPX26-11A and C-Core - VPX28-6C). All B-Core transport experiments were done using Culebra-simukmt brine relevant to the core recovery location (the WIPP air-intake shaft - AIS). Most experiments with C-Core were done with AIS brine with some admixture of a brine composition (ERDA-6) that simulated deeper formation brines. No significant changes in transport behavior were observed for changes in brine. Hydraulic characteristics (i.e., apparent porosity and apparent dispersion coefficient) for the cores were obtained via experiments using conservative tracer `Na. Elution experiments carried out over periods of a few days with tracers `*U and %Np indicated that these tracers were weakly retarded as indicated by delayed elution of these species. Elution experiments with tracers `%, 24'Pu, and 24'Ani were performed, but no elution of any of these species was observed in any flow experiment to date, including experiments of up to two years duration. However, B-Core was subjected to tomographic analysis from which a retardation factor can be inferred for%. Moreover, the fact of non- elution for 24*Pu and 24'Am after more than two years brine flow through C-Core can be coupled with the minimum detectable activity for each of these species to compute minimum retardation factors in C-Core. The retardation factors for all three species can then be coupled with the apparent hydraulic characteristics to estimate an apparent minimum solutionhock distribution coefficient, &, for each actinide. The specific radionuclide isotopes used in these experiments were chosen to facilitate analysis. Even though these isotopes are not necessarily the same as those that are most important to WIPP performance, they are isotopes of the same elements, and . their chemical and transport properties are therefore identical to those of isotopes in the WIPP inventory. The retardation factors and & values deduced from experimental results strongly support the contention that sorption in the Culebra provides an effective barrier to release of Th, Pu, and Am during the regulatory period.

This paper presents the Local Area Network Distributed Supervisory Control and Programming Environment (LandScape) commands set that provides a Generic Device Subsystem Application Programmers Interface (API). These commands are implemented using the Common Object Request Broker Architecture (CORBA) specification with Orbix from Iona Technologies.

The purpose of this project was to create a reliable, 3D sensing and visualization system for unattended monitoring. The system provides benefits for several of Sandia's initiatives including nonproliferation, treaty verification, national security and critical infrastructure surety. The robust qualities of the system make it suitable for both interior and exterior monitoring applications. The 3D sensing system combines two existing sensor technologies in a new way to continuously maintain accurate 3D models of both static and dynamic components of monitored areas (e.g., portions of buildings, roads, and secured perimeters in addition to real-time estimates of the shape, location, and motion of humans and moving objects). A key strength of this system is the ability to monitor simultaneous activities on a continuous basis, such as several humans working independently within a controlled workspace, while also detecting unauthorized entry into the workspace. Data from the sensing system is used to identi~ activities or conditions that can signi~ potential surety (safety, security, and reliability) threats. The system could alert a security operator of potential threats or could be used to cue other detection, inspection or warning systems. An interactive, Web-based, 3D visualization capability was also developed using the Virtual Reality Modeling Language (VRML). The intex%ace allows remote, interactive inspection of a monitored area (via the Internet or Satellite Links) using a 3D computer model of the area that is rendered from actual sensor data.

This report provides an overview of the results of the Vital the Nicaraguan Water Resources Management Initiative, Issues process as implemented for a collaborative effort between the Nicaraguan Ministry of Environment and Natural Resources and Sandia National Laboratories. This initiative is being developed to assist in the development of an efficient and sustainable water resources management system for Nicamgua. The Vital Issues process was used to provide information for developing a project that will develop and implement an advanced information system for managing Nicaragua's water resources. Three Vital Issues panel meetings were convened to 1) develop a mission statement and evaluation criteria for identifying and ranking the issues vital to water resources management in Nicaragua 2) define and rank the vital issues; and 3) identify a preliminary list of information needed to address the vital issues. The selection of panelists from the four basic institutional perspectives- government, industiy, academe, and citizens' groups (through nongovernmental organizations (NGOs))-ensured a high level of stakeholder representation on the panels. The already existing need for a water resource management information system has been magnified in the aftemnath of Hurricane Mitch. This information system would be beneficial for an early warning system in emergencies, and the modeling and simulation capabilities of the system would allow for advanced planning. Additionally, the outreach program will provide education to help Nicaraguan improve their water hygiene practices.

Materials compatibility studies of aged, engineered materials and hardware are critical to understanding and predicting component reliability, particularly for systems with extended stockpile life requirements. Nondestructive testing capabilities for component reliability would significantly enhance lifetime predictions. For example, if the detection of crack propagation through a solder joint can be demonstrated, this technique could be used to develop baseline information to statistically determine solder joint lifelengths. This report will investigate high frequency signal response techniques for nondestructively evaluating the electrical behavior of thick film hybrid transmission lines.

Parameters have been identified that can be modeled stochastically using PORFLOW and Latin Hypercube Sampling (LHS). These parameters include hydrologic and transport properties in the vadose and saturated zones, as well as source-term parameters and infiltration rates. A number of resources were used to define the parameter distributions, primarily those provided in the Retrieval Performance Evaluation Report (Jacobs, 1998). A linear rank regression was performed on the vadose-zone hydrologic parameters given in Khaleel and Freeman (1995) to determine if correlations existed between pairs of parameters. No strong correlations were found among the vadose-zone hydrologic parameters, and it was recommended that these parameters be sampled independently until future data or analyses reveal a strong correlation or functional relationship between parameters. Other distributions for source-term parameters, infiltration rates, and saturated-zone parameters that are required to stochastically analyze the performance of the AX Tank Farm using LHS/PORFLOW were adapted from distributions and values reported in Jacobs (1998) and other literature sources. Discussions pertaining to the geologic conceptualization, vadose-zone modeling, and saturated-zone modeling of the AX Tank Farm are also presented.