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Quartz Channel Fabrication for Electrokinetically Driven Separations

Matzke, Carolyn M.

For well resolved electrokinetic separation, we L tilize crystalline quartz to micromachine a uniformly packe Q&iKLmnel. Packing features are posts 5 Vm on a side with:} pm spacing and etched 42 Vm deep. In addition to anisotropic wet etch characteristics for micromachining, quartz propmties are compatible with chemical soiutioits, ekctrokinetic high voltage operation, and stationary phase film depositions. To seal these channels, we employ a room temperature silicon-oxynhride deposition to forma membrane, that is subsequently coated for mechanical stability. Using this technique, particulate issues and global warp, that make large area wafer bon ding methods difficult, are avoided, and a room temperature process, in contrast to high temperature bonding techniques, accommodate preprocessing of metal films for electrical interconnect. After sealing channels, a number of macro-assembly steps are required to attach a micro-optical detection system and fluid interconnects. Keywords: microcharmel, integrated channel, micromachined channel, packed channel, electrokinetic channel, eleetrophoretic channel

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Electrical and Electrochemical Performance Characteristics of Large Capacity Li-Ion Cells

Nagasubramanian, Ganesan

We are currently evaluating large capacity (20 - 40 Ah) Bluestar (cylindrical) and Yardney (prismatic) Li-ion cells for their electrical and electrochemical performance characteristics at different temperatures. The cell resistance was nearly constant from room temperature to -20{degrees}C but increased by over 10 times at -40{degrees}C. The specific energy and power as well as the energy density and power density are high and didn't reach a plateau even at the highest discharge rates tested. For example, the prismatic Li-ion cells gave close to 280 Wh l{sup -1} at 4-amp discharge and 249 Wh l{sup -1} at 20-amp discharge at room temperature. For the same current range the specific power values are 102 Wh kg{sup -1} and 91 Wh kg{sup -1}. Cycle life and other electrical and electrochemical properties of the cells will be presented.

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Molecular-Scale Lubricants for Micromachine Applications: Final Report

Burns, Alan R.

The nature of this work was to develop the physics and chemistry base for understanding molecular-scale lubricants used to reduce of friction- and adhesion-induced failure in silicon micromachines (MEMS). We acquired this new knowledge by tailoring the molecular properties of the lubricants, applying local probes that can directly monitor the response of lubricants in contact conditions, and evaluating the performance of model lubricants MEMS devices. Model lubricants under investigation were the silane coupling agents that form monolayer films on native oxide silicon surfaces, which is the substrate in MEMS. These molecules bind via strong surface bonds and produce a layer of hydro- or fluoro-carbon chains normal to the substrate. "Tailoring" the lubricants entails modifying the chain length, the chain chemical reactivity (H or F), and the density of chain structures. Thus much effort went into understanding the surface chemistry of silane-silicon oxide coupling. With proximal probes such as atomic force microscopy (AFM), interracial force microscopy (FM), and shear force microscopy in combination with IFM, we examined the frictional and adhesive properties of the silane films with very high spatial resolution (< 100 nm) and sensitivity. MEMS structures are treated with silanes under identical conditions, and examined for friction and adhesion under operating conditions. Proper assessment of the lubricants required quantitative analysis of MEMS performance at high speeds and long operating times. Our proximal probe measurements and WS performance analyses form a very important link for future molecular dynamics simulations, that, in turn, should be able to predict MEMS performance under all conditions.

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Development and Characterization of a New Epoxy Foam Encapsulant as an Ablefoam Replacement

Russick, Edward M.

A new epoxy foam encapsulant, EF-ARIO/20, has been developed at Sandia National Laboratories (SNL) as a replacement for Ablefoam", an epoxy foam encapsulant used in the W76 Arming, Fusing, and Firing (Al%@) system. Since it contained toxic ingredients including a known carcinogen, Ablefoarn" is no longer commercially available. It has been demonstrated by scanning electron microscopy (SEM) that the microstructure of the new epoxy foam is similar to that of Ablefoam@. Mechanical properties of tensile and compressive strength, and tensile and compressive modulus, and thermal properties of glass transition temperature (.TJ, and coefficient of thermal expansion (CTE) have been measured for the new foam. Electrical properties of dielectric constant, dissipation factors, volume resistivity, and dielectric strength were also measured. These property measurements are comparable to those of Ablefoam@. Development and characterization of the new foam will be discusse~ and a comparison of mechanical, thermal, and electrical properties for the new epoxy foam and Ablefoam@ will be reported.

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Effective Protocols for Mobile Communications and Networking

Van Leeuwen, Brian P.

This report examines methods of mobile communications with an emphasis on mobile computing and wireless communications. Many of the advances in communications involve the use of Internet Protocol (IP), Asynchronous Transfer Mode (ATM), and ad hoc network protocols. However, many of the advances in these protocols have been focused on wired communications. Recently much focus has been directed at advancing communication technology in the area of mobile wireless networks. This report discusses various protocols used in mobile communications and proposes a number of extensions to existing protocols. A detailed discussion is also included on desirable protocol characteristics and evaluation criteria. In addition, the report includes a discussion on several network simulation tools that maybe used to evaluate network protocols.

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Catalytic Membrane Sensors

Boyle, Timothy J.

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

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A synchronous paradigm for modeling stable reactive systems

Winter, V.L.

This paper describes a modeling technique for single-agent reactive systems, that is influenced by the modeling paradigm of Parnas as well as by the synchronous paradigms of LUSTRE and ESTEREL. In this paradigm, single-agent reactive systems are modeled in a universe having a discrete clock. This discretization of time greatly reduces the temporal complexity of the model. He believes that the advantage of this reduction in temporal complexity is that the resulting model is in many ways better suited to automated software construction and analysis techniques (e.g., deductive synthesis, transformation, and verification) than models that are based on continuous representations of time.

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Influence of rheology on deposition behavior of ceramic pastes in direct fabrication systems

King, B.H.; Morissette, S.L.; Denham, H.; Cesarano III, J.; Dimos, D.

Rheology and deposition behavior of four commercially available thick-film inks and an aqueous alumina slurry were investigated using two different slurry-based deposition systems. The first of these deposition systems, a Micropen, is a commercially available system designed for the deposition of electronic thick film circuits. The second system, referred to as a Robocaster, is a developmental system designed to build thick or structural parts. Slurry rheology was seen to have a minor effect on deposition behavior and the bead shape when deposited using the Micropen. The deposition behavior was instead dominated by drying rate; too rapid of a drying rate led to excessive clogging of the tip. Slurry rheology had a greater impact on the shape of beads deposited using the Robocaster. Highly viscous slurries yielded initially well-defined beads, whereas beads deposited using fluid slurries spread quickly. In both cases, significant spreading occurred with time. These observations only held for slurries with slow drying rates. It was observed that very fluid slurries produced well-defined beads when the drying rate was suitably high.

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A nuclear source term analysis for spacecraft power systems

Mcculloch, W.H.

All US space missions involving on board nuclear material must be approved by the Office of the President. To be approved the mission and the hardware systems must undergo evaluations of the associated nuclear health and safety risk. One part of these evaluations is the characterization of the source terms, i.e., the estimate of the amount, physical form, and location of nuclear material, which might be released into the environment in the event of credible accidents. This paper presents a brief overview of the source term analysis by the Interagency Nuclear Safety Review Panel for the NASA Cassini Space Mission launched in October 1997. Included is a description of the Energy Interaction Model, an innovative approach to the analysis of potential releases from high velocity impacts resulting from launch aborts and reentries.

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Radiation damage measurements in room temperature semiconductor radiation detectors

Walsh, David S.

The literature of radiation damage measurements on cadmium zinc telluride (CZT), cadmium telluride (CT), and mercuric iodide (HgI{sub 2}) is reviewed and in the case of CZT supplemented by new alpha particle data. CZT strip detectors exposed to intermediate energy (1.3 MeV) proton fluences exhibit increased interstrip leakage after 10{sup 10} p/cm{sup 2} and significant bulk leakage after 10{sup 12} p/cm{sup 2}. CZT exposed to 200 MeV protons shows a two-fold loss in energy resolution after a fluence of 5 {times} 10{sup 9} p/cm{sup 2} in thick (3 mm) planar devices but little effect in 2 mm devices. No energy resolution effects were noted from moderated fission spectrum of neutrons after fluences up to 10{sup 10} n/cm{sup 2}, although activation was evident. Exposures of CZT to 5 MeV alpha particle at fluences up to 1.5 {times} 10{sup 10} {alpha}/cm{sup 2} produced a near linear decrease in peak position with fluence and increases in FWHM beginning at about 7.5 {times} 10{sup 9} {alpha}/cm{sup 2}. CT detectors show resolution losses after fluences of 3 {times} 10{sup 9} p/cm{sup 2} at 33 MeV for chlorine-doped detectors. Indium doped material may be more resistant. Neutron exposures (8 MeV) caused resolution losses after fluences of 2 {times} 10{sup 10} n/cm{sup 2}. Mercuric iodide has been studied with intermediate energy protons (10 to 33 MeV) at fluences up to 10{sup 12} p/cm{sup 2} and with 1.5 GeV protons at fluences up to 1.2 {times} 10{sup 8} p/cm{sup 2}. Neutron exposures at 8 MeV have been reported at fluences up to 10{sup 15} n/cm{sup 2}. No radiation damage was reported under these irradiation conditions.

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Characterization of nonlinear dynamic systems using artificial neural networks

Urbina, Angel U.

The efficient characterization of nonlinear systems is an important goal of vibration and model testing. The authors build a nonlinear system model based on the acceleration time series response of a single input, multiple output system. A series of local linear models are used as a template to train artificial neutral networks (ANNs). The trained ANNs map measured time series responses into states of a nonlinear system. Another NN propagates response states in time, and a third ANN inverts the original map, transforming states into acceleration predictions in the measurement domain. The technique is illustrated using a nonlinear oscillator, in which quadratic and cubic stiffness terms play a major part in the system`s response. Reasonable maps are obtained for the states, and accurate, long-term response predictions are made for data outside the training data set.

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Objectives and Outcomes

Journal for Engineering Education

Segalman, Daniel J.

I have recently become involved in the ABET certification process under the new system - ABET 2000. This system relies heavily on concepts of Total Quality Management (TQM). It encourages each institution to define its objectives in terms of its own mission and then create a coherent program based on it. The prescribed steps in setting up the new system at an engineering institution are: o identification of constituencies G definition of mission. It is expected that the department's mission will be consistent with that of the overall institution, but containing some higher resolution language appropriate to that particular discipline of the engineering profession. o statement of objectives consistent with the mission 3G~~\vED " enumeration of desired, and preferably measurable, outcomes of the process that would ~ `=. verify satisfaction of the objectives. ~~~ 07 !398 o establish performance standards for each outcome. o creation of appropriate feedback loops to assure that the objectives are still consistent with Q$YT1 the mission, that the outcomes remain consistent with the objectives, and that the curriculum and the teaching result in those outcomes. It is my assertion that once the institution verbalizes a mission, enumerated objectives naturally flow from that mission. (We shall try to demonstrate by example.) Further, if the mission uses the word "engineer", one would expect that word also to appear in at least one of the objectives. The objective of producing engineers of any sort must -by decree - involve the presence of the ABET criteria in the outcomes list. In other words, successful satisfaction of the ABET items a-k are a necessary subset of the measure of success in producing engineers. o We shall produce bachelor level engineers whose training in the core topics of chemical (or electrical, or mechanical) engineering is recognized to be among the best in the nation. o We shall provide an opportunity for our students to gain a significant exposure to biomedical topics and the integration of those topics with chemical (electrical or mechanical) engineering. o We shall provide unique opportunities for our students to work with clinicians and researchers in hospitals and other medical institutions. combined criteria a-k of ABET and 1-6 of AICHE (or IEEE or ASME) in some sensible manner. Here I have just estimated the number of distinct criteria that would be extracted from the AICHE paragraphs. These criteria are necessarily included because of the objective to producing chemical (electrical or mechanical) engineers. every student who desires an internship or independent study at a medical institution will be placed. a majority of our students will take either the FE exam or the M-CAT exam. demonstrating a commitment to professionalism and to life-long learning. a majority of our students will go on to graduate school or other post-graduate school. (I do not assert that this sort of outcome is appropriate to all excellent schools. In the case of this hypothetical school though, this outcome might be a reasonable expectation.) medical schools will rank our school as among the best from which to admit

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Reliability of Rechargeable Batteries in a Photovoltaic Power Supply System

Paez, Thomas L.

We investigate the reliability If a rechargeable battery acting as the energy storage component in a photovoltaic power supply system. A model system was constructed for this that includes the solar resource, the photovoltaic power supp Iy system, the rechargeable battery and a load. The solar resource and the system load are modeled as SI ochastic processes. The photovoltaic system and the rechargeable battery are modeled deterministically, imd an artificial neural network is incorporated into the model of the rechargeable battery to simulate dartage that occurs during deep discharge cycles. The equations governing system behavior are solved simultaneously in the Monte Carlo framework and a fwst passage problem is solved to assess system reliability.

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Adaptive Remote-Sensing Techniques Implementing Swarms of Mobile Agents

Stantz, K.M.

In many situations, stand-off remote-sensing and hazard-interdiction techniques over realistic operational areas are often impractical "and difficult to characterize. An alternative approach is to implement an adap- tively deployable array of sensitive agent-specific devices. Our group has been studying the collective be- havior of an autonomous, multi-agent system applied to chedbio detection and related emerging threat applications, The current physics-based models we are using coordinate a sensor array for mukivanate sig- nal optimization and coverage as re,alized by a swarm of robots or mobile vehicles. These intelligent control systems integrate'glob"ally operating decision-making systems and locally cooperative learning neural net- works to enhance re+-timp operational responses to dynarnical environments examples of which include obstacle avoidance, res~onding to prevailing wind patterns, and overcoming other natural obscurants or in- terferences. Collectively',tkensor nefirons with simple properties, interacting according to basic community rules, can accomplish complex interconnecting functions such as generalization, error correction, pattern recognition, sensor fusion, and localization. Neural nets provide a greater degree of robusmess and fault tolerance than conventional systems in that minor variations or imperfections do not impair performance. The robotic platforms would be equipped with sensor devices that perform opticaI detection of biologicais in combination with multivariate chemical analysis tools based on genetic and neural network algorithms, laser-diode LIDAR analysis, ultra-wideband short-pulsed transmitting and receiving antennas, thermal im- a:ing sensors, and optical Communication technology providing robust data throughput pathways. Mission scenarios under consideration include ground penetrating radar (GPR) for detection of underground struc- tures, airborne systems, and plume migration and mitigation. We will describe our research in these areas anti give a status report on our progress.

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InGaAsN Solar Cells with 1.0eV Bandgap, Lattice Matched to GaAs

Applied Physics Letters

Kurtz, S.R.

The design, growth by metal-organic chemical vapor deposition, and processing of an In{sub 0.07}Ga{sub 0.93}As{sub 0.98}N{sub 0.02} solar Al, with 1.0 ev bandgap, lattice matched to GaAs is described. The hole diffusion length in annealed, n-type InGaAsN is 0.6-0.8 pm, and solar cell internal quantum efficiencies > 70% arc obwined. Optical studies indicate that defects or impurities, from InGAsN doping and nitrogen incorporation, limit solar cell performance.

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Initial Stages of Yield in Nanoindentation

Journal of Materials Research

Kiely, J.D.

We have used the Interracial Force Microscope" to perform nanoindentations on Au single- crystal surfaces. We have observed two distinct regimes of plastic deformation which are distinguished by the magnitude of discontinuities in load relaxation. At lower stresses, relaxation occurs in small deviations from elastic behavior, while at the higher stresses they take the form of large load drops often resulting in complete relaxation of the applied load. These major events create a relatively wide plastic zone that subsequently deepens more rapidly than it widens. We discuss these findings in terms of contrasting models of dislocation processes in the two regimes.

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Laser Surface Profiler

Optics Letters

Chu, A.

By accurately measuring the angle of reflection of a laser beam incident on a reflective surface with a position sensitive detector, changes in the surface normal direction (slope of the surface) can be determined directly. An instrument has been built that makes repeated measurements over the surface, and uses this data to produce a grayscale image of the slope. The resolution of this system to changes in the surface normal direction is found to be better than 0.01 degrees. By focusing the Iaser beam to achieve a lateral resolution of 5 pm, the resolvable surface height change due to a variation in slope is estimated to be <1 nm.

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Variations in the Nature of Metal Adsorption on Ultrathin Al(2)O(3) Films

Physical Review Letters

Bogicevic, Alexander

First-principles density-functional calculations are used to study metal adsorption (Li, K, Y, Nb, Ru, Pd, Pt, Cu, Ag, Au, and Al at 1/3-4 monolayer coverages) atop 5 ~ A1203 films on Al(Ill). The oxide-metal bond is ionic at Iow coverages but, with interesting exceptions, caused by polari@i ,~-cE!vED at high coverages where the overlayer is metallic. Binding trends are explained in terms of s'imp e concepts. Increasing overlayer thickness can cause the adsorbate-oxide interface structure to than . %lEc o ~ 1998 and while some metals wet, most do not.

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Probabilistic Analysis of Rechargeable Batteries in a Photovoltaic Power Supply System

Paez, Thomas L.

We developed a model for the probabilistic behavior of a rechargeable battery acting as the energy storage component in a photovoltaic power supply system. Stochastic and deterministic models are created to simulate the behavior of the system component;. The components are the solar resource, the photovoltaic power supply system, the rechargeable battery, and a load. Artificial neural networks are incorporated into the model of the rechargeable battery to simulate damage that occurs during deep discharge cycles. The equations governing system behavior are combined into one set and solved simultaneously in the Monte Carlo framework to evaluate the probabilistic character of measures of battery behavior.

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Mathematical Model of a Lithium/Thionyl Chloride Battery

Nagasubramanian, Ganesan

A mathematical model of a spirally wound lithium/thionyl chloride primary battery has been developed ~d used for parameter estimation and design studies. The model formulation is based on the fimdarnental Consemation laws using porous electrode theory and concentrated solution theory. The model is used to estimate the difision coefficient and the kinetic parameters for the reactions at the anode and the cathode as a function of temperature. These parameters are obtained by fitting the simulated capacity and average cell voltage to experimental data over a wide range of temperatures (-55 to 49"C) and discharge loads (10 to 250 ohms). The experiments were performed on D-sized, cathode-limited, spirally wound lithium/thionyl chloride cells. The model is also used to study the effkct of cathode thickness on the cell capacity as a finction of temperature, and it was found that the optimum thickness for the cathode- limited design is temperature and load dependent.

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Modeling Coal Seam Damage in Cast Blasting

Preece, Dale S.

A discrete element computer program named DMC_BLAST (Distinct Motion Code) has been under development since 1987 for modeling rock blasting (Preece & Taylor, 1989). This program employs explicit time integration and uses spherical or cylindrical elements that are represented as circles in two dimensions. DMC_BLAST calculations compare favorably with data from actual bench blasts (Preece et al, 1993). Coal seam chilling refers to the shattering of a significant portion of the coal leaving unusable fines. It is also refereed to as coal damage. Chilling is caused during a blast by a combination of explosive shock energy and movement of the adjacent rock. Chilling can be minimized by leaving a buffer zone between the bottom of the blastholes and the coal seam or by changing the blast design to decrease the powder factor or by a combination of both. Blast design in coal mine cast blasting is usually a compromise between coal damage and rock fragmentation and movement (heave). In this paper the damage to coal seams from rock movement is examined using the discrete element computer code DMC_BLAST. A rock material strength option has been incorporated into DMC_BLAST by placing bonds/links between the spherical particles used to model the rock. These bonds tie the particles together but can be broken when the tensile, compressive or shear stress in the bond exceeds the defined strength. This capability has been applied to predict coal seam damage, particularly at the toe of a cast blast where drag forces exerted by movement of the overlying rock can adversely effect the top of the coal at the bench face. A simulation of coal mine cast blasting has been performed with special attention being paid to the strength of the coal and its behavior at t he bench face during movement of the overlying material.

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Synthesis of Sol-Gel Matrices for Encapsulation of Enzymes Using an Aqueous Route

Brinker, C.J.

Sol-gel matrices are promising host materials for potential chemical and biosensor applications. Previous studies have focused on modified sol-gel routes using alkoxides for encapsulation of enzymes. However the formation of alcohol as a byproduct during hydrolysis and condensation reactions poses limitations. We report the immobilization of glucose oxidase and peroxidase in silica prepared by an aqueous route which may provide a more favorable environment for the biomolecules. A two step aqueous sol-gel procedure using sodium silicate as the precursor was developed to encapsulate the enzymes and the dye precursor, o-dianisidine. Glucose oxidase catalyzes the oxidation of glucose to give gluconic acid and hydrogen peroxide. Peroxidase then catalyzes the reaction of the dye precursor with hydrogen peroxide to produce a colored product. The kinetics of the coupled enzymatic reactions were monitored by optical spectroscopy and compared to those occurring in tetramethyl orthosilicate (TMOS) derived silica matrices developed by Yamanaka. Enhanced kinetics in the aqueous silicate matrices were related to differences in the host microstructure as elucidated by microstructural comparisons of the corresponding aerogels.

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Managing Reliability in the 21st Century

Dellin, Theodore A.

The rapid pace of change at Ike end of the 20th Century should continue unabated well into the 21st Century. The driver will be the marketplace imperative of "faster, better, cheaper." This imperative has already stimulated a revolution-in-engineering in design and manufacturing. In contrast, to date, reliability engineering has not undergone a similar level of change. It is critical that we implement a corresponding revolution-in-reliability-engineering as we enter the new millennium. If we are still using 20th Century reliability approaches in the 21st Century, then reliability issues will be the limiting factor in faster, better, and cheaper. At the heart of this reliability revolution will be a science-based approach to reliability engineering. Science-based reliability will enable building-in reliability, application-specific products, virtual qualification, and predictive maintenance. The purpose of this paper is to stimulate a dialogue on the future of reliability engineering. We will try to gaze into the crystal ball and predict some key issues that will drive reliability programs in the new millennium. In the 21st Century, we will demand more of our reliability programs. We will need the ability to make accurate reliability predictions that will enable optimizing cost, performance and time-to-market to meet the needs of every market segment. We will require that all of these new capabilities be in place prior to the stint of a product development cycle. The management of reliability programs will be driven by quantifiable metrics of value added to the organization business objectives.

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Inductively Coupled Plasma Etching in ICl- and IBr-Based Chemistries: Part I. GaAs, GaSb and AlGaAs

Plasma Chemistries and Plasma Processes

Shul, Randy J.

High density plasma etching of GaAs, GaSb and AIGaAs was performed in IC1/Ar and lBr/Ar chemistries using an Inductively Coupled Plasma (ICP) source. GaSb and AlGaAs showed maxima in their etch rates for both plasma chemistries as a function of interhalogen percentage, while GaAs showed increased etch rates with plasma composition in both chemistries. Etch rates of all materials increased substantially with increasing rf chuck power, but rapidly decreased with chamber pressure. Selectivities > 10 for GaAs and GaSb over AlGaAs were obtained in both chemistries. The etched surfaces of GaAs showed smooth morphology, which were somewhat better with IC1/Ar than with IBr/& discharge. Auger Electron Spectroscopy analysis revealed equi-rate of removal of group III and V components or the corresponding etch products, maintaining the stoichiometry of the etched surface.

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Inductively Coupled Plasma Etching in ICl- and IBr-Based Chemistries: Part II. InP, InSb, InGaP and InGaAs

Plasma Chemistries and Plasma Processes

Shul, Randy J.

A parametric study of Inductively Coupled Plasma etching of InP, InSb, InGaP and InGaAs has been carried out in IC1/Ar and IBr/Ar chemistries. Etch rates in excess of 3.1 prrdmin for InP, 3.6 prnh-nin for InSb, 2.3 pm/min for InGaP and 2.2 ~rrdmin for InGaAs were obtained in IBr/Ar plasmas. The ICP etching of In-based materials showed a general tendency: the etch rates increased substantially with increasing the ICP source power and rf chuck power in both chemistries, while they decreased with increasing chamber pressure. The IBr/Ar chemistry typically showed higher etch rates than IC1/Ar, but the etched surface mophologies were fairly poor for both chemistries.

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Reactive Ion Beam Etching of GaAs and Related Compounds in an Inductively Coupled Plasma of Cl(2)-Ar Mixture

Journal of Vacuum Science and Technology B

Abernathy, C.R.; Hahn, Y.B.; Hays, D.; Lambers, E.S.; Lee, J.W.; Pearton, S.J.; Shul, R.J.; Vawter, G.A.

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Redistribution of Implanted Dopants in GaN

Journal of Electronic Materials

Rieger, Dennis J.

Donor (S, Se and Te) and acceptor (Mg, Be and C) dopants have been implanted into GaN at doses of 3-5x1014 cm-2 and annealed at temperatures up to 1450 *C. No redistribution of any of the elements is detectable by Secondary Ion Mass Spectrometry, except for Be, which displays an apparent damage-assisted diffusion at 900 "C. At higher temperatures there is no further movement of the Be, suggesting that the point defect flux that assists motion at lower temperatures has been annealed. Effective diffusivities are <2X 1013 cm2.sec-1 at 1450 `C for each of the dopants in GaN.

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Ultra High Temperature Rapid Thermal Annealing of GaN

Materials Issues in Semiconductor Process

Rieger, Dennis J.

All of the major acceptor (Mg, C, Be) and donor (Si, S, Se and Te) dopants have been implanted into GaN films grown on A1203 substrates. Annealing was performed at 1100- 1500 C, using AIN encapsulation. Activation percentages of >90Y0 were obtained for Si+ implantation annealed at 1400 C, while higher temperatures led to a decrease in both carrier concentration and electron mobility. No measurable redistribution of any of the implanted dopants was observed at 1450 C.

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Wetting of a Chemically Heterogeneous Surface

Journal of Chemical Physics

Frink, L.J.D.; Salinger, A.G.

Theories for inhomogeneous fluids have focused in recent years on wetting, capillary conden- sation, and solvation forces for model systems where the surface(s) is(are) smooth homogeneous parallel plates, cylinders, or spherical drops. Unfortunately natural systems are more likely to be hetaogeneous both in surt%ce shape and surface chemistry. In this paper we discuss the conse- quences of chemical heterogeneity on wetting. Specifically, a 2-dimensional implementation of a nonlocal density functional theory is solved for a striped surface model. Both the strength and range of the heterogeneity are varied. Contact angles are calculated, and phase transitions (both the wetting transition and a local layering transition) are located. The wetting properties of the surface ase shown to be strongly dependent on the nature of the surface heterogeneity. In addition highly ordered nanoscopic phases are found, and the operational limits for formation of ordered or crystalline phases of nanoscopic extent are discussed.

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Analyses of a Reinforced Concrete Containment with Liner Corrosion Damage

Smith, Jeffrey A.

Incidents of liner corrosion in nuclear power containment structures have been recorded. These incidents and concerns of other possible liner corrosion in containment have prompted an interest in determining g the capacity of a degraded containment. Finite element analyses of a typical pressurized water reactor (PWR) reinforced concrete containment with liner corrosion were conducted using the A13AQUS finite element code with the ANACAP-U nonlinear concrete constitutive model. The effect of liner corrosion on containment capacity was investigated. A loss of coolant accident was simulated by applying pressure and temperature changes to the structure without corrosion to determine baseline failure limits, followed by multiple analyses of the containment with corrosion at different locations and varying degrees of liner degradation. The corrosion locations were chosen at the base of the containment wall, near the equipment hatch, and at the midheight of the containment wall. Using a strain-based failure criterion the different scenarios were evaluated to prioritize their effect on containment capacity

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Ion Beam Induced Charge Collection (IBICC) from Integrated Circuit Test Structures Using a 10 MeV Carbon Microbeam

Renfrow, Steven N.

As future sizes of Integrated Circuits (ICs) continue to shrink the sensitivity of these devices, particularly SRAMs and DRAMs, to natural radiation is increasing. In this paper, the Ion Beam Induced Charge Collection (IBICC) technique is utilized to simulate neutron-induced Si recoil effects in ICS. The IBICC measurements, conducted at the Sandia National Laboratories employed a 10 MeV carbon microbeam with 1pm diameter spot to scan test structures on specifically designed ICS. With the aid of layout information, an analysis of the charge collection efficiency from different test areas is presented. In the present work a 10 MeV Carbon high-resolution microbeam was used to demonstrate the differential charge collection efficiency in ICS with the aid of the IC design Information. When ions strike outside the FET, the charge was only measured on the outer ring, and decreased with strike distance from this diode. When ions directly strike the inner and ring diodes, the collected charge was localized to these diodes. The charge for ions striking the gate region was shared between the inner and ring diodes. I The IBICC measurements directly confirmed the interpretations made in the earlier work.

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Multidimensional Analysis of Quenching: Comparison of Inverse Techniques

Dowding, Kevin J.

Understanding the surface heat transfer during quenching can be beneficial. Analysis to estimate the surface heat transfer from internal temperature measurements is referred to as the inverse heat conduction problem (IHCP). Function specification and gradient adjoint methods, which use a gradient search method coupled with an adjoint operator, are widely u led methods to solve the IHCP. In this paper the two methods are presented for the multidimensional case. The focus is not a rigorous comparison of numerical results. Instead after formulating the multidimensional solutions, issues associated with the numerical implementation and practical application of the methods are discussed. In addition, an experiment that measured the surface heat flux and temperatures for a transient experimental case is analyzed. Transient temperatures are used to estimate the surface heat flux, which is compared to the measured values. The estimated surface fluxes are comparable for the two methods.

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Data Collection and Analysis Techniques for Evaluating the Perceptual Qualities of Auditory Stimuli

Miner, Nadine E.

This paper describes a general methodological framework for evaluating the perceptual properties of auditory stimuli. The framework provides analysis techniques that can ensure the effective use of sound for a variety of applications including virtual reality and data sonification systems. Specifically, we discuss data collection techniques for the perceptual qualities of single auditory stimuli including identification tasks, context-based ratings, and attribute ratings. In addition, we present methods for comparing auditory stimuli, such as discrimination tasks, similarity ratings, and sorting tasks. Finally, we discuss statistical techniques that focus on the perceptual relations among stimuli, such as Multidimensional Scaling (MDS) and Pathfinder Analysis. These methods are presented as a starting point for an organized and systematic approach for non-experts in perceptual experimental methods, rather than as a complete manual for performing the statistical techniques and data collection methods. It is our hope that this paper will help foster further interdisciplinary collaboration among perceptual researchers, designers, engineers, and others in the development of effective auditory displays.

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Utilizing Gauss-Hermite Quadrature to Evaluate Uncertainty in Dynamic System Response

Field, R.V.; Paez, T.L.; Red-Horse, J.R.

Probabilistic uncertainty is a phenomenon that occurs to a certain degree in many engineering!~ applications. The effects that the uncertainty has upon a given system response is a matter of some concern. Techniques which provide insight to these effects will be required as modeling and prediction become a more vital tool in the engineering design process. As might be expected, this is a difficult proposition and the focus of many research efforts. The purpose of this paper is to outline a procedure to evaluate uncertainty in dynamic system response exploiting Gauss-Hermite numerical quadrature. Specifically numerical integration techniques are utilized in conjunction with the Advanced Mean Value method to efficiently and accurately estimate moments of the response process. A numerical example illustrating the use of this analytical tool in a practical framework is presented.

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Particle Velocity and Deposition Efficiency in the Cold Spray Process

Journal of Thermal Spray Technology

Gilmore, D.L.

Copper powder was sprayed by the cold-gas dynamic method. In-flight particle velocities were measured with a laser-two-focus system as a function of process parameters such as gas temperature, gas pressure, and powder feed rate. Particle velocities were uniform in a relatively large volume within the plume and agreed with theoretical predictions. The presence of the substrate was found to have no significant effect on particle velocities. Cold-spray deposition efficiencies were measured on aluminum substrates as a function of particle velocity and incident angle of the plume. Deposition efficiencies of up to 95% were achieved. The critical velocity for deposition was determined to be about 640 meters per second. This work investigates both the in-flight characteristics of copper particles in a supersonic cold-spray plume and the build-up of the subsequent coating on aluminum substrates. Velocities were found to be relatively constant within a large volume of the plume. Particle counts dropped off sharply away from the central axis. The presence of a substrate was found to have no effect on the velocity of the particles. A substantial mass-loading effect on the particle velocity was observed; particle velocities begin to drop as the mass ratio of powder to gas flow rates exceeds 3%. The measured variation of velocity with gas pressure and pre-heat temperature was in fairly good agreement with theoretical predictions. Helium may be used as the driving gas instead of air in order to achieve higher particle velocities for a given temperature and pressure. Coating deposition efficiencies were found to increase with particle velocity and decrease with gun- substrate angle. There did not appear to be any dependence of the deposition efficiency on coating thickness. A critical velocity for deposition of about 640 mk appears to fit the data well. The cold-spray technique shows promise as a method for the deposition of materials which are thermally sensitive or may experience rapid oxidation under typical thermal spray conditions. High deposition efficiencies are achievable for certain coating-substrate conditions. Work remains to determine the material and microstructural properties which govern the coating process.

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UV-Photoassisted Etching of GaN in KOH

Journal of Electronic Materials

Shul, Randy J.

The etch rate of GaN under W-assisted photoelectrochemical conditions in KOH solutions is found to be a strong function of illumination intensity, solution molarity, sample bias and material doping level. At low e-h pair generation rates, grain boundaries are selectively etched, while at higher illumination intensities etch rates for unintentionally doped (n - 3x 10^12Gcm-3) GaN are 2 1000 .min-l. The etching is diffusion limited under our conditions with an activation energy of - 0.8kCal.mol-1. The etched surfaces are rough, but retain their stoichiometry. PEC etching is found to selectively reveal grain boundaries in GaN under low light illumination conditions. At high lamp powers the rates increase with sample temperature and the application of bias to the PEC cell, while they go through a maximum with KOH solution molarity. The etching is diffusion-limited, producing rough surface morphologies that are suitable in a limited number of device fabrication steps. The surfaces however appear to remain relatively close to their stoichiometric composition.

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Electron-Anode Interactions in Particle-in-Cell Simulations of Applied-B Ion Diodes

Physics of Plasmas

Vesey, Roger A.

Particle-in-cell simulations of applied-B ion diodes using the QUICKSILVER code have been augmented with Monte Carlo calculations of electron-anode interactions (reflection and energy deposition). Extraction diode simulations demonstrate a link between the instability evolution and increased electron loss and anode heating. Simulations of radial and extraction ion diodes show spatial non-uniformity in the predicted electron loss profile leading to hot spots on the anode that rapidly exceed the 350-450 {degree}C range, known to be sufficient for plasma formation on electron-bombarded surfaces. Thermal resorption calculations indicate complete resorption of contaminants with 15-20 kcal/mole binding energies in high-dose regions of the anode during the power pulse. Comparisons of parasitic ion emission simulations and experiment show agreement in some aspects; but also highlight the need for better ion source, plasma, and neutral gas models.

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Composition and Bonding in Amorphous Carbon Films Grown by Ion Beam Assisted Deposition: Influence of the Assistance Voltage

Diamond and Related Materials

Banks, James C.

Amorphous carbon films have been grown by evaporation of graphite with concurrent Ar+ ions bombardment assistance. The ion energy has been varied between 0-800 V while keeping a constant ion to carbon atom arrival ratio. Film composition and density were determined by ion scattering techniques (RBS and ERDA), indicating a negligible hydrogen content and a density dependence with the assistance voltage. The bonding structure of the films has been studied by Raman and X-ray Absorption Near-Edge (XANES) spectroscopy. Different qualitative effects have been found depending on the ion energy range. For ion energies below 300 eV, there is a densification of the carbon layer due to the increase in the sp3 content. For ion energies above 300 eV sputtering phenomena dominate over densification, and thinner films are found with increasing assistance voltage until no film is grown over 600 V. The films with the highest SP3 content are grown with intermediate energies between 200-300 V.

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A Method for Connecting Dissimilar Finite Element Meshes in Three Dimensions

International Journal for Numerical Methods in Engineering

Dohrmann, Clark R.

A method is presented for connecting dissimilar finite element meshes in three dimensions. The method combines the concept of master and slave surfaces with the uniform strain approach for surface, corrections finite elements- By modifyhg the are made to element formulations boundaries of elements on the slave such that first-order patch tests are passed. The method can be used to connect meshes which use different element types. In addition, master and slave surfaces can be designated independently of relative mesh resolutions. Example problems in three-dimensional linear elasticity are presented.

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Lessons Learned from WIPP Site Characteriztion, Performance Assessment, and Regulatory Review Related to Radionuclide Migration through Water-Conducting Features

Beauheim, Richard L.

Many lessons have been learned over the past 24 years as the Waste Isolation Pilot Plant (WIPP) project has progressed from initial site characterization to final licensing that may be of relevance to other nuclear-waste-disposal projects. These lessons pertain to the manner in which field and laboratory investigations are planned, how experiments are interpreted, how conceptual and numerical models are developed and simplified~ and how defensibility and credibility are achieved and maintained. These lessons include 1) Site characterization and performance assessment (PA) should evolve together through an iterative process, with neither activity completely dominating the other. 2) Defensibility and credibility require a much greater depth of understanding than can be represented in PA models. 3) Experimentalists should be directly involved in model and parameter abstraction and simplification for PA. 4) External expert review should be incorporated at all stages of a project~ not just after an experiment or modeling activity is completed. 5) Key individuals should be retained for the life of a project or a process must be established to transfer their working knowledge to new individuals. 6) An effective QA program needs to be stable and consistent for the duration of a project and rests on best scientific practices. All of these lessons relate to the key point that consideration must be given from the earliest planning stages to maximizing the defensibility and credibility of all work.

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Flow-Dimension Analysis of Hydraulic Tests to Characterize Water-Conducting Features

Beauheim, Richard L.

Most analytical solutions and computer codes for well-test analysis assume a radial flow geometry around a well even though actual flow geometries can be quite different particularly in fractured media. Accurate estimation of hydraulic parameters requires knowledge of the flow geometry. Flow dimensions, representing the combined effects of flow geometry and variations in hydraulic properties, em be interpreted from the late-time slope of the pressure derivative on a log-log plot. However, the interpreted flow dimensions could be caused by an infinite number of flow geometry and hydraulic property combinations. Identifying the correct flow geometry so that appropriate hydraulic properties can be calculated is a difficult process, requiring additional information from a variety of sources. Defining a "conservative" model for a system with nonradial flow dimensions is problematic at best. Errors are compounded when hydraulic properties interpreted by force-fitting radial model to tests in nonradial systems are used in flow and transport models that also fail to take proper account of flow geometry. Whatever the flow dimension of a system might be, proper test interpretation and careful model construction, calibration, and testing are required to provide accurate modeling of flow and transport in that system.

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Use of Z-Pinch Techniques for Equation of State Applications

Asay, J.R.

A principal goal of the shock physics program at Sandia is to establish a capability to make accurate equation of state (EOS) measurements on the Z pulsed radiation source. The Z accelerator is a source of intense x-ray radiation, which can be used to drive ablative shocks for EOS studies. With this source, ablative multi shocks can be produced to study materials over the range of interest to both weapons and ICF physics programs. In developing the capability to diagnose these types of studies on Z, techniques commonly used in conventional impact generated experimental were implemented. The primary diagnostic presently being used for this work is velocity interferometry, VISAR, which not only provides Hugoniot particle velocity measurements, but also measurements of non-shock EOS measurements, such as isentropic compression. In addition to VISAR capability, methods for measuring shock velocity have also been developed for shock studies on Z. When used in conjunction with the Rankine- Hugoniot jump conditions, material response at high temperatures and pressures can be inferred. Radiation in the Z accelerator is produced when approximately 18 MA are passed through a cylindrical wire array typically 20 to 50 mm in diameter and 10 to 20 mm in height. 200-300 wires with initial diameters on the order of 8 to 20 micron form, upon application of the current, a plasma shell, which is magnetically imploded until it collapses and stagnates on axis, forming a dense plasma emitter in the shape of a column, referred to as a" z pinch". The initial wire array and subsequent plasma pinch are confined within a metallic can, referred to as a primary hohlraum, which serves as both a current return path and a reflective surface to contain the radiation. Attached to openings in the primary hohlraum wall are smaller tubes referred to as secondaries. Multiple secondaries can be fielded on most experiments, which are the typical location for mounting EOS samples. In this configuration, the secondary S1 contains two separate VISAR probes for making velocity measurements at different material thicknesses. By correlating the resulting velocity profiles in time, a measurement of shock velocity can be determined. In addition, the velocity profiles provide the Hugoniot particle velocity after the records were impedance-matched. Secondaries S2 and S3 provide measurements of shock velocity using laser light reflected from steps. As the shock arrives at each of these surfaces, the surface reflectivity significantly decreases, which causes a sharp drop in return light. The shock velocity can be inferred from shock arrival at different steps The z-pinch technique is particularly useful for producing high amplitude shock waves for EOS applications. An alternative approach for using Z is to produce shockless loading directly with the magnetic pressure in the accelerator.

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The Electrical Properties of Native and Deposited Thin Aluminum Oxide Layers on Aluminum: Hydration Effects

Sullivan, John P.

The electronic defect density of native, anodic, and synthetic Al oxide layers on Al were studied by solid state electrical measurement as a function of hydration OF the oxide. The non-hydrated synthetic Al oxide layers, which included electron cyclotron resonance (ECR) plasma deposited oxides as well as ECR plasma grown oxides, were highly insulating with electrical transport dominated by thermal emission from deep traps within the oxide. Following hydration these oxides and the native oxides exhibited a large increase in electronic defect density as evidenced by increases in the DC leakage current, reduction in the breakdown field, and increase in AC conductance. Elastic recoil detection of hydrogen revealed that hydration leads to hydrogen incorporation in the oxide films and hydrogen injection through the films into the Al layer below. The increase in electronic defect concentration is related to this hydrogenation and may play a significant role in localized corrosion initiation.

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Biosimmer: A Virtual Reality Simulator for Training First Responders in a BW Scenario

Stansfield, S.A.

BioSimMER (Bioterrorism Simulated Medical Emergency Response) is a Virtual Reality-based mission rehearsal and training environment. BioSimMER employs contingency-oriented, multiple-path algorithms and MOESINIOPS focused on real-world operations. BioSimMER is network-based and immerses multiple trainees in a high resolution synthetic environment, including virtual casualties and instruments that they may interact with and manipulate. Trainees are represented as individuals by virtual human Avatars. The simulation consists of several components: virtual casualties dynamically manifest the symptoms of their injuries and respond to the intervention of the trainees. Agent transport analysis is used to simulate casualty exposures and to drive the responses of simulated sensors/detectors. The selected prototype scenario is representative of combined injuries anticipated in BW operations.

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Stress Isotherms of Porous Thin Materials: Theoretical Predictitions From a Nonlocal Density Functional Theory

Langmuir

Frink, L.J.D.; Van Swol, F.

Recent beam bending (BB) experiments of microporous t31rns with very small pores have shown that the fluid confined in these pores exhibits monotonic compressive stresses as the relative pressure is varied from vacuum to saturation (relative vapor pressure, p/p. = 1). The variation of the stress near saturation is found to be linear in hz(p) and given by the saturated liquid density to within 20%. Capillary condensed fluids are traditionally described by the Laplace-Kelvin (LK) theory. LK theory correctly predicts the slope of the stress near saturation to be pl, but also predicts that the stress should be zero at saturation and tensile between saturation aud the capillary transition pressure. Hence LK theory does not capture the monotonic compressive stress observed in BB experiments. This report describes the results of density functional theory calculations for a simple fluid continued to a slit pore network. We show how the presence of even a small amount of polydispersity in pore size leads to both a monotonic compressive stress as well as the observed LK slope.

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Solvation Effects in Self-Assembled Systems

Frink, L.J.D.

Many types of self-assembly can be found in nature. They include crystallization, the formation of micelles, and the folding of proteins. Recently there has been much interest in pursuing nano-to-microscopically engineered materials by way of self-assembly on imprinted or templated surfaces. In all of these diverse cases, wetting plays a critical role in the assembly process. Wetting involves the interactions of the substrate or amphiphilic molecule or macromolecule with a solvent. In many self-assembled systems we find that the critical feature of the system is a substrate! or macromolecule with a both hydrophilic and hydrophobic nature. In this paper we discuss the wetting properties of a striped surface where the stripes represent alternating chemical characteristics. We show how the chemical heterogeneity affects the wetting properties of the surface (e.g. the static contact angle), and discuss the length limitations on the soft lithography approach. In this paper, the wetting of a chemically heterogeneous surface is studied using a nonlocal Density Functional Theory (DFT). The results for the heterogeneous surface model we discuss have immediate implications for soft-lithography by self-assembly. It also lends fundamental insight into the mechanisms controlling self-assembly of macromolecules. We present the results of nonlocal 2D DFT calculations on the wetting properties of chemically heterogeneous surfaces. These calculations showed complex density distributions and phase behavior as a result of the heterogeneity. The location of the wetting transition are found to be strongly dependent on the extent and strength of the heterogeneity, and complete wetting was suppressed altogether if the hydrophobic parts of the surface were large enough. In these cases, the condensed nanophase may crystallize if the hydrophilic surface-fluid interactions are strong enough. By exploring the phase space including strength of hydrophilic interactions and extent of chemical heterogeneity, an operational phase diagram was established that could be used for designing nanoscopically tailored devices and materials.

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Nanometer-Scale Compositional Structure in III-V Semiconductor Heterostructures Characterized by Scanning Tunneling Microscopy

Journal of Vacuum Science Technology A

Biefeld, Robert M.

Nanometer-scale compositional structure in InAsxP1.InNYAsxPl.x-Y/InP, grown by gas-source molecular-beam epitaxy and in InAsl-xPJkAsl$b#InAs heterostructures heterostructures grown by metal-organic chemical vapor deposition has been characterized using cross-sectional scanning tunneling microscopy. InAsxP1-x alloy layers are found to contain As-rich and P-rich clusters with boundaries formed preferentially within (T 11) and (111) crystal planes. Similar compositional structure is observed within InNYAsxP1-x-Y alloy layers. Imaging of InAsl-xp@Asl#bY superlattices reveals nanometer-scale clustering within both the hAsI-.p and InAsl$bY alloy layers, with preferential alignment of compositional features in the direction. Instances are observed of compositional structure correlated across a heterojunction interface, with regions whose composition corresponds to a smaller unstrained lattice, constant relative to the surrounding alloy material appearing to propagate across the interface.

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Piezoelectric Effects on the Optical Properties of GaN/Al(x)Ga(1-x)N Multiple Quantum Wells

Applied Physics Letters

Chow, Weng W.

Piezoelectric effects on the optical properties of GaN/AlGaN multiple quantum wells (MQWS) have been investigated by picosecond time-resolved photoluminescence (PL) measurements. For MQWS with well thickness 30 and 40 the excitonic transition peak positions at 10 K in continuous wave (CW) spectra are red-shifted with respect to the GaN epilayer by 17 meV and 57 meV, respectively. The time-resolved PL spectra of the 30 and 40 well MQWS reveal that the excitonic transition is in fact blue-shifted at early delay times due to quantum confinement of carriers. The spectral peak position shifts toward lower energies as the delay time increases and becomes red-shifted at longer delay times. We have demonstrated that the results described above is due to the presence of the piezoelectric field in the GaN wells of GaN/AlGaN MQWS subject to elastic strain together with screening of the photoexcited carriers. By comparing experimental and calculation results, we conclude that the piezoelectric field strength in GaN/Al.15G~.85N MQWS has a lower limit value of about 560 kV/cm: The electron and hole wave function distributions have also been obtained. The implication of our findings on the practical applications of GaN based optoelectronic devices is also discussed.

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Reciprocal-Space Analysis of Compositional Modulation in Short-Period Superlattices Using Position-Sensitive X-Ray Detection

Journal of Materials Science: Materials in Electronics

Lee, Stephen R.

Epitaxial growth of AlAs-InAs short-period superlattices on (001) InP can lead to heterostructures exhibiting strong, quasi-periodic, lateral modulation of the alloy composition; transverse satellites arise in reciprocal space as a signature of the compositional modulation. Using an x-ray diffractometer equipped with a position-sensitive x-ray detector, we demonstrate reciprocal-space mapping of these satellites as an efficient, nondestructive means for detecting and characterizing the occurrence of compositional modulation. Systematic variations in the compositional modulation due to the structural design and the growth conditions of the short-period superlattice are characterized by routine mapping of the lateral satellites. Spontaneous compositional modulation occurs along the growth front during molecular-beam epitaxy of (AlAs) (InAs)n short-period superlattices. The modulation is quasi-periodic and forms a lateral superlattice superimposed on the intended SPS structure. Corresponding transverse satellites arise about each reciprocal lattice point, and x-ray diffraction can be routinely used to map their local reciprocal-space structure. The integrated intensity, spacing, orientation, and shape of these satellites provide a reliable means for nondestructively detecting and characterizing the compositional modulation in short-period superlattices. The analytical efficiency afforded by the use of a PSD has enabled detailed study of systematic vacations in compositional modulation as a function of the average composition, the period, and the growth rate of the short- period superlattice

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Plasma Chemistries for High Density Plasma Etching of SiC

Journal of Electronic Materials

Shul, Randy J.

A variety of different plasma chemistries, including SF6, Cl2, IC1 and IBr, have been examined for dry etching of 6H-SiC in high ion density plasma tools (Inductively Coupled Plasma and Electron Cyclotron Resonance). Rates up to 4,500~"min-1 were obtained for SF6 plasmas, while much lower rates (S800~.min-') were achieved with Cl2, ICl and IBr. The F2- based chemistries have poor selectivity for SiC over photoresist masks (typically 0.4-0.5), but Ni masks are more robust, and allow etch depths 210pm in the SiC. A micromachining process (sequential etch/deposition (<2,000Angstrom min-1) for SiC steps) designed for Si produces relatively low etch rates.

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III-Nitride Dry Etching - Comparison of Inductively Coupled Plasma Chemistries

Journal of Vacuum Science and Technology

Shul, Randy J.

A systematic study of the etch characteristics of GaN, AlN and InN has been performed with boron halides- (BI{sub 3} and BBr{sub 3}) and interhalogen- (ICl and IBr) based Inductively Coupled Plasmas. Maximum etch selectivities of -100:1 were achieved for InN over both GaN and AlN in the BI{sub 3} mixtures due to the relatively high volatility of the InN etch products and the lower bond strength of InN. Maximum selectivies of- 14 for InN over GaN and >25 for InN over AlN were obtained with ICl and IBr chemistries. The etched surface morphologies of GaN in these four mixtures are similar or better than those of the control sample.

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Synthesis of Large Arrays of Well-Aligned Carbon Nanotubes on Glass

Science

Siegal, Michael P.

Free-standing aligned carbon nanotubes have previously been grown above 7000C on mesoporous silica embedded with iron nanoparticles. Here, carbon nanotubes aligned over areas up to several square centimeters were grown on nickel-coated glass below 666oC by plasma-enhanced hot filament chemical vapor deposition. Acetylene (C2H2) gas was used as the carbon source and ammonia (NH3) gas was used as a catalyst and dilution gas. Nanotubes with controllable diameters from 20 to 400 nanometers and lengths from 0.1 to 50 micrometers were obtained. Using this method, large panels of aligned carbon nanotubes can be made under conditions that are suitable for device fabrication.

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Post Test Analysis of a PCCV Model Dynamically Tested Under Simulated Design-Basis Earthquakes

Cherry, J.; Chokshi, N.; James, R.J.; Rashid, Y.R.; Tsurumaki, S.; Zhang, L.

In a collaborative program between the United States Nuclear Regulatory Commission (USNRC) and the Nuclear Power Engineering Corporation (NUPEC) of Japan under sponsorship of the Ministry of International Trade and Ihdustry, the seismic behavior of Prestressed Concrete Containment Vessels (PCCV) is being investigated. A 1:10 scale PCCV model has been constructed by NUPEC and subjected to seismic simulation tests using the high performance shaking table at the Tadotsu Engineering Laboratory. A primary objective of the testing program is to demonstrate the capability of the PCCV to withstand design basis earthquakes with a significant safety margin against major damage or failure. As part of the collaborative program, Sandia National Laboratories (SNL) is conducting research in state-of-the-art analytical methods for predicting the seismic behavior of PCCV structures, with the eventual goal of understanding, validating, and improving calculations dated to containment structure performance under design and severe seismic events. With the increased emphasis on risk-informed- regulatory focus, more accurate ch&@erization (less uncertainty) of containment structural and functional integri~ is desirable. This paper presents results of post-test calculations conducted at ANATECH to simulate the design level scale model tests.

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Data Rich, Information Poor

Kaplan, Paul G.

Surviving in a data-rich environment means understanding the difference between data and information. This paper reviews an environmental case study that illustrates that understanding and shows its importance. In this study, a decision problem was stated in terms of au economic-objective fimction. The function contains a term that defines the stochastic relationship between the decision and the information obtained during field chamctetition for an environmental contaminant. Data is defied as samples drawn or experimental realizations of a mudom fimction. Information is defined as the quantitative change in the value of the objective fiction as a result of the sample.

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ATLAS: A Small, Light Weight, Time-Synchronized Wind-Turbine Data Acquistion System

Berg, Dale E.

Wind energy researchers at Sandia National Laboratories have developed a small, lightweight, time- synchronized, robust data acquisition system to acquire long-term time-series data on a wind turbine rotor. A commercial data acquisition module is utilized to acquire data simultaneously from multip!e strain-gauge, analog, and digital channels. Acquisition of rotor data at precisely the same times as acquisition of ground data is ensured by slaving the acquisition clocks on the rotor- based data unit and ground-based units to the Global Positioning Satellite (GPS) system with commercial GPS receiver units and custom-built and programmed programmable logic devices. The acquisition clocks will remain synchronized within two microseconds indefinitely. Field tests have confirmed that synchronization can be maintained at rotation rates in excess of 350 rpm, Commercial spread-spectrum radio modems are used to transfer the rotor data to a ground- based computer concurrently with data acquisition, permitting continuous acquisition of data over a period of several hours, days or even weeks.

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Evaluation of 3 Commercially Available, On-Line TOC Analyzers for Monitoring Recycled Water in Semiconductor Processing

Ultrapure Water Journal

Degenova, J.; Donovan, R.P.; Morrison, D.

Rapid detection of excursions in the concentration of organic contaminants in water that is being recycled is crucial to the more widespread acceptance of rinse water recycling as a method of reducing water usage in semiconductor manufacturing. In 1995 SEMATECH'SS116 PTAB (Project Technical Advisory Board) arbitrarily targeted a response time of 30s as the goal for the on-line detection of TOC (Total Oxidizable Carbon) in water - a goal thought to simpliilj the design of water recycling systems (less volume required for water storage in the recycle loop) and lead to more widespread adoption of recycling of spent rinse waters by the US semiconductor industry. A subsequent evaluation of the TOC analyzers commercially available in early 1996 demonstrated that the fastest response times were on the order of three minutes ljllef. 1]. This paper updates the 1996 evaluation of commercially available TOC analyzers by assessing modified versions of two of the previously evaluated analyzers and also anew analyzer that became commercially available in 1997.

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Esperanzaite, NaCa(2)Al(2)(As(5+)O(4))[As(5+)O(3)(OH)](OH)(2)F(4)(H(2)O), A New Mineral From Mina La Esperanza, Mexico: Descriptive Mineralogy and Atomic Arrangement

Canadian Mineralogist

Hlava, Paul F.

Esperanzaite, ideally NaCazA12(As5+0.i)[As5+03 (OH)] (OH)2FJH20), Z =2, is a new mineral from the Mina h Esperarq Durango State, Mexico. The mineral occurs as blue-green botryoidal crystalline masses on rhyolite, with separate spheres up to 1.5 mm Y Deceased in diameter. Mobs hardness is 4.5, specific gravity 3.240h, and 3.36( 3)C.IC. Optical properties were measured in 589 nm light. Esperanzaite is biaxial (-), .Y= Y = Z= colorless, a 1.580(1), ~ 1.588( 1), and y 1.593(1 ); 2V0hs is 74(1 ~ and 2 }'CUIC is 76.3". Dispersion is medium, r < v, and optic axes are oriented as a A Z = +50.5o, b = Y, c P. X = +35". The five strongest X-ray diffraction maxima in the powder pattern are (~ /, hk~: 2.966,100, 13 i, 31 i, 031 ; 3.527,90, 220; 2.700,90,221,002, 040; 5.364>80, 001, 020; 4.796,80,011. Esperanzaite is monoclinic, u 9.687(5), b 10.7379(6), c 5.5523(7)& ~ 105.32( 1 )", space group P21/nz. The atomic arrangement of esperanzaite was solved by Direct Methods and Fourier analysis (R= 0.03 1). The Fundamental Building Block is formed of stacks of heteropolyhedral tetramers; the tetramers are formed of two arsenate tetrahedral and two Al octahedra, comer-linked in 4-member rings. The Fundamental Building Blocks are linked by irregular lda~j and Ca@ polyhedra.

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GaN: Defect and Device Issues

Applied Physics Review

Shul, Randy J.

The role of extended and point defects, and key impurities such as C, O and H, on the electrical and optical properties of GaN is reviewed. Recent progress in the development of high reliability contacts, thermal processing, dry and wet etching techniques, implantation doping and isolation and gate insulator technology is detailed. Finally, the performance of GaN-based electronic and photonic devices such as field effect transistors, UV detectors, laser diodes and light-emitting diodes is covered, along with the influence of process-induced or grown-in defects and impurities on the device physics.

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Enhancement of the Two-Dimensional Conduction Electron Zeeman Energy Near v=1 by Optical Dynamic Nuclear Polarization

Physical Review Letters

Simmons, Jerry A.

Enhancement of the Zeeman energy of 2D conduction electrons near v = 1 by optical dynamic nuclear polarization (lINP), as observed by the Overhauser shift of the transport detected electron spin resonance, is measured quantitatively for the first time in GaAs/AIGaAs mukiquantum wells. The NMR signal enhancement is obtained under similar conditions in the same sample, allowing the hyperke coupling constant of 3.7T between between the nuclei and 2D conduction electrons to be measured for the first time. The potential to suppress the Zeeman energy by optical DNP is discussed in the context of its potential influence on Skyrmion formation.

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Russia-U.S. Joint Program on the Safe Management of Nuclear Materials: Approaches to Prioritizing the Lab to Lab Project

Young, Mary L.

The U.S. and Russian weapons dismantlement process is producing hundreds of tons of excess plutonium (Pu) and highly enriched uranium (HEU) fissile materials. The nuclear operations associated with the final disposition of these materials will be occurring in both countries for decades. A significant accident during these operations could delay the disposition process. Russia- U.S. collaborative efforts to address safety issues associated with disposition processes have been ongoing since 1993. The experience of these collaborative efforts have demonstrated the need for a systematic and formalized approach to identifjring and prioritizing collaborative projects. A systematic approach to the successfid implementation of a formal program will require the definition of year by year program objectives, specific technical program areas, a process for the prioritization and selection of projects, and identification of performance measures to evaluate the success of projects. Specialized working groups established for each technical area are needed to define research priorities, review research proposals, and recommend proposals for tiding. A systematic approach to the establishment of a formal U.S.-Russia cooperative program will serve to ensure the safety and continuity of disposition processes and reduce the nuclear proliferation risks presented by this material. The U.S. and Russian weapons dismantlement process is producing hundreds of tons of excess plutonium (Pu) and highly enriched uranium (HEU) fissile materials. The U.S. and Russia are both converting and blending HEU into low enriched uranium (LEU) for use in existing reactors. Russia also plans to fiel reactors with excess Pu. The U.S. is on a two-path approach for the disposition of excess Pu: (1) use of Pu in existing reactors and/or (2) immobilization of the Pu in glass or ceramics followed by geologic disposal. The fissile nuclear materials storage, handling, processing, and transportation processes associated with the disposition process will be occurring in both countries for decades. A significant accident at any point in the process could significantly delay the disposition process. Russia-U.S. collaborative efforts to address safety issues associated with nuclear processes required for the disposition of excess weapons grade nuclear materials were initiated in response to the 1993 Tomsk-7 accident. A joint Russia-U.S. team evaluated the causes of an explosion in a nuclear fuel reprocessing tank at the Tomsk-7.

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Laser Engineered Net Shaping (LENS(TM)): A Tool for Direct Fabrication of Metal Parts

Atwood, Clinton L.

For many years, Sandia National Laboratories has been involved in the development and application of rapid prototyping and dmect fabrication technologies to build prototype parts and patterns for investment casting. Sandia is currently developing a process called Laser Engineered Net Shaping (LENS~) to fabricate filly dense metal parts dwectly from computer-aided design (CAD) solid models. The process is similar to traditional laser-initiated rapid prototyping technologies such as stereolithography and selective laser sintering in that layer additive techniques are used to fabricate physical parts directly from CAD data. By using the coordinated delivery of metal particles into a focused laser beam apart is generated. The laser beam creates a molten pool of metal on a substrate into which powder is injected. Concurrently, the substrate on which the deposition is occurring is moved under the beam/powder interaction zone to fabricate the desired cross-sectiwal geometry. Consecutive layers are additively deposited, thereby producing a three-dmensional part. This process exhibits enormous potential to revolutionize the way in which metal parts, such as complex prototypes, tooling, and small-lot production parts, are produced. The result is a comple~ filly dense, near-net-shape part. Parts have been fabricated from 316 stainless steel, nickel-based alloys, H13 tool steel, and titanium. This talk will provide a general overview of the LENS~ process, discuss potential applications, and display as-processed examples of parts.

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Understanding Thermal Behavior in Lens Processing of Structural Materials

Griffith, Michelle L.

In direct laser metal deposition technologies, such as the Laser (LENS) process, it is important to understand and control the Engineered Net Shaping thermal behavior during fabrication. With this control, components can be reliably fabricated with desired structural material properties. This talk will describe the use of contact and imaging techniques to monitor the thermal signature during LENS processing. Recent results show a direct correlation between thermal history and material properties, where the residual stress magnitude decreases as the laser power, and therefore thermal signature, increases. Development of an understanding of solidification behavior, residual stress, and microstructural evolution with respect to thermal behavior will be discussed.

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Inductively Coupled Plasma and Electron Cyclotron Resonance Plasma Etching of InGaAlP Compound Semiconductor System

Solid State and Materials Science

Shul, Randy J.

Current and future generations of sophisticated compound semiconductor devices require the ability for submicron scale patterning. The situation is being complicated since some of the new devices are based on a wider diversity of materials to be etched. Conventional IUE (Reactive Ion Etching) has been prevalent across the industry so far, but has limitations for materials with high bond strengths or multiple elements. IrI this paper, we suggest high density plasmas such as ECR (Electron Cyclotron Resonance) and ICP (Inductively Coupled Plasma), for the etching of ternary compound semiconductors (InGaP, AIInP, AlGaP) which are employed for electronic devices like heterojunction bipolar transistors (HBTs) or high electron mobility transistors (HEMTs), and photonic devices such as light-emitting diodes (LEDs) and lasers. High density plasma sources, opeiating at lower pressure, are expected to meet target goals determined in terms of etch rate, surface morphology, surface stoichiometry, selectivity, etc. The etching mechanisms, which are described in this paper, can also be applied to other III-V (GaAs-based, InP-based) as well as III-Nitride since the InGaAIP system shares many of the same properties.

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Inductively Coupled Plasma Etching of III-V Antimonides in BCl(3)/Ar and Cl(2)/Ar

Journal of Vacuum Science and Technology

Shul, Randy J.

Inductively coupled plasma (ICP) etching characteristics of GaSb and AIGaAsSb have been investigated in BC13/Ar and Clz/Ar plasmas. The etch rates and selectivity between GaSb and AIGaAsSb are reported as functions of plasma chemistry, ICP power, RF self-bias, and chamber pressure. It is found that physical sputtering resorption of the etch products plays a dominant role in BC13/Ar ICP etching, while in Clz/Ar plasma, the chemical reaction dominates the etching. GaSb etch rates exceeding 2 ~rnhnin are achieved in Clz/Ar plasmas with smooth surfaces and anisotropic profiles. In BC13/Ar plasmas, etch rates of 5100 Mmin and 4200 Mmin are obtained for GaSb and AIGaAsSb, respectively. The surfaces of both GaSb and AIGaAsSb etched in BC13/Ar plasmas remain smooth and stoichiometric over the entire range of plasma conditions investigated. This result is attributed to effective removal of etch products by physical sputtering. For a wide range of plasma conditions, the selectivity between GaSb and AIGaAsSb is close to unity, which is desirable for fabricating etched mirrors and gratings for Sb-based mid-IR laser diodes.

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Analysis of Decentralized Variable Structure Control for Collective Search by Mobile Robots

Goldsmith, Steven Y.

This paper presents an analysis of a decentralized coordination strategy for organizing and controlling a team of mobile robots performing collective search. The alpha-beta coordination strategy is a family of collective search algorithms that allow teams of communicating robots to implicitly coordinate their search activities through a division of labor based on self-selected roIes. In an alpha-beta team. alpha agents are motivated to improve their status by exploring new regions of the search space. Beta a~ents are conservative, and reiy on the alpha agents to provide advanced information on favorable regions of the search space. An agent selects its current role dynamically based on its current status value relative to the current status values of the other team members. Status is determined by some function of the agent's sensor readings, and is generally a measurement of source intensity at the agent's current location. Variations on the decision rules determining alpha and beta behavior produce different versions of the algorithm that lead to different global properties. The alpha-beta strategy is based on a simple finite-state machine that implements a form of Variable Structure Control (VSC). The VSC system changes the dynamics of the collective system by abruptly switching at defined states to alternative control laws . In VSC, Lyapunov's direct method is often used to design control surfaces which guide the system to a given goal. We introduce the alpha-beta aIgorithm and present an analysis of the equilibrium point and the global stability of the alpha-beta algorithm based on Lyapunov's method.

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Chemically Selective Coated Quartz Crystal Microbalance (QCM) Array for Detection of Volatile Organic Chemicals

Martin, Steve W.

Liquid flow cells have been fabricated to prepare an array of QCMS operating simultaneously for detection and identification of VOCS in water. TWO signals, a tlequency response and a damping voltage response, were obtained per resonator. A blank QCM was used as a reference to account for changes in liquid density and viscosity. Nine different polymer coatings applied using a spin coat technique have been examined for VOC response under liquid flow conditions. A matrix of three classes of VOCS were examined for each coating with four chemicals in each class. The three classes of VOCS are polar, nonpolar and chlorinated. A pattern recognition technique, called visually empirical region of influence (VERI), was used to cluster the responses in n-dimensional space. Chemicals within a class varying by only one methyl group (e.g., toluene and xylene) are easily discriminated using only two different coatings with three different QCM responses. All chemicak were easily separated and detected with a total of 5 films and 6 responses with >99% accuracy.

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Statistical Tests of System Linearity Based on the Method of Surrogate Data

Paez, Thomas L.

When dealing with measured data from dynamic systems we often make the tacit assumption that the data are generated by linear dynamics. While some systematic tests for linearity and determinism are available - for example the coherence fimction, the probability density fimction, and the bispectrum - fi,u-ther tests that quanti$ the existence and the degree of nonlinearity are clearly needed. In this paper we demonstrate a statistical test for the nonlinearity exhibited by a dynamic system excited by Gaussian random noise. We perform the usual division of the input and response time series data into blocks as required by the Welch method of spectrum estimation and search for significant relationships between a given input fkequency and response at harmonics of the selected input frequency. We argue that systematic tests based on the recently developed statistical method of surrogate data readily detect significant nonlinear relationships. The paper elucidates the method of surrogate data. Typical results are illustrated for a linear single degree-of-freedom system and for a system with polynomial stiffness nonlinearity.

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Z: A Fast Pulsed Power Generator for Ultra-High Magnetic Field Generation

Spielman, Rick

Advances in fast, pulsed-power technologies have resulted in the development of very high current drivers that have current rise times - 100 ns. The largest such pulsed power drive r today is the new Z accelerator located at Sandia National Laboratories in Albuquerque, New Mexico. Z is capable of delivering more than 20 MA with a time-to-peak of 105 ns to low inductance (- 1 nH)loads. Such large drivers are capable of directly generating magnetic fields approaching 3 kT in small, 1 -cm3, volumes. In addition to direct field generation, Z can be used to compress an applied, axial seed field with a plasma. Flux compression scheme~: are not new and are, in fact, the basis of all explosive flux-compression generators but we propose the use of plasma armatures rather than solid, conducting armatures. We will present experimental results from the Z accelerator in which magnetic fields - 2 kT are generated and measured with several diagnostics. Issues such as energy loss in solid conductors and dynamic response of current-carrying conductors to very large magnetic fields will be reviewed in context with Z experiments. We will describe planned flux-compression experiments that are expected to create the highest-magnitude uniform-field volumes yet attained in the laboratory.

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Elastic Wave Radiation from a Line Source of Finite Length

Aldridge, David F.

Straightforward algebraic expressions describing the elastic wavefield produced by a line source of finite length are derived in circular cylindrical coordinates. The surrounding elastic medium is assumed to be both homogeneous and isotropic, anc[ the source stress distribution is considered axisymmetic. The time- and space-domain formulae are accurate at all distances and directions from the source; no fa-field or long-wavelength assumptions are adopted for the derivation. The mathematics yield a unified treatment of three different types of sources: an axial torque, an axial force, and a radial pressure. The torque source radiates only azirnuthally polarized shear waves, whereas force and pressure sources generate simultaneous compressional and shear radiation polarized in planes containing the line source. The formulae reduce to more familiar expressions in the two limiting cases where the length of the line source approaches zero and infinity. Far-field approximations to the exact equations indicate that waves radiated parallel to the line source axI.s are attenuated relative to those radiated normal to the axis. The attenuation is more severe for higher I?equencies and for lower wavespeeds. Hence, shear waves are affected more than compressional waves. This fi-equency- and directiondependent attenuation is characterized by an extremely simple mathematical formula, and is readily apparent in example synthetic seismograms.

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JCZS: An Intermolecular Potential Database for Performing Accurate Detonation and Expansion Calculations

Propellants, Explosives, Pyrotechnics

Hobbs, Michael L.

Exponential-13,6 (EXP-13,6) potential pammeters for 750 gases composed of 48 elements were determined and assembled in a database, referred to as the JCZS database, for use with the Jacobs Cowperthwaite Zwisler equation of state (JCZ3-EOS)~l) The EXP- 13,6 force constants were obtained by using literature values of Lennard-Jones (LJ) potential functions, by using corresponding states (CS) theory, by matching pure liquid shock Hugoniot data, and by using molecular volume to determine the approach radii with the well depth estimated from high-pressure isen- tropes. The JCZS database was used to accurately predict detonation velocity, pressure, and temperature for 50 dif- 3 Accurate predictions were also ferent explosives with initial densities ranging from 0.25 glcm3 to 1.97 g/cm . obtained for pure liquid shock Hugoniots, static properties of nitrogen, and gas detonations at high initial pressures.

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Foam Micromechanics

NATO Advanced Studies, Institute on

Kraynik, Andrew M.

Foam evokes many different images: waves breaking at the seashore, the head on a pint of Guinness, an elegant dessert, shaving, the comfortable cushion on which you may be seated... From the mundane to the high tech, foams, emulsions, and cellular solids encompass a broad range of materials and applications. Soap suds, mayonnaise, and foamed polymers provide practical motivation and only hint at the variety of materials at issue. Typical of mukiphase materiaIs, the rheoIogy or mechanical behavior of foams is more complicated than that of the constituent phases alone, which may be gas, liquid, or solid. For example, a soap froth exhibits a static shear modulus-a hallmark of an elastic solid-even though it is composed primarily of two Newtonian fluids (water and air), which have no shear modulus. This apparent paradox is easily resolved. Soap froth contains a small amount of surfactant that stabilizes the delicate network of thin liq- uid films against rupture. The soap-film network deforms in response to a macroscopic strain; this increases interracial area and the corresponding sur- face energy, and provides the strain energy of classical elasticity theory [1]. This physical mechanism is easily imagined but very challenging to quantify for a realistic three-dimensional soap froth in view of its complex geome- try. Foam micromechanics addresses the connection between constituent properties, cell-level structure, and macroscopic mechanical behavior. This article is a survey of micromechanics applied to gas-liquid foams, liquid-liquid emulsions, and cellular solids. We will focus on static response where the foam deformation is very slow and rate-dependent phenomena such as viscous flow can be neglected. This includes nonlinear elasticity when deformations are large but reversible. We will also discuss elastic- plastic behavior, which involves yield phenomena. Foam structures based on polyhedra packed to fill space provide a unify- ing geometrical theme. Because a two-dimensional situation is always easier to visualize and usually easier to analyze, the roots of foam micromechanics lie in the plane packed with polygons. There are striking similarities as well as obvious differences between 2D and 3D.

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Using Common Sense to Effectively Integrate Security Technologies within a School's Security Strategy

Gree, M.W.

Security technologies are not the answer to all school security problems. However, they can be an excellent tool for school administrators and security personnel when incorporated into a total security strategy involving personnel, procedures, and facility layout. Unfortunately, very few of the tougher security problems in schools have solutions that are affordable, effective, and acceptable. Like any other type of facility, a school's security staff must understand the strengths and limitations of the security measures they are c

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Applications of Virtual Reality to Nuclear Safeguards

Stansfield, S.

This paper explores two potential applications of Virtual Reality (VR) to international nuclear safeguards: training and information organization and navigation. The applications are represented by two existing prototype systems, one for training nuclear weapons dismantlement and one utilizing a VR model to facilitate intuitive access to related sets of information.

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Impacts of Deregulation on the Reliability of a Multi-Area Power Pool

Robinson, David G.

The paper presents an investigation of the impacts of deregulation on the reliability, in terms of capacity adequacy, of a large multi-arm power pool. The study was conducted using a vwsirm of a Monte Carlo simulation-based bulk power system rdiability model called NA.RI'. The study examined expected ohanges in opmating policies and other changes expected under deregulation and Gorwludes that reliabtity is Uke\ y to be signific~tly degraded at least until the transmission network can be strengthen.

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Self-Aligned GaAs JFETs for Low-Power Microwave Amplifiers and RFICs at 2.4 GHz

Electronic Letters

Baca, Albert G.

Self-aligned GaAs JFET narrowband amplifiers operating at 2.4 GHz were designed and fabricated with both discrete WETS as a hybrid amplifier and as RFICS. Enhancement-mode JFETs were used in order to be compatible with complementary digital logic. Hybrid amplifiers achieved 8-10 dB of gain at 2.4 GHz and 1 mW DC bias level. The RFIC achieved 10 dB of gain at 24 GHz and 2 mW DC bias level.

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Electromagnetic Properties of Impact-Generated Plasma, Vapor and Debris

Crawford, David A.

Plasma, vapor and debris associated with an impact or explosive event have been demonstrated in the laboratory to produce radiofrequency and optical electromagnetic emissions that can be diagnostic of the event. Such effects could potentially interfere with communications or remote sensing equipment if an impact occurred, for example, on a satellite. More seriously, impact generated plasma could end the life of a satellite by mechanisms that are not well understood and not normally taken into account in satellite design. For example, arc/discharge phenomena resulting from highly conductive plasma acting as a current path across normally shielded circuits may have contributed to the loss of the Olympus experimental communications satellite on August 11, 1993. The possibility of significant storm activity during the Leonid meteor showers of November 1998, 1999 and 2000 (impact velocity, 72 km/s) has heightened awareness of potential vulnerabilities from hypervelocity electromagnetic effects to orbital assets. The concern is justified. The amount of plasma, electrostatic charge and the magnitude of the resulting currents and electric fields scale nearly as the cube of the impact velocity. Even for microscopic Leonid impacts, the amount of plasma approaches levels that could be dangerous to spacecraft electronics. The degree of charge separation that occurs during hypervelocity impacts scales linearly with impactor mass. The resulting magnetic fields increase linearly with impactor radius and could play a significant role in our understanding of the paleomagnetism of planetary surfaces. The electromagnetic properties of plasma produced by hypervelocity impact have been exploited by researchers as a diagnostic tool, invoked to potentially explain the magnetically jumbled state of the lunar surface and blamed for the loss of the Olympus experimental communications satellite. The production of plasma in and around an impact event can lead to several effects: (1) the plasma provides a significant perturbation to the ambient magnetic field via the electromagnetic pulse; (2) it supports the production of transient radiofrequency electromagnetic fields; (3) it charges ejected debris which, because of inertial separation, leads to significant electrostatic and magnetostatic field production; and (4) its high electrical conductivity provides a convenient path for discharge of the resulting high electrostatic fields. Effects (1) and (2) have been discussed by the authors elsewhere. Effects (3) and (4) will be discussed here. Typical studies of kinetic energy warheads focus on lethality as a function of impactor momentum or energy as they couple mechanically to the target. At high enough energies, however, additional physical processes come into play. Vaporization plays an important role and a partially ionized plasma can form. Impact-generated plasma, charged debris and magnetic fields have been characterized by laboratory hypervelocity impact experiments and are shown to be more abundant when certain easily ionized materials (such as alkali metals) are used in either projectile or target.

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Seismic Response of a Deep Underground Geologic Repository for Nuclear Waste at the Waste Isolation Pilot Plant in New Mexico

Sanchez, Paul E.

The Waste Isolation Pilot Plant (WIPP) is a deep underground nuclear waste repository certified by the U.S. Environmental Protection Agency ,(EPA) to store transuranic defense-related waste contaminated by small amounts of radioactive materials. Located at a depth of about 655 meters below the surface, the facility is sited in southeastern New Mexico, about 40 Department of Energy underground facilities, waste disposal. kilometers east of the city of Carlsbad, New Mexico. The U.S. (DOE) managed the design and construction of the surface and and remains responsible for operation and closure following The managing and operating contractor for the DOE at the WIPP, Westinghouse Electric Corporation, maintains two rechmiant seismic monitoring systems located at the surface and in the underground. This report discusses two earthquakes detected by the seismic monitoring system, one a duratior magnitude 5.0 (Md) event located approximately 60 km east-southeast of the facility, and another a body-wave magnitude 5.6 (rob) event that occurred approximately 260 kilometers to the south-southeast.

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CMC Participation in the Regional Centre for Strategic Studies (RCSS) Workshop: Defense, Technology and Cooperative Security in South Asia

Biringer, Kent L.

As an ongoing part of the collaborative efforts between the Cooperative Monitoring Center (CMC) at Sandia National Laboratories, the United States Arms Control and Disarmament Agency (ACDA), and U.S. Department of Energy (DOE), staff from the CMC served as faculty in conducting a workshop in Shanghai, China. Sponsor of the workshop was the Regional Centre for Strategic Studies (RCSS) based in Colombo, Sri Lanka. The workshop included participants from throughout South Asia and China. The CMC presented four sessions related to the role of monitoring technologies in promoting regional security and building confidence among nations. Participation in these workshops supports U.S. efforts to further regional cooperation and promote arms control, nonproliferation and other cooperative securily measures and supplements efforts funded by DOE and ACDA over the past four years. The RCSS Shanghai meeting permitted a continued CMC involvement in regionally conducted training for anew generation of leaders in government, the military, and academia throughout South Asia and China. Nuclear issues are clearly a dominant South Asian concern since the nuclear tests of May 1998. However, there remains a strong interest in identifying opportunities for increased trade and reduced tensions in other areas. The RCSS and other regional organizations are enthusiastic about continued CMC involvement in future regional courses.

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A Multi-Attribute Utility Decision Analysis for Treatment Alternatives for the DOE/SR Aluminum-Based Spent Nuclear Fuel

Wheeler, Timothy A.

A multi-attribute utility analysis is applied to the decision to select a treatment method for the management of aluminum-based spent nuclear i%el (A1-SNF) owned by the United States Department of Energy (DOE). DOE will receive, treat, and temporarily store Al- SNF, most of which is composed of highly enriched uranium, at its Savannah River Site in South Carolina. DOE intends ultimately to send the treated Al-SNJ? to a geologic repository for permanent disposal. DOE initially considered ten treatment alternatives for the management of A1-SNF, and has narrowed the choice to two of these the direct disposal and melt and dilute alternatives. The decision analysis presented in this document focuses on a decision between these two remaining alternatives.

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H1616 Shipping Container Radiographic Inspection Report

Tipton, David G.

The HI616 shipping container is a certified type B(U) packaging used by the Department of Energy (DOE) to ship tritium in support of defense programs. During the 1997 recertification of the container, DOE became concerned about the possible cracking of the polyurethane foam in the overpacks of the 2300 containers currently in service. In response, Sandia National Laboratories (SNL) initiated a radiographic inspection program to determine if cracking of the foam was occurring in the H1616 overpacks. SNL developed the radiographic technique for inspecting the foam and contracted the Savannah River Site's Tritium Engineering division to inspect a representative sample of overpacks in service. This report details the development process and the results of all of the radiography performed both at SNL and Savannah River.

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Certainty in Stockpile Computing: Recommending a Verification and Validation Program for Scientific Software

Lee, J.R.

As computing assumes a more central role in managing the nuclear stockpile, the consequences of an erroneous computer simulation could be severe. Computational failures are common in other endeavors and have caused project failures, significant economic loss, and loss of life. This report examines the causes of software failure and proposes steps to mitigate them. A formal verification and validation program for scientific software is recommended and described.

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An Investigation of Wavelet Bases for Grid-Based Multi-Scale Simulations Final Report

Christon, Mark

The research summarized in this report is the result of a two-year effort that has focused on evaluating the viability of wavelet bases for the solution of partial differential equations. The primary objective for this work has been to establish a foundation for hierarchical/wavelet simulation methods based upon numerical performance, computational efficiency, and the ability to exploit the hierarchical adaptive nature of wavelets. This work has demonstrated that hierarchical bases can be effective for problems with a dominant elliptic character. However, the strict enforcement of orthogonality was found to be less desirable than weaker semi-orthogonality or bi-orthogonality for solving partial differential equations. This conclusion has led to the development of a multi-scale linear finite element based on a hierarchical change of basis. The reproducing kernel particle method has been found to yield extremely accurate phase characteristics for hyperbolic problems while providing a convenient framework for multi-scale analyses.

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Welding the AT-400A Containment Vessel

Brandon, E.

Early in 1994, the Department of Energy assigned Sandia National Laboratories the responsibility for designing and providing the welding system for the girth weld for the AT-400A containment vessel. (The AT-400A container is employed for the shipment and long-term storage of the nuclear weapon pits being returned from the nation's nuclear arsenal.) Mason Hanger Corporation's Pantex Plant was chosen to be the production facility. The project was successfully completed by providing and implementing a turnkey welding system and qualified welding procedure at the Pantex Plant. The welding system was transferred to Pantex and a pilot lot of 20 AT-400A containers with W48 pits was welded in August 1997. This document is intended to bring together the AT-400A welding system and product (girth weld) requirements and the activities conducted to meet those requirements. This document alone is not a complete compilation of the welding development activities but is meant to be a summary to be used with the applicable references.

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Design Molecular Recognition Materials for Chiral Sensors, Separtations and Catalytic Materials

Nenoff, Tina M.

The goal is the development of materials that are highly sensitive and selective for chid chemicals and biochemical (such as insecticides, herbicides, proteins, and nerve agents) to be used as sensors, catalysts and separations membranes. Molecular modeling methods are being used to tailor chiral molecular recognition sites with high affinity and selectivity for specified agents. The work focuses on both silicate and non-silicate materials modified with chirally-pure fictional groups for the catalysis or separations of enantiomerically-pure molecules. Surfactant and quaternary amine templating is being used to synthesize porous frameworks, containing mesopores of 30 to 100 angstroms. Computer molecukw modeling methods are being used in the design of these materials, especially in the chid surface- modi~ing agents. Molecular modeling is also being used to predict the catalytic and separations selectivities of the modified mesoporous materials. The ability to design and synthesize tailored asymmetric molecular recognition sites for sensor coatings allows a broader range of chemicals to be sensed with the desired high sensitivity and selectivity. Initial experiments target the selective sensing of small molecule gases and non-toxic model neural compounds. Further efforts will address designing sensors that greatly extend the variety of resolvable chemical species and forming a predictive, model-based method for developing advanced sensors.

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Optical Communication System for Remote Monitoring and Adaptive Control of Distributed Ground Sensors Exhibiting Collective Intelligence

Stantz, K.M.

Comprehensive management of the battle-space has created new requirements in information management, communication, and interoperability as they effect surveillance and situational awareness. The objective of this proposal is to expand intelligent controls theory to produce a uniquely powerful implementation of distributed ground-based measurement incorporating both local collective behavior, and interoperative global optimization for sensor fusion and mission oversight. By using a layered hierarchal control architecture to orchestrate adaptive reconfiguration of autonomous robotic agents, we can improve overall robustness and functionality in dynamic tactical environments without information bottlenecks. In this concept, each sensor is equipped with a miniaturized optical reflectance modulator which is interactively monitored as a remote transponder using a covert laser communication protocol from a remote mothership or operative. Robot data-sharing at the ground level can be leveraged with global evaluation criteria, including terrain overlays and remote imaging data. Information sharing and distributed intelli- gence opens up a new class of remote-sensing applications in which small single-function autono- mous observers at the local level can collectively optimize and measure large scale ground-level signals. AS the need for coverage and the number of agents grows to improve spatial resolution, cooperative behavior orchestrated by a global situational awareness umbrella will be an essential ingredient to offset increasing bandwidth requirements within the net. A system of the type described in this proposal will be capable of sensitively detecting, tracking, and mapping spatial distributions of measurement signatures which are non-stationary or obscured by clutter and inter- fering obstacles by virtue of adaptive reconfiguration. This methodology could be used, for example, to field an adaptive ground-penetrating radar for detection of underground structures in urban environments and to detect chemical species concentrations in migrating plumes. Given is our research in these areas and a status report of our progress.

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Recognizing Atoms in Atomically Engineered Nanostructures: An Interdisciplinary Approach

Osbourn, Gordon C.

This report describes the results of a Sandia Laboratov Directed Research & Development project to develop a technique that can identifi atoms in atomically engineered nanostructures. The report provides a detailed description of the experimental measurement techniques and subsequent image analysis procedures used in the identification process, followed by examples of the technique's successful application to several atomic surface features. Use of this technique requires the experimental measurement of both constant-current topographic and multi-bias conductance data from an atomic surface with the scanning tunneling microscope. These measurements are rendered as a collection of topographic and single-bias conductance images of the surface. Image pixels are then grouped into classes by a computed grouping algorithm, according to the shared conductance characteristics exhibited at each pixel. The image pixels are then color-coded by class to produce a false-color image of the scanned surface that chemically distinguishes surface electronic features over the entire area of the measured atomic surface.

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Stabilization of In-Tank Residual Wastes and External-Tank Soil Contamination for the Hanford Tank Closure Program: Applications to the AX Tank Farm

Westrich, Henry R.

Technical support for the Hanford Tank Closure Program focused on evaluation of concepts for immobilization of residual contaminants in the Hanford AX tanks and underlying soils, and identification of cost-effective approaches to improve long-term performance of AX tank farm cIosure systems. Project objectives are to develop materials or engineered systems that would significantly reduce the radionuclide transport to the groundwater from AX tanks containing residual waste. We pursued several studies that, if implemented, would help achieve these goals. They include: (1) tank fill design to reduce water inilltration and potential interaction with residual waste; (2) development of in-tank getter materials that would specifically sorb or sequester radionuclides; (3) evaluation of grout emplacement under and around the tanks to prevent waste leakage during waste retrieval or to minimize water infiltration beneath the tanks; (4) development of getters that will chemically fix specific radionuclides in soils under tanks; and (5) geochemical and hydrologic modeling of waste-water-soil-grout interactions. These studies differ in scope from the reducing grout tank fill employed at the Savannah River Site in that our strategy improves upon tank fill design by providing redundancy in the barriers to radionuclide migration and by modification the hydrogeochemistry external to the tanks.

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Arylene-bridged 2,2,5,5-tetramethyl2,5-disila-1-oxacyclopentanes as precursors to non-shrinking polysiloxanes. A new route to sol-gel type polymers

Loy, Douglas A.

Sol-gel chemistry has been the focus of much attention in the design and preparation of highly crosslinked polysiloxane gels. Preparation of sol-gel processed silica or polysilesquioxane gels is carried out by the hydrolysis and condensation of alkoxysilyl monomers, usually in the presence of catalytic acid or base and an excess of water. Removal of the alcohol and water byproducts of the condensation reactions, in addition to the alcohol needed to co-dissolve the hydrophobic monomers with water, leads to substantial shrinkage during drying of the resulting gels. This limits the utility of sol-gel processing for applications requiring net-shape casting of artifacts, crack free coatings, or low vaporous organic contaminants (VOCs). It would be advantageous to have a sol-gel process based on an organosilicon monomer that would not require water as a reactant or produce water and alcohol condensation products and still result in siloxane network polymers capable of forming gels. Here, the authors show the synthesis and preparation of a novel sol-gel monomer which can easily be polymerized by ring opening polymerization to give highly crosslinked polysiloxane gels with no condensation byproducts.

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Air sparging/high vacuum extraction to remove chlorinated solvents in groundwater and soil

Phelan, James M.

An air sparging and high vacuum extraction was installed as an alternative to a containment pump and treat system to reduce the long-term remediation schedule. The site is located at the DOE Mound facility in Miamisburg, Ohio, just south of Dayton. The air sparging system consists of 23 wells interspersed between 17 soil vapor extraction wells. The SVE system has extracted about 1,500 lbs of VOCs in five months. The air sparging system operated for about 6 weeks before shutdown due to suspected biochemical fouling. Technical data are presented on the operating characteristics of the system.

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Time resolved, 2-D hard X-ray imaging of relativistic electron-beam target interactions on ETA-II

Crist, C.E.

Advanced radiographic applications require a constant source size less than 1 mm. To study the time history of a relativistic electron beam as it interacts with a bremsstrahlung converter, one of the diagnostics they use is a multi-frame time-resolved hard x-ray camera. They are performing experiments on the ETA-II accelerator at Lawrence Livermore National Laboratory to investigate details of the electron beam/converter interactions. The camera they are using contains 6 time-resolved images, each image is a 5 ns frame. By starting each successive frame 10 ns after the previous frame, they create a 6-frame movie from the hard x-rays produced from the interaction of the 50-ns electron beam pulse.

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Ontological leveling and elicitation for complex industrial transactions

Phillips, Laurence R.

The authors present an agent-oriented mechanism that uses a central ontology as a means to conduct complex distributed transactions. This is done by instantiating a template object motivated solely by the ontology, then automatically and explicitly linking each temple element to an independently constructed interface component. Validation information is attached directly to the links so that the agent need not know a priori the semantics of data validity, merely how to execute a general validation process to satisfy the conditions given in the link. Ontological leveling is critical: all terms presented to informants must be semantically coherent within the central ontology. To illustrate this approach in an industrial setting, they discuss an existing implementation that conducted international commercial transactions on the World-Wide Web. Agents operating within a federated architecture construct, populate by Web-based elicitation, and manipulate a distributed composite transaction object to effect transport of goods over the US/Mexico border.

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Experiences developing ALEGRA: A C++ coupled physics framework

Budge, Kent G.

ALEGRA is a coupled physics framework originally written to simulate inertial confinement fusion (ICF) experiments being conducted at the PBFA-II facility at Sandia National Laboratories. It has since grown into a large software development project supporting a number of computational programs at Sandia. As the project has grown, so has the development team, from the original two authors to a group of over fifteen programmers crossing several departments. In addition, ALEGRA now runs on a wide variety of platforms, from large PCs to the ASCI Teraflops massively parallel supercomputer. The authors discuss the reasons for ALEGRA`s success, which include the intelligent use of object-oriented techniques and the choice of C++ as the programming language. They argue that the intelligent use of development tools, such as build tools (e.g. make), compiler, debugging environment (e.g. dbx), version control system (e.g. cvs), and bug management software (e.g. ClearDDTS), is nearly as important as the choice of language and paradigm.

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Plasma etching, texturing, and passivation of silicon solar cells

Ruby, Douglas S.

The authors improved a self-aligned emitter etchback technique that requires only a single emitter diffusion and no alignments to form self-aligned, patterned-emitter profiles. Standard commercial screen-printed gridlines mask a plasma-etchback of the emitter. A subsequent PECVD-nitride deposition provides good surface and bulk passivation and an antireflection coating. The authors used full-size multicrystalline silicon (mc-Si) cells processed in a commercial production line and performed a statistically designed multiparameter experiment to optimize the use of a hydrogenation treatment to increase performance. They obtained an improvement of almost a full percentage point in cell efficiency when the self-aligned emitter etchback was combined with an optimized 3-step PECVD-nitride surface passivation and hydrogenation treatment. They also investigated the inclusion of a plasma-etching process that results in a low-reflectance, textured surface on multicrystalline silicon cells. Preliminary results indicate reflectance can be significantly reduced without etching away the emitter diffusion.

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DSMC Simulation of thermal transpiration and accomodation pumps

Hudson, M.L.

The Direct Simulation Monte Carlo (DSMC) technique is employed to evaluate several configurations of thermal transpiration and accommodation pumps. There is renewed interest in these rarefied flow pumping concepts for Micro-Electro-Mechanical Systems (MEMS) due to advances in micro-fabrication. The simulation results are compared with existing data to understand gas-surface interaction uncertainties in the experiments. Parametric studies are performed to determine the effects of Knudsen number and surface temperature and roughness on the maximum pump pressure ratio.

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Swarms of UAVs and fighter aircraft

Wagner, John S.

This paper describes a method of modeling swarms of UAVs and/or fighter aircraft using particle simulation concepts. Recent investigations into the use of genetic algorithms to design neural networks for the control of autonomous vehicles (i.e., robots) led to the examination of methods of simulating large collections of robots. This paper describes the successful implementation of a model of swarm dynamics using particle simulation concepts. Several examples of the complex behaviors achieved in a target/interceptor scenario are presented.

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A Monte Carlo model of Zener pinning which shows f{sup {minus}1} dependence

Miodownik, M.

A novel Monte Carlo (MC) model of Zener pinning has been developed. It differs from previous MC models in that it does not simulate polycrystalline grain growth. Instead a single boundary moving through an array of particles is simulated. The boundary curvature defines the driving force acting on the boundary; this is constant throughout the simulation. By incrementally increasing the volume fraction of particles, the pinning force is gradually increased. The boundary is eventually pinned when driving force equals the pinning force. This defines the Zener criterion and enables the volume fraction dependence of the model to be determined. The value of this approach is that there is no limit imposed on either the volume fraction of particles or their size. Simulations have been carried out over a range of volume fractions, from 0 < f < 0.25 for particles with volumes of 27 sites. The pinning force exerted by particles on a boundary is related to the characteristic shape during bypass, the so called dimple. When the simulation temperature is T{prime} = 0, dimples are not formed, the boundaries experience an artificially strong pinning force and the model exhibits an f{sup {minus}1/2} dependence. When T{prime} is greater than a critical value dimples are formed and the model shows an f{sup {minus}1} volume fraction dependence. The implications of this result for previously MC models of Zener pinning is discussed.

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A robust line search for learning control

Driessen, B.J.; Kwok, K.S.; Sadegh, N.

In this paper a new line search for a Newton Rhapson learning control algorithm is presented. Theorems and rigorous proofs of its increased robustness over existing line searches are provided, and numerical examples are used to further validate the theorems. Also, the previously posed open question of whether robust optimal trajectory learning is possible is also addressed. It is shown that the answer is generally no, at least for gradient-based learning control algorithms.

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Configuration space representation for micro-mechanism function

Allen, James J.

This paper describes the configuration space representation of mechanical function and shows how it supports the design of micro-mechanisms. The domain characteristics of curved geometry, joint play, and custom joints render traditional design tools inappropriate, but configuration spaces can model these characteristics. They represent the quantitative and the qualitative aspects of kinematic function in a concise geometric format that helps designers visualize system function under a range of operating conditions, find and correct design flaws, study joint play, and optimize performance. The approach is demonstrated on a surface micromachined counter meshing gear discrimination device developed at Sandia National Laboratories.

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3D finite-difference seismic migration with parallel computers

Ober, Curtis C.

The ability to image complex geologies such as salt domes in the Gulf of Mexico and thrusts in mountainous regions is essential for reducing the risk associated with oil exploration. Imaging these structures, however, is computationally expensive as datasets can be terabytes in size. Traditional ray-tracing migration methods cannot handle complex velocity variations commonly found near such salt structures. Instead the authors use the full 3D acoustic wave equation, discretized via a finite difference algorithm. They reduce the cost of solving the apraxial wave equation by a number of numerical techniques including the method of fractional steps and pipelining the tridiagonal solves. The imaging code, Salvo, uses both frequency parallelism (generally 90% efficient) and spatial parallelism (65% efficient). Salvo has been tested on synthetic and real data and produces clear images of the subsurface even beneath complicated salt structures.

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Electrochemical Evaluation of Pyrite Films Prepared by Plasma Spraying

Guidotti, Ronald A.

Thermally activated batteries use electrodes that are typically fabricated by cold pressing of powder. In the LiSi/FeS2 system, natural (mineral) pyrite is used for the cathode. In an effort to increase the energy density and specific energy of these batteries, flame and plasma spraying to form thin films of pyrite cathodes were evaluated. The films were deposited on a 304 stainless steel substrate (current collector) and were characterized by scanning electron microscopy and x-ray dlfllaction. The films were electrochemically tested in single cells at 5000C and the petiormance compared to that of standard cells made with cold-pressed powders. The best results were obtained with material deposited by de-arc plasma spraying with a proprietq additive to suppress thermal decomposion of the pyrite.

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Neural Network Modeling of the Lithium/Thionyl Chloride Battery System

O'Gorman, Chris

Battery systems have traditionally relied on extensive build and test procedures for product realization. Analytical models have been developed to diminish this reliance, but have only been partially successful in consistently predicting the performance of battery systems. The complex set of interacting physical and chemical processes within battery systems has made the development of analytical models a significant challenge. Advanced simulation tools are needed to more accurately model battery systems which will reduce the time and cost required for product realization. Sandia has initiated an advanced model-based design strategy to battery systems, beginning with the performance of lithiumhhionyl chloride cells. As an alternative approach, we have begun development of cell performance modeling using non-phenomenological models for battery systems based on artificial neural networks (ANNs). ANNs are inductive models for simulating input/output mappings with certain advantages over phenomenological models, particularly for complex systems. Among these advantages is the ability to avoid making measurements of hard to determine physical parameters or having to understand cell processes sufficiently to write mathematical functions describing their behavior. For example, ANN models are also being studied for simulating complex physical processes within the Li/SOC12 cell, such as the time and temperature dependence of the anode interracial resistance. ANNs have been shown to provide a very robust and computationally efficient simulation tool for predicting voltage and capacity output for Li/SOC12 cells under a variety of operating conditions. The ANN modeling approach should be applicable to a wide variety of battery chemistries, including rechargeable systems.

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Analysis of Hydrogen Depletion Using a Scaled Passive Autocatalytic Recombiner

Nuclear Engineering and Design Journal (NED)

Blanchat, Thomas K.

Hydrogen depletion tests of a scaled passive autocatalytic recombine (pAR) were performed in the Surtsey test vessel at Sandia National Laboratories (SNL). The experiments were used to determine the hydrogen depletion rate of a PAR in the presence of steam and also to evaluate the effect of scale (number of cartridges) on the PAR performance at both low and high hydrogen concentrations.

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The Tunnel Sealing Experiment: An In Situ Demonstration of Technologies for Vault Sealing

Tillerson, J.

Two bulkheads, one composed of high performance concrete and the other of highly compacted sand-bentonite material, have been constructed in a tunnel in unfractured granite rock at the Underground Research Laboratory. The Tunnel Sealing Experiment will characterize the performance of the two bulkheads under applied hydraulic pressures. The chamber between the two bulkheads will be pressurized to approximately 4 MPa, a value representative of the ambient pore pressures in the rock at a depth of 420 m. Instrumentation in the experiment monitors the seepage through and around each bulkhead as well as the changes tot he pure water pressure, and hence changes to the flow directions,in the intact rock. Stresses and displacements in each bulkhead are also monitored. The objective of the experiment is to demonstrate technologies for contrustion of bentonite and concrete bulkheads and to quantify the performance of each bulkhead.

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PDS/PIO: Lightweight Libraries for Collective Parallel I/O

Chen, P.; Christon, M.; Heermann, P.D.; Sturtevant, J.

PDS/PIO is a lightweight, parallel interface designed to support efficient transfers of massive, grid-based, simulation data among memory, disk, and tape subsystems. The higher-level PDS (Parallel Data Set) interface manages data with tensor and unstructured grid abstractions, while the lower-level PIO (Parallel Input/Output) interface accesses data arrays with arbitrary permutation, and provides communication and collective 1/0 operations. Higher-level data abstraction for finite element applications is provided by PXI (Parallel Exodus Interface), which supports, in parallel, functionality of Exodus 11, a finite element data model developed at Sandia National Laboratories. The entire interface is implemented in C with Fortran-callable PDS and PXI wrappers.

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A Fission-Powered Interstellar Precursor Mission

Lipinski, Ronald

An 'interstellar precursor mission' lays the groundwork for eventual interstellar exploration by studying the interstellar medium and by stretching technologies that have potential application for eventual interstellar exploration. The numerous scientific goals for such a mission include generating a 3-D stellar map of our galaxy, studying Kuiper-belt and Oort cloud objects, and observing distant objects using the sun's gravitational lens as the primary of an enormous telescope. System equations are developed for a space tug which propels a 2500-kg scientific payload to 550 astronomical units in about 20 years. The tug to transport this payload uses electric propulsion with an Isp of 15,000 seconds and a fission reactor with a closed Brayton cycle to genemte the electricity. The optimal configuration may be to thrust for only about 6 years and then coast for the remaining 14 pars. This spacecraft does not require any physics breakthroughs or major advances in technology. The fission power syslem can be engineered and built by drawing upon known technologies developed for relatgd systems over the past 40 years. The tug system would eventually reach 1000 a.u in 33 years, and would have adequate power to relay large amounts of data throughout its journey.

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A Three-Dimensional Photonic Crystal with Stop Band Between at 1.35 and 1.95 Microns

Optics Letters

Lin, Shawn-Yu

A combination of advanced silicon processing techniques were used to create three- dimensional (3D) photonic crystals with a 180 nano-meter minimum dimension. The resulting 3D crystal displays a strong stop band at optical wavelengths, L=l .35- 1.95pm. This is the smallest 3D crystal ever achieved with a complete 3D photonic band gap.

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Comment on "Indication from Pioneer 10/11, Galileo, and Ulysses Data, of an Apparent Anomalous, Weak, Long-Range Acceleration"

Physical review Letters

Humphreys, D.R.

In a recent Letter Anderson et al. report some very intriguing radio observations flom various interplanetary spaceprobes over the past 18 years. They interpret this data as an anomalous deceleration of the spaceprobes. Here I offer a different interpretation: that the anomaly is related to the cosmological red shift.

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Multi-Level Micromachined Systems-on-a-Chip: Technology and Applications

Allen, J.J.; Krygowski, T.W.; Miller, S.L.; Montague, S.; Rodgers, M.S.; Smith, J.H.; Sniegowski, J.J.

Researchers at Sandia have recently designed and built several research prototypes, which demonstrate that truly complex mechanical systems can now be realized in a surface micromachined technology. These MicroElectro- Mechanical Systems (MEMS) include advanced actuators, torque multiplying gear tmins, rack and pinion assemblies, positionable mirrors, and mechanical discriminators. All of tile mechanical components are batch fabricated on a single chip of silicon using the infrastructure origimdly developed to support today's highly reliabk; and robust microelectronics industry. Sand ia is also developing the technology 10 integrate microelectronic circuits onto the s,ime piece of silicon that is used to fabricate the MEMS devices. This significantly increases sensitivity and reliability, while fhrther reducing package size and fabrication costs. A review of the MEMS technology and capabilities available at Sandia National Laboratories is presented.

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Assessing the Security Vulnerabilities of Correctional Facilities

Spencer, D.S.

The National Institute of Justice has tasked their Satellite Facility at Sandia National Laboratories and their Southeast Regional Technology Center in Charleston, South Carolina to devise new procedures and tools for helping correctional facilities to assess their security vulnerabilities. Thus, a team is visiting selected correctional facilities and performing vulnerability assessments. A vulnerability assessment helps to identi~ the easiest paths for inmate escape, for introduction of contraband such as drugs or weapons, for unexpected intrusion fi-om outside of the facility, and for the perpetration of violent acts on other inmates and correctional employees, In addition, the vulnerability assessment helps to quantify the security risks for the facility. From these initial assessments will come better procedures for performing vulnerability assessments in general at other correctional facilities, as well as the development of tools to assist with the performance of such vulnerability assessments.

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On Practical Modifications to the Barnes-Hut Multipole Method for Electromagnetic Scattering

Driessen, B.J.; Kotulski, J.D.

This paper presents a simple methodology for quickly predicting and optimizing computer run time for the Barnes-Hut multipole method for boundary element electromagnetic scattering problems. The methodology is easily extended to other multipole methods (e.g., Greengard-Rokhlin) and to other physics. The idea is to simply COZM t the number of element-cell interactions, number of direct element- element interactions, and the number of cell multipole expansion creations (each expansion weighted by the number of elements in the cell), and then finally combine these three results with the associated unit costs to obtain the total computer :un-time to perform a single matrix-vector multiply. By counting operations instead of actually performing them, the time to predict the computer run time is orders of magnitude smaller than the time to actually perform the associated calculations. This allows for very quick optimization of parameters, such as the maximum number of elements in a final generation cell of the tree. Numerical examples are presented herein in which the rate of return (time saved over time spent finding optimal parameter values) is significantly more than two orders of magnitude.

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Ion Microbeam Studies of Cadmium Zinc Telluride Radiation Detectors by IBICC

Vizkelethy, Gyorgy

Ion Beam Induced Charge Collection (IBICC) and Time Resolved IBICC (TRIBICC) techniques were e for imaging electronic properties of Cadmium Zinc Telluride (CZT) room temperature radiation detectors. The detectors were bombarded with a scanned 5.4 MeV He microbeam and the detector response was analyzed at each point. The electron mobility (A) and Metime (z.), and charge collection efficiency maps were calculated from the data. In order to determine the radiation damage to the detectors, the signal deteriomtion was measured as the function of dose.

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The Design Process of Physical Security as Applied to a U.S. Border Point of Entry

Wagner, George G.

This paper describes the design process of physical security as applied to a U.S. Border Port of Entry (PoE). Included in this paper are descriptions of the elements that compose U.S. border security. The physical security design will describe the various elements that make up the process as well as the considerations that must be taken into account when dealing with system integration of those elements. The distinctions between preventing unlawful entry and exit of illegal contraband will be emphasized.

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Sandia Multispectral Airborne Lidar for UAV Deployment

Daniels, J.W.; Henson, T.D.; Jordan, J.D.; Lang, A.R.; Schmitt, R.L.

Sandia National Laboratories has initiated the development of an airborne system for W laser remote sensing measurements. System applications include the detection of effluents associated with the proliferation of weapons of mass destruction and the detection of biological weapon aerosols. This paper discusses the status of the conceptual design development and plans for both the airborne payload (pointing and tracking, laser transmitter, and telescope receiver) and the Altus unmanned aerospace vehicle platform. Hardware design constraints necessary to maintain system weight, power, and volume limitations of the flight platform are identified.

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Generating High-Brightness Light Ion Beams for Inertial Fusion Energy

Cuneo, Michael E.

Light ion beams may be the best option for an Inertial Fusion Energy (IFE) driver from the standpoint of ei%ciency, standoff, rep-rate operation and cost. This approach uses high-energy-density pulsed power to efficiently accelerate ions in one or two stages at fields of 0.5 to 1.0 GV/m to produce a medium energy (30 MeV), high-current (1 MA) beam of light ions, such as lithium. Ion beams provide the ability for medium distance transport (4 m) of the ions to the target, and standofl of the driver from high- yield implosions. Rep-rate operation of' high current ion sources has ako been demonstrated for industrial applications and couId be applied to IFE. Although (hese factors make light ions the best Iong-teml pulsed- power approach to IFE, light-ion research is being suspended this year in favor of a Z-pinch-driven approach which has the best opport lnity to most-rapidly achieve the U.S. Department of Energy sponsor's goal of high-yield fusion. This paper will summarize the status and most recent results of the light-ion beam program at Sandia National Laboratories (SNL), and document the prospects of light ions for future IFE driver development.

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Numerical Models of Broad-Bandwidth Nanosecond Optical Parametric Oscillators

Journal of Optical Society of America Part B

Smith, Arlee V.

We present three new methods for modeling broad-bandwidth, nanosecond optitcal parametric oscillators in the plane-wave approximation. Each accounts for the group-velocity differences that determine the operating linewidth of unseeded optical parametric oscillators, and each allows the signal and idler waves to develop from quantum noise. The first two methods are based on split-step integration methods in which nonlinear mixing and propagation are calculated separately on alternate steps. One method relies on Fourier transforming handle propagation, wiih mixing integrated over a the fields between t and u to Az step: the other transforms between z and k= in the propagation step, with mixing integrated over At. The third method is based on expansion of the three optical fields in terms of their respective longitudinal empty cavity modes, taking into account the cavity boundary condi- tions. Equations describing the time development of the mode amplitudes are solved to yield the time dependence of the three output fields. These plane-wave models exclude diffractive effects, but can be readily extended to include them.

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Modal Parameter Extraction Using Natural Excitation Response Data

Barney, Patrick S.

The use of natural excitation response data for the extraction of modal parameters has been an alluring idea for many years, The primary reason is that it offers the real world inputs (both spatial and temporal) and the associated responses of the system without the cost of a complex excitation system. The use of NExT allows for a linear representation of the system at operating levels, which is ideal for predictive linear simulation. The NExT parameter estimation methods have relied on using standard modal parameter extraction routines that do not exploit the special model form of NExT data. A parameter estimation method is developed here that is consistent with the form, thereby providing a more robust estimator in the presence of noise. This paper presents the basic methods used in NExT as well as some of the critical issues when using NExT.

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The SMAC Modal Parameter Extraction Package

Mayes, Randall L.

After the basic theory for SMAC is presented below, two applications of the algorithm with real hardware will be presented. The first moderate-damping application is a system with approximately 50 modes in the bandwidth with up to 5 percent damping. The second application has at least 70 modes in the bandwidth, but damping is always below 3 percent. In addition to the improved implementation of the SMAC root finder, coding has been written to extract the mode shapes based on quadrature fit, and this is described herein.

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Laboratory Simulation of Response to a Distributed Pressure Load

Simmermacher, Todd W.

Responses to a distributed pressure load are typically predicted through the use of a finite-element model. This procedure depends on the model to represent the actual structure accurately. Another technique that is developed in this work is to predict the response based upon an experi- mentally derived model. This model consists of frequency response functions. The pressure distribution is assumed to be known. In this work, the pressure load will be a blast load. The focus of this work will be to simulate a harsh, shock-like environment. Data from a reverse Hopkinson bar (RHB) test is used to generate the response to a symmetric, distributed load. The reverse Hopkinson bar generates a high ampli- tude, high frequency content pulse that excites components at near-blast levels. The frequency response functions gen- erated from 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. This result can then be used with a model correlation technique to adjust a finite element model such that data from a true blast test can be used to only fine tune the model. This work details the estimation response due to the blast.

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Simulations of the Penetration of 6061-T6511 Aluminum Targets by Spherical-Nosed VAR 4340 Steel Projectiles

International Journal of Solids and Structures

Warren, Thomas L.

In certain penetration events it is proposed that the primary mode of deformation of the target can be approximated by known analytical expressions. In the context of an analysis code, this approximation eliminates the need for discretizing the target as well as the need for a contact algorithm. Thus, this method substantially reduces the computer time and memory requirements. In this paper a forcing function which is derived from a spherical-cavity expansion (SCE) analysis has been implemented in a transient dynamic finite element code. This irnplementation is capable of computing the structural and component responses of a projectile due to a three dimensional penetration event. Simulations are presented for 7.1 l-mm-diameter, 74.7-mm-long, spherical-nose, vacuum- arc-remelted (VAR) 4340 steel projectiles that penetrate 6061-T6511 aluminum targets. Final projectile configurations obtained from the simulations are compared with post-test radiographs obtained from the corresponding experiments. It is shown that the simulations accurately predict the permanent projectile deformation for three dimensional loadings due to incident pitch and yaw over a wide range of striking velocities.

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Using DFX for Algorithm Evaluation

Beiriger, Judy I.

Evaluating whether or not a new seismic processing algorithm can improve the performance of the operational system can be problematic: it maybe difficult to isolate the comparable piece of the operational system it maybe necessary to duplicate ancillary timctions; and comparing results to the tuned, full-featured operational system maybe an unsat- isfactory basis on which to draw conclusions. Algorithm development and evaluation in an environment that more closely resembles the operational system can be achieved by integrating the algorithm with the custom user library of the Detection and Feature Extraction (DFX) code, developed by Science Applications kternational Corporation. This integration gives the seismic researcher access to all of the functionality of DFX, such as database access, waveform quality control, and station-specific tuning, and provides a more meaningfid basis for evaluation. The goal of this effort is to make the DFX environment more accessible to seismic researchers for algorithm evalua- tion. Typically, anew algorithm will be developed as a C-language progmm with an ASCII test parameter file. The integration process should allow the researcher to focus on the new algorithm developmen~ with minimum attention to integration issues. Customizing DFX, however, requires soflsvare engineering expertise, knowledge of the Scheme and C programming languages, and familiarity with the DFX source code. We use a C-language spatial coherence processing algorithm with a parameter and recipe file to develop a general process for integrating and evaluating a new algorithm in the DFX environment. To aid in configuring and managing the DFX environment, we develop a simple parameter management tool. We also identifi and examine capabilities that could simplify the process further, thus reducing the barriers facing researchers in using DFX..These capabilities include additional parameter manage- ment features, a Scheme-language template for algorithm testing, a generic algorithm interface encompassing expected DFX functionality and algorithm input and output, and the aggregation of some DFX I?imctionality to sim- plify the interface.

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The DOE Model for Improving Seismic Event Locations Using Travel Time Corrections: Description and Demonstration

Hipp, James R.

The U.S. National Laboratories, under the auspices of the Department of Energy, have been tasked with improv- ing the capability of the United States National Data Center (USNDC) to monitor compliance with the Comprehen- sive Test Ban Trea~ (CTBT). One of the most important services which the USNDC must provide is to locate suspicious events, preferably as accurately as possible to help identify their origin and to insure the success of on-site inspections if they are deemed necessary. The seismic location algorithm used by the USNDC has the capability to generate accurate locations by applying geographically dependent travel time corrections, but to date, none of the means, proposed for generating and representing these corrections has proven to be entirely satisfactory. In this presentation, we detail the complete DOE model for how regional calibration travel time information gathered by the National Labs will be used to improve event locations and provide more realistic location error esti- mates. We begin with residual data and error estimates from ground truth events. Our model consists of three parts: data processing, data storage, and data retrieval. The former two are effectively one-time processes, executed in advance before the system is made operational. The last step is required every time an accurate event location is needed. Data processing involves applying non-stationary Bayesian kriging to the residwd data to densifi them, and iterating to find the optimal tessellation representation for the fast interpolation in the data retrieval task. Both the kriging and the iterative re-tessellation are slow, computationally-expensive processes but this is acceptable because they are performed off-line, before any events are to be located. In the data storage task, the densified data set is stored in a database and spatially indexed. Spatial indexing improves the access efficiency of the geographically-ori- ented data requests associated with event location. Finally, in the Data Retrieval phase, when an accurate location is needed, the densified data is retrieved and a quick interpolation is performed using natural neighbor interpolation with a gradient slope modification to guarantee continuous derivatives. To test our model, we use the residuals from a large set of synthetic events (441) that were created to have travel times consistent with the IASP91 radial base model plus perturbations of up to 2 seconds taken from spherical har- monic surfaces with randomly generated coefficients. Relocating these events using 3 stations with poor azimuthal coverage and IASP91 travel times alone yields dislocations of up 278 km with a mean value of 58 km. Using our model to apply travel time corrections we reduce the hugest dislocation to 151 km and the mean value to 13 km. Fur- ther, the error ellipses generated now accurately reflect the uncertainly associated with the composite model (base model + corrections), and as a result are small for events occurring near ground truth event points and large for events occurring where no calibration data is available.

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The DOE Knowledge Base Mthodology for the Creation of an Optimal Spatial Tessellation

Hipp, James R.

The DOE Knowledge Base is a library of detailed information whose purpose is to improve the capability of the United States National Data Center (USNDC) to monitor compliance with the Comprehensive Test Ban Treaty (CTBT). Much of the data contained by the Knowledge Base is spatial in nature, and some of it is used to improve the accuracy with which seismic locations are determined while maintaining or improving current calculational perfor- mance. In this presentation, we define and describe the methodology used to create spatial tessellations of seismic data which are utilized with a gradient-modified natural-neighbor interpolation method to evaluate travel-time corrections. The goal is to interpolate a specified correction surface, or a group of them, with prescribed accuracy and surface smoothness requirements, while minimizing the number of data points necessary to represent the surface. Maintain- ing accuracy is crucial toward improving the precision of seismic origin location. Minimizing the number of nodes in the tessellation improves calculational and data access efficiency and performance. The process requires two initialization steps and an iterated 7 step algorithm for inserting new tessellation nodes. First, M residual data from ground truth events are included in the tessellation. These data remain fixed throughout the creation of the triangular tessellation. Next, a coarse grid of nodes is laid over the region to be tessellated. The coarse grid is necessary to define the boundary of the region to be tessellated. Next the 7 step iterated algorithm is performed to add new nodes to the tessellation to ensure that accuracy and smoothness requirements are met. These steps include 1) all data points in the tessellation are linked together to form a triangular tessellation using p standard Delaunay tessellation technique; 2) all of the data points, excluding the original data and boundruy nodes, are smoothed using a length-weighted Laplacian smoother to remove poorly formed triangles; 3) all new data points are assigned corrections by performing a Non-stationary Bayesian Kriging calculation for each new triangle node; 4) all nodes that exceed surface roughness requirements are split by inserting a new node at the mid-points of the edges that share the rough nod% 5) all remaining triangle edge midpoints and centers are inte~olated using gradient-modified natural-neighbor interpolation and kriged using the Bayesian IGiging algoritlm 6) new nodes are inserted into the tessellation at all edge and triangle mid-points that exceed the specified relative error tolerance between the interpo- lated and Iaiged values, and 7) all new insertion nodes are added to the tessellations node list. Steps 1 through 7 are repeated until all relative error and surface smoothness requirements are satisfied. Results indicate that node densities in the tessellation are largest in regions of high surface curvature as expected. Generally, gradient modified natural-neighbor interpolation methods do a better job than linear natural-neighbor methods at meeting accuracy requirements which translates to fewer nodes necessary to represent the surface.

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Using the DOE Knowledge Base for Special Event Analysis

Armstrong, H.M.; Harris, J.M.; Young, C.J.

The DOE Knowledge Base is a library of detailed information whose purpose is to support the United States National Data Center (USNDC) in its mission to monitor compliance with the Comprehensive Test Ban Treaty (CTBT). One of the important tasks which the USNDC must accomplish is to periodically perform detailed analysis of events of high interest, so-called "Special Events", to provide the national authority with information needed to make policy decisions. In this paper we investigate some possible uses of the Knowledge Base for Special Event Analysis (SEA), and make recommendations for improving Knowledge Base support for SEA. To analyze an event in detail, there are two basic types of data which must be used sensor-derived data (wave- forms, arrivals, events, etc.) and regiohalized contextual data (known sources, geological characteristics, etc.). Cur- rently there is no single package which can provide full access to both types of data, so for our study we use a separate package for each MatSeis, the Sandia Labs-developed MATLAB-based seismic analysis package, for wave- form data analysis, and ArcView, an ESRI product, for contextual data analysis. Both packages are well-suited to pro- totyping because they provide a rich set of currently available functionality and yet are also flexible and easily extensible, . Using these tools and Phase I Knowledge Base data sets, we show how the Knowledge Base can improve both the speed and the quality of SEA. Empirically-derived interpolated correction information can be accessed to improve both location estimates and associated error estimates. This information can in turn be used to identi~ any known nearby sources (e.g. mines, volcanos), which may then trigger specialized processing of the sensor data. Based on the location estimate, preferred magnitude formulas and discriminants can be retrieved, and any known blockages can be identified to prevent miscalculations. Relevant historic events can be identilled either by spatial proximity searches or through waveform correlation processing. The locations and waveforms of these events can then be made available for side-by-side comparison and processing. If synthetic modeling is thought to be warranted, a wide variety of rele- vant contextu~l information (e.g. crustal thickness and layering, seismic velocities, attenuation factors) can be retrieved and sent to the appropriate applications. Once formedj the synthetics can then be brought in for side-by-side comparison and fhrther processing. Based on our study, we make two general recommendations. First, proper inter-process communication between sensor data analysis software and contextual data analysis sofisvare should be developed. Second, some of the Knowl- edge Base data sets should be prioritized or winnowed to streamline comparison with observed quantities.

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Development to Release of CTBT Knowledge Base Datasets

Keyser, Ralph G.

For the CTBT Knowledge Base to be useful as a tool for improving U.S. monitoring capabilities, the contents of the Knowledge Base must be subjected to a well-defined set of procedures to ensure integrity and relevance of the con- stituent datasets. This paper proposes a possible set of procedures for datasets that are delivered to Sandia National Laboratories (SNL) for inclusion in the Knowledge Base. The proposed procedures include defining preliminary acceptance criteria, performing verification and validation activities, and subjecting the datasets to approvrd by domain experts. Preliminary acceptance criteria include receipt of the data, its metadata, and a proposal for its usability for U.S. National Data Center operations. Verification activi- ties establish the correctness and completeness of the data, while validation activities establish the relevance of the data to its proposed use. Results from these activities are presented to domain experts, such as analysts and peers for final approval of the datasets for release to the Knowledge Base. Formats and functionality will vary across datasets, so the procedures proposed herein define an overall plan for establishing integrity and relevance of the dataset. Specific procedures for verification, validation, and approval will be defined for each dataset, or for each type of dataset, as appropriate. Potential dataset sources including Los Alamos National Laboratories and Lawrence Livermore National Laborato- ries have contributed significantly to the development of thk process.

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FAA Fluorescent Penetrant Activities - An Update

Moore, D.G.

The Federal Aviation Administration's Airworthiness Assurance NDI Validation Center (AANC) is currently characterizing low cycle fatigue specimens that will support the needs of penetrant manufacturers, commercial airline industry and the Federal Aviation Administration. The main focus of this characterization is to maintain and enhance the evaluation of penetrant inspection materials and apply resources to support the aircraft community needs. This paper discusses efforts to-date to document the Wright Laboratory penetrant evaluation process and characterize penetrant brightness readings in the initial set of sample calibration panels using Type 1 penetrant.

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Remediation of a Classified Waste Landfill at Sandia National Laboratories, NM

Ward, Dann C.

The Sandia National Laboratory es/New Mexico (SNLiNM) Environmental Restoration Project is currently excavating the Classified Waste Landfill in Technical Area II (TA-H), which consists of disposal pits and trenches with discrete disposal cells. TA-11 is a secure, controlled assess, research facility managed by SNIJNM for the US Department of Energy (DOE). The 45-acre facility was established in 1948 for the assembly and maintenance of nuclear weapons. The assembly of weapons was discontinued in 1954. Since that time, TA-11 has been used primarily for explosive research and testing. Beginning is 1984, the DOE Er,vironmental Restoration Program conducted several environmental investigations across TA-11 and SNMNM. These investigations identified sites requiring firther study and possible corrective action. The majority of these sites were grouped into operable units (OUS). The TA-11 OU included 13 sites, one of which is identified as the Classified Waste Landfill (CWLF). The CWLF covers about 2.5 acres and was operated from approximately 1947 through 1987. It was the site for disposal of classified weapon components, s ome of which are potentially explosive, hazardous, ardor radioactively contarninatod. Until about 1958, no records were maintained for material disposed of in the CWLF. Information on the CWLF has been assembled horn interview notes, delivery to reckmation records and other sources. Items disposed of included security containers, hoppers, skids, missiles, wooden boxes, deactivated heat sources, tntium boosters, scintillation cocktails, weapons cases, shells, lasers, radar equipment and accountable mata-ials. Potential contaminants include tritium, thorium, cesium-137, strontium-90, uraniun, plutonium, beryllium, cadmium, lithium, chloroform, toluene, benzene ad other solvents.

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Effects of Spatially Heterogeneous Porosity on Matrix-Diffusion as Investigated by X ray Absorption Imaging

Journal of Contaminate Hydrology

Tidwell, Vincent C.

Laboratory experiments were performed to investigate the effects of spatial variation in porosity on matrix-diffusion processes. Four centimeter-scale slabs of Culebra dolomite taken from the Waste Isolation Pilot Plant site were used in the tests. Experiments involved the simple diffusion of iodine into a single edge of each rock slab while X ray absorption imaging was used to measure the resulting two-dmensional solute concentration field as a function of time. X ray imaging was also used to quantify the two-dimensional porosity field of each rock slab. Image analysis provided a unique opportunity to both visuake and quantifj the effects of the spatially variable porosi~ on matrixdMusion. Four key results were obtained. First, significant variation in rates of diffusion were realized over the relatively small length (centimeter) and time scales (months) investigated. Second, clear evidence of diffusion preferentially following zones of relatively higher porosity was noted. Third, rate of difhion was found to vary as tracer diffused into the rock slabs encountering changing porosity conditions. Fourth, strong correlation between porosi~ and the calculated diffusion coefficients was found. In fact, the nature of the correlation can be related to the geometry, position, and orientation of the heterogeneous porosity features populating each rock slab.

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Self-Organized Growth of Alloy Superlattices

Nature

Floro, Jerrold A.

We predict theoretically and demonstrate experimentally the spontaneous formation of a superlattice during crystal growth. When a strained alloy grows by "step flow", the steps at the surface form periodic bunches. The resulting modulated strain biases the incorporation of the respective alloy components at different steps in the bunch, leading to the formation of a superlattice. X-ray diffraction and electron microscopy for SiGe grown on Si give clear evidence for such spontaneous superlattice formation.

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Conformational Diversity in (Octaethylporphinato) (trichloroacetato)iron(III) Derivatives

Inorganic Chemistry Acta

Shelnutt, John A.

Treatment of [Fe(OEP)]20 with trichloroacetic acid results in ruffled formation of (octaethylporphinato trichloroacetato)iron(HI). Various crystalline solvates can be isolated, depending on the crystallization solvent. Initial crystallization with CHC13/hexanes resulted in the isolation of an unsolvated form. [Fe(OEP)(02C2C13 )]. This form contains distinct porphyrin core conformations at the same site: one is domed and the other is ruffled. Crystal data for [Fe(OEP)(02C2C13 )]: Q = 14.734(4) .4. b = 13.674(1) .\. c = 17..541 [,.5] .~. 3 = 90.67(1)0, V = 35-!5.8(14) .\3. monoclinic. space group R1/ n. Z = 4. Subsequent crystallization with CHC13/hexanes resulted in a new crystalline form, [Fe(OEP)(OzC2C13 )~.- CHC13; the porphyrin core is slightly ruffled. Crystal data for [Fe(OEP)(OoC2C13 )]. CHC13: a =12.323(1) .~, 6 = 13.062(3) .\. C = 14.327(2) .$, Q = 89.32(1)", .3 = 113.36(2)0. :~ = 105.26(1)'. V = `2031.3(6) .\3. triclinic. space group Pi. Z = 2. Crystallization with CH2C12/hexanes resulted in the isolation of yet another form, [Fe(OEP) (02 C2C13)]. H02C2C13. which contains two independent molecules in the unit cell: molecule is slightly saddled and molecule B is modestly ruffled. Crystal data for [Fe(OEP)(02ClC13 )]. H02C2C13: a = 13.148(3) .\, b = 13.45.5(3) A, c = Q3.761(5) -& ~ = 90.72(3)", ~ = 91. ~4(3)". -y = 92.36(3)0, V = 4198.5(15) .\3, triclinic.space group PI, Z = 4. .+11 conformations form dimers in the solid state. Temperature-dependent manometic susceptibility measurements showed that [Fe(OEP)(02C2C13)] .CHC13 contains a high-spin iron(III) center; the data for {Fe(OEP)(02C2C13 )l.H02C2C13 are understood in terms of an admixed intermediate-spin state (S = 3/2, 5/2) and are readily fit to a faltempo model with a ground state multiplet containing about 78% S = 5/2 character and 22% S = 3/2 character. The structural data for [Fe(OEP)(02C2C13 )]. CHC13 are consistent with the observed high-spin state, while data for ~Fe(OEP) (02 C2C13)] .H02C2C13 are consistent with the admixed-spin iron(HI) character. The observed core conformations have been described by a normal-coordinate structural decomposition method.

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Unipolar Complementary Circuits Using Double Electron Layer Tunneling Tansistors

Applied Physics Letters

Simmons, Jerry A.

We demonstrate unipolar complementary circuits consisting of a pair of resonant tunneling transistors based on the gate control of 2D-2D interlayer tunneling, where a single transistor - in addition to exhibiting a welldefined negative-differential-resistance can be operated with either positive or negative transconductance. Details of the device operation are analyzed in terms of the quantum capacitance effect and band-bending in a double quantum well structure, and show good agreement with experiment. Application of resonant tunneling complementary logic is discussed by demonstrating complementary static random access memory using two devices connected in series.

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Evolution of 2D Potts Model Grain Microstructures from an Initial Hillert Size Distribution

Battaile, Corbett C.

Grain growth experiments and simulations exhibit self-similar grain size distributions quite different from that derived via a mean field approach by Hillert [ 1]. To test whether this discrepancy is due to insufficient anneal times, two different two-dimensional grain structures with realistic topologies and Hillert grain size distributions are generated and subjected to grain growth via the Monte Carlo Potts Model (MCPM). In both cases, the observed self-similar grain size distributions deviate from the initial Hillert form and conform instead to that observed in MCPM grain growth simulations that start from a random microstructure. This suggests that the Hillert grain size distribution is not an attractor.

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An Overview of HATS: A Language Independent High Assurance Transformation System

Winter, V.L.

Transformations that are based on syntax directed rewriting systems can have a significant impact on the construction of high assurance systems. However, in order for a transformational approach to be useful to a particular problem domain, a (general) transformation system must be adapted to the notation of that particular domain. A transformation system that can be easily adapted to various domain notations has the potential of having a wide range of applicability. In this paper we dissus why transforrmtion is attractive horn a high assurance perspective, as well as some issues surrounding automated transformation within specific problem domains. We then give an overview of a language independent High Assurance Transformation System (HATS) that is being developed at Sandia National Laboratories.

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Validation of Electrical-Impedance Tomography for Measurements of Material Distribution in Two-Phase Flows

International Journal of Multiphase Flow

Torczynski, John R.

A series of studies is presented in which an electrical-impedance tomography (EXT) system is validated for two-phase flow measurements. The EIT system, developed at Sandia National Laboratories, is described along with the computer algorithm used for reconstructing phase volume fraction profiles. The algorithm is first tested using numerical data and experimental phantom measurements, with good results. The EIT system is then applied to solid-liquid and gas-liquid flows, and results are compared to an established gamma-densitometry tomography (GDT) system. In the solid-liquid flows, the average solid volume fractions measured by EIT are in good agreement with nominal values; in the gas-liquid flows, average gas volume fractions and radial gas volume fraction profiles from GDT and EIT are also in good agreement.

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Use of Dissolved and Colloidal Actinide Parameters within the 1996 Waste Isolation Pilot Plant Compliance Certification Application

Stockman, Christine T.

Many of the papers in this volume present detailed descriptions of the chemical analyses and methodologies that have been used to evaluate the maximum dissolved and colloid concentrations of actinides within the WIPP repository as part of the performance assessment. This paper describes the program fcm collecting experimental data and provides an overview of how the PA modeled the release of radionuclides to the accessible environment, and how volubility and colloid parameters were used by the PA models.

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Experimental Demonstration of Guiding and Bending of Electromagnetic Waves in a Photonic Crystal

Science

Lin, Shawn-Yu

The routing and interconnection of optical signals through narrow channels and around sharp corners is important for large-scale all-optical circuit applications. A recent computational result suggests that photonic crystals may offer a novel way of achieving this goal by providing a mechanism for guiding light that is fundamentally different from traditional index guiding. Waveguiding in a photonic crystal, and near 100% transmission of electromagnetic waves around sharp 90o corners were observed experimentally. Bend- ing radii were made smaller than one wavelength.

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An Overview of Surface Finishes and Their Role in Printed Circuit Board Solderability and Solder Joint Performance

Circuit World

Vianco, Paul T.

A overview has been presented on the topic of alternative surface finishes for package I/Os and circuit board features. Aspects of processability and solder joint reliability were described for the following coatings: baseline hot-dipped, plated, and plated-and-fused 100Sn and Sn-Pb coatings; Ni/Au; Pd, Ni/Pd, and Ni/Pd/Au finishes; and the recently marketed immersion Ag coatings. The Ni/Au coatings appear to provide the all-around best option in terms of solderability protection and wire bondability. Nickel/Pal ftishes offer a slightly reduced level of performance in these areas that is most likely due to variable Pd surface conditions. It is necessmy to minimize dissolved Au or Pd contents in the solder material to prevent solder joint embrittlement. Ancillary aspects that included thickness measurement techniques; the importance of finish compatibility with conformal coatings and conductive adhesives; and the need for alternative finishes for the processing of non-Pb bearing solders were discussed.

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Low-(18)O Silicic Magmas: Why Are They So Rare?

Earth and Planetary Science Letters

Balsley, Steven D.

LOW-180 silicic magmas are reported from only a small number of localities (e.g., Yellowstone and Iceland), yet petrologic evidence points to upper crustal assimilation coupled with fractional crystallization (AFC) during magma genesis for nearly all silicic magmas. The rarity of 10W-l `O magmas in intracontinental caldera settings is remarkable given the evidence of intense 10W-l*O meteoric hydrothermal alteration in the subvolcanic remnants of larger caldera systems. In the Platoro caldera complex, regional ignimbrites (150-1000 km3) have plagioclase 6180 values of 6.8 + 0.1%., whereas the Middle Tuff, a small-volume (est. 50-100 km3) post-caldera collapse pyroclastic sequence, has plagioclase 8]80 values between 5.5 and 6.8%o. On average, the plagioclase phenocrysts from the Middle Tuff are depleted by only 0.3%0 relative to those in the regional tuffs. At Yellowstone, small-volume post-caldera collapse intracaldera rhyolites are up to 5.5%o depleted relative to the regional ignimbrites. Two important differences between the Middle Tuff and the Yellowstone 10W-180 rhyolites elucidate the problem. Middle Tuff magmas reached water saturation and erupted explosively, whereas most of the 10W-l 80 Yellowstone rhyolites erupted effusively as domes or flows, and are nearly devoid of hydrous phenocrysts. Comparing the two eruptive types indicates that assimilation of 10W-180 material, combined with fractional crystallization, drives silicic melts to water oversaturation. Water saturated magmas either erupt explosively or quench as subsurface porphyrins bejiire the magmatic 180 can be dramatically lowered. Partial melting of low- 180 subvolcanic rocks by near-anhydrous magmas at Yellowstone produced small- volume, 10W-180 magmas directly, thereby circumventing the water saturation barrier encountered through normal AFC processes.

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Multispectral UV Fluorescence Detection of a Dilute Constituent in an Optically Dense Matrix

Applied Optics

Chan, O.H.; Rubenstein, R.; Tisone, G.C.; Wagner, J.S.

Multispectral UV fluorescence measurements were made of an optically dense medium (fetal bovine serum, FBS) spiked with sodium salicylate at concentrate ions from 0.2 to 500 pg/ml . Analysis of the spectra show that, depending on experimental conditions, reasonably good estimates of concentration can be obtained across the entire range of concentrate ions. Experimental conditions required for recovering these estimates are demonstrated.

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Predictable Safety in the Control of High Consequence Systems

Covan, John M.

Many industries transmit large amounts of energy under the control of safety critical systems, inadvertent release of energy by such systems can result in negative high consequences. Thirpaper describes aprincipie-ba.re dstrategyfor preventing inadvertent release due [O normai operational stresses or abnormal (e.g., accident) stresses. The sajetyprin- ciples, deveioped by Sandia )?a~ional Laboratories for im- bedding detonation safety in nuclear weapons, include iso- [atio~ inoperabilip and incompatibility. There principles will be defined in the paper. They are illustrated and con- trasted to conventionalpractice via the application to a gas jiunace control system.

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Use of Z-Pinch Sources for High-Pressure Equation-of-State Studies

Asay, J.R.

In this paper, we describe a new technique for using a pulsed power source (Z pinch) to produce planar shock waves for high-pressure equation of state (EOS) studies. Initial EOS experiments conducted with techniques indicate that these sources are effective for shock wave studies in samples with diameters of a few millimeters and thicknesses of a fraction of one millimeter, and thus provide the possibility for achieving accuracy in shock and particle velocity measurements of a few percent. We have used the Z pinch source to produce the first in-situ time-resolve particle velocity profiles obtained with pulsed radiation sources in the Mbar regime. Particle velocity profiles obtained with a VISAR interferometer are compared with I-D numerical simulations performed with a radiation-hydrodynamics code, ALEGRA. Good agreement with experimental results was achieved in the simulations and suggests that Z pinch source should be a valuable tool for high-pressure EOS studies in thermodynamic regimes important to hypervelocity impact.

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Remote Optical Imagery of Obscured Objects in Low-Visibility Environments Using Parametric Amplification

Cameron, Stewart M.

The development of unconventional active optical sensors to remotely detect and spatially resolve suspected threats obscured by low-visibility observation conditions (adverse weather, clouds, dust, smoke, precipitation, etc.) is fundamental to maintaining tactical supremacy in the battlespace. In this report, the authors describe an innovative frequency-agile image intensifier technology based on time-gated optical parametic amplification (OPA) for enhanced light-based remote sensing through pervasive scattering and/or turbulent environments. Improved dynamic range characteristics derived from the amplified passband of the OPA receiver combined with temporal discrimination in the image capture process will offset radiant power extinction losses, while defeating the deugradative effects & multipath dispersion and ,diffuse backscatter noise along the line-of-sight on resultant image contrast and range resolution. Our approach extends the operational utility of the detection channel in existing laser radar systems by increasing sensitivity to low-level target reffectivities, adding ballistic rejection of scatter and clutter in the range coordinate, and introducing multispectral and polarization discrimination capability in a wavelen~h-tunable, high gain nonlinear optical component with strong potential for source miniaturization. A key advantage of integrating amplification and tlequency up-conversion functions within a phasematched three-wave mixing parametric device is the ability to petiorm background-free imaging with eye-safe or longer inilared illumination wavelengths (idler) less susceptible to scatter without sacrificing quantum efficiency in the detection process at the corresponding signal wavelength. We report benchmark laboratory experiments in which the OPA gating process has been successfidly demonstrated in both transillumination and reflection test geometries with extended pathlengths representative of realistic coastal sea water and cumulus cloud scenarios. In these experiments, undistorted range-gated optica[ images tiom specular and diffuse reflectance targets were acquired through scattering attenuations exceeding ten orders cf magnitude which would be undetectable with traditional optical methods. The broadcast and gating pulses were derived ilom both millijoules 10 Hz picosecond (50-100 ps) and 250 KHz microjoule femtosecond (-150 fs) laser configurations to assess signal-to-noise and spatiaI resolution considerations as a fimction of scattering, integration time, and repetition rate. In addition, the technique was combined with a self-referencing Shack-Hartrnann wavetiont sensor to dia=~ose underlying phase signatures of weak refictive index gradients (OPD-M1 00) or persistent convective wakes (exhaust plumes, bubbles), and to perform adaptive optical compensation in visual fields exhibiting both turbulence and turbidity (OD=4). Comparative system anaiysis results relating image quaiity, optimal gate width, detectable range, and broadcast laser size versus operative atmospheric scattering conditions and search/dwell probability of detection criteria will also be presented.

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Effect of Temperature on GaGdO/GaN Metal Oxide Semiconductor Field Effect Transistors

Applied Physics Letters

Baca, Albert G.

GaGdO was deposited on GaN for use as a gate dielectric in order to fabricate a depletion metal oxide semiconductor field effect transistor (MOSFET). This is the fmt demonstration of such a device in the III-Nitride system. Analysis of the effect of temperature on the device shows that gate leakage is significantly reduced at elevated temperature relative to a conventional metal semiconductor field effeet transistor (MESFET) fabricated on the same GaN layer. MOSFET device operation in fact improved upon heating to 400 C. Modeling of the effeet of temperature on contact resistance suggests that the improvement is due to a reduction in the parasitic resistances present in the device.

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300 Degree C GaN/AlGaN Heterojunction Bipolar Transistor

MRS Internet Nitride Journal

Baca, Albert G.

A GaN/AIGaN heterojunction bipolar transistor has been fabricated using C12/Ar dry etching for mesa formation. As the hole concentration increases due to more efficient ionization of the Mg acceptors at elevated temperatures (> 250oC), the device shows improved gain. Future efforts which are briefly summarized. should focus on methods for reducing base resistance.

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Quantitative Determination of Dielectric Thin-Film Properties Using Infrared Emission Spectroscopy

Applied Spectroscopy

Haaland, David M.

We have completed an experimental study to investigate the use of infrared emission spectroscopy (IRES) for the quantitative analysis of borophosphosilicate glass (BPSG) thin films on silicon monitor wafers. Experimental parameters investigated included temperatures within the range used in the microelectronics industry to produce these films; hence the potential for using the IRES technique for real-time monitoring of the film deposition process has been evaluated. The film properties that were investigated included boron content, phosphorus content, film thickness, and film temperature. The studies were conducted over two temperature ranges, 125 to 225 *C and 300 to 400 *C. The later temperature range includes realistic processing temperatures for the chemical vapor deposition (CVD) of the BPSG films. Partial least squares (PLS) multivariate calibration methods were applied to spectral and film property calibration data. The cross-validated standard errors of prediction (CVSEP) fi-om the PLS analysis of the IRES spectraof21 calibration samples each measured at 6 temperatures in the 300 to 400 "C range were found to be 0.09 wt. `?40 for B, 0.08 wt. `%0 for P, 3.6 ~m for film thickness, and 1.9 *C for temperature. By lowering the spectral resolution fi-om 4 to 32 cm-l and decreasing the number of spectral scans fi-om 128 to 1, we were able to determine that all the film properties could be measured in less than one second to the precision required for the manufacture and quality control of integrated circuits. Thus, real-time in-situ monitoring of BPSG thin films formed by CVD deposition on Si monitor wafers is possible with the methods reported here.

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Damage to III-V Devices During Electron Cyclotron Resonance Chemical Vapor Deposition

Journal of Vacuum Science and Technology A

Shul, Randy J.

GaAs-based metal semiconductor field effect transistors (MESFETS), heterojunction bipolar transistors (HBTs) and high electron mobility transistors (HEMTs) have been exposed to ECR SiJ&/NH3 discharges for deposition of SiNX passivating layers. The effect of source power, rf chuck power, pressure and plasma composition have been investigated. Effects due to both ion damage and hydrogenation of dopants are observed. For both HEMTs and MESFETS there are no conditions where substantial increases in channel sheet resistivity are not observed, due primarily to (Si-H)O complex formation. In HBTs the carbon-doped base layer is the most susceptible layer to hydrogenation. Ion damage in all three devices is minimized at low rf chuck power, moderate ECR source power and high deposition rates.

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Performance Assessment in Support of the 1996 Compliance Certification Application for the Waste Isolation Pilot Plant

Risk Analysis

Anderson, D.R.

The conceptual and computational structure of a performance assessment (PA) for the Waste Isolation Pilot Plant (WIPP) is described. Important parts of thk structure are @ maintenance of a separation between stochastic (i.e., aleatory) and subjective (i.e., epistemic) uncertain, with stochastic uncefinty arising from the many possible disruptions that could occur over the 10,000 Y regulatory period fiat applies to the WIPP and subjective uncertainty arising from `the imprecision with which many of the quantities rquired in tie `hdysis are known, (ii) use of Latin hypercttbe sampling to incorporate the effects of subjective uncefirtty, (iii) use of Monte Carlo (i.e., random) sampling to incorporate the effects of stochastic uncetinty, and OV) efficient use of tie necessarily limited number of mechanistic calculations that can be performed to SUPPOII the analysis. The WIPP is under development by the U.S. Department of Ener~ (DOE) for the geologic (i.e., deep underground) disposal of transuranic (TRU) waste, with the indicated PA supporting a ~Compliance Certification Application (CCA) by the DOE to the U.S. Environmental Protection Agency (EPA) in October 1996 for tie necessary certifications for the WIPP to begin operation. If certified, the WIPP will be the first operational faciliv in tie United States for the geologic disposal of ra&oactive waste.

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Distinguishability of Biological Material Using Ultraviolet Multi-Spectral Fluorescence

Science

Gray, P.C.; Heinen, R.J.; Rigdon, L.D.; Rosenthal, S.E.; Shokair, I.R.; Siragusa, G.R.; Tisone, G.C.; Wagner, J.S.

Recent interest in the detection and analysis of biological samples by spectroscopic methods has led to questions concerning the degree of distinguishability and biological variability of the ultraviolet (W) fluorescent spectra from such complex samples. We show that the degree of distinguishability of such spectra is readily determined numerically.

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GaN Stress Evolution During Metal-Organic Chemical Vapor Deposition

Applied Physics Letters

Floro, Jerrold A.

The evolution of stress in gallium nitride films on sapphire has been measured in real- time during metal organic chemical vapor deposition. In spite of the 161%0 compressive lattice mismatch of GaN to sapphire, we find that GaN consistently grows in tension at 1050"C. Furthermore, in-situ stress monitoring indicates that there is no measurable relaxation of the tensile growth stress during annealing or thermal cycling.

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Spatially Resolved Atomic and Molecular Spectroscopy in Microelectronics Processing Plasmas

Hebner, Gregory A.

Plasma processing of microelectronic materials is strongly dependent on the generation and control of neutral radial and ion species generated in a plasma. For example, process uniformity across a #er is drken by a combination of plasma charged particle and neutral uniformity. Due to extensive rexarch and engineering the current generation of commercial plasma reactors can generate very radially uniform ion distributions, usually better than ~ 2 perwnt as determined by ion saturation measurements. Due in part to the difficulty associated with determining the neutral radial distributions, control of the neutral radical uniformity is less well developed. This abstract will review our recent measurements of the spatial distribution of severaI important atomic and molecukw species in inductively coupled plasmas through C12 / BCIJ / Ar containing gas mixtures. Measured species include the ground state Cl and BC1 densities as well as the metastable argon density. The fbeus of this review will be on the experimental techniques and results. In addition to assisting in the development of a fbndarnental understanding of the important pkunna physics, these measurements have been used to benchmark multi dimensional plasma discharge codes.

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Transformation of Pb(II) from Cerrusite to Chloropyromorphite in the Presence of Hydroxyapatite under Varying Conditions of pH

Environmental Science and Technology

Zhang, Pengchu

Cerrusite (PbC03) is soluble under acidic conditions and considered to be a highly bioavailable soil Pb species. In this study, synthetic cerrusite and hydroxyapatite [Ca5(P04)30H] were reacted under constant and dynamic pH conditions with various P/Pb molar ratios in an attempt to evaluate the effect of reaction kinetics on the formation of chloropyromorphite (Pb5(P04)3Cl) and solubilization of Pb. Under constant pH conditions, dissolution rates of both cerrusite and apatite were rapid when pH was low. Complete conversion of Pb from cerrusite to chloropyromorphite occurred within 60 tin at pH 4 and below when the amount of phosphate in the added apatite was stoichoimetrically equal to that needed to transform all added Pb into chloropyromorphite. The concentration of soluble Pb depended upon the volubility of chloropyromorphite. The dissolution rates of apatite and cerrusite decreased with increasing pH, and the transformation was incomplete at pH 5 and above in the 60 rnin reaction period. The soluble Pb level, therefore, was determined by the volubility of cerrusite. In the dynamic pH system which simulated the gastrointestinal tract (GI tract) system, a complete transformation of Pb from cerrusite to chloropyromorphite was achieved due to the complete dissolution of apatite and cerrusite at the initial low pHs. Chloropyromorphite was the exclusive reaction product in both constant and dynamic pH systems as indicated by XRD analysis. The differences in transformation rate and the control of Pb volubility between the reactions occurring in constant and dynamic pH systems indicate the significance of kinetics in controlling the bioavailability of Pb and the potential for the reaction to occur during ingestion.

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Formation of Chloropyromorphite from Galena (PbS) in the Presence of Hydroxyapatite

Environmental Science and Technology

Zhang, Pengchu

Transformation of unstable lead [Pb(ll)] forms into insoluble pyromorphite, [Pb5(P04)3(OH, Cl, F...)], by addition of phosphate to Pb contaminated soil has been proposed as a remediation technology which reduces the mobility and bioavailability of Pb. Under aerobic condition, oxidation of dissolved sulfide increases dissolution of galena (PbS), causing it to become a source of liable Pb forms in soils, sediments and wastes. Thus, a galena ore was reacted with synthetic hydroxyapatite [Ca5(P04)30H] under various pH condition to determine the formation rate of pyromorphite and the volubility of galena under the ambient conditions. In a 6 day reaction period the dissolution rate of galena increased with pH due to the oxidation of dissolved sulfide. Correspondingly, formation of chloropyrornorphite became apparent in the galena- apatite suspensions with increasing pH. The insignificant effect of mineral P/Pb molar ratio on the formation of chloropyromorphite implied that dissolution of galena was the rate limiting step.

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The "Z" Pulsed Radiation Source: Recent Developments in Equation of State Measurement Capabilities

Asay, J.R.

The Sandia Z machine is a source of intense radiation which can be used to drive ablative shocks for equation of state studies. In developing the capability to diagnose these types of studies on Z, techniques commonly used in conventional impact generated experiments were leveraged. The primary diagnostic transferred was velocity interferome~, VLSAR, [1] which not only provides Hugoniot particle velocity measurements, but also indications of shock stability and wave attenuation. In addition to a VISAR capability on the Z machine, methods for measuring shock velocity have been developed. When these measured parameters are used in conjunction with the Rankine-Hugoniot jump conditions, [2] material response at high temperatures and pressures can be inferred. With sample sizes used on Z being much smaller than those fielded in typical impact experiments, temporal resolution and methods of interfacing the diagnostics with the targets had to be improved. In this paper, a "standard" equation of state experiment, associated diagnostics, and some recent results in aluminum and beryllium will be discussed.

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Z-Pinch Drivers for Shock Physics Research

Asay, J.R.

The recent development of Z pinch drivers for producing intense radiation envkomn~ enables study of physical and mechanical properties of condensed materials in regimes previously inaccessible in the Mm-am-y. With Z pinch radiation sources, it is possible fo subject mm-sized sampies to pianar compressions of a fe w Mbar. Tie-resolved velocity interferometry was used to perform the first shock loading and unloading profiles in Al and Be for ablatively driven shock$s to 3 Mbar and the first iseritropic loading of iron specimens to 300 War. A principai goai of our shock physics program is to establish a capability to make accurats eqwion of state measurements on the Z pulsed radiation source. The Z accelerator is a source of intense radntion, which can be used to drive ablative shocks for E(X$ studies. With this source, ablative muki-Mbar shocks can be produced to study materials over the range of interest to both weapons and ICF physics programs. In developing the capability to diagnose these types of studies on Z, techniques commonly used in conventional impact generated experiments were implemented. The primary diagnostic presently being used for this work is ve"!ocity interferoinetry, VL%4R, [2] which not only provides Hugoniot particle velocity measurements, but also measurements of non-shock EOS measummenu,, such as isentropic compression. In addition to VKSAR capability, methods for measuring shock velocity have also been developed for shock studies on Z. When used in conjunction with the Rankine-Hugoniot jump conditions, material response at high temperatures and pressures can be inferred. The next section discusses the basic approach for conducting EOS experiments on Z for both shock loading and istmtropic compression on the Z accelerator.

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Tethered Chains in Poor Solvent Conditions: An Experimental Study Involving Langmuir Diblock Copolymer Monolayers

Journal of Chemical Physics

Kent, Michael S.

We have employed Langmuir monolayer of highly asymmetric polydimethylsiloxane- polystyrene (PDMS-PS) diblock copolymers on dioctyl phthalate (DOP) at temperatures ranging from 22 "C to -35 `C as a model system for tethered chains in poor solvent conditions. The thicknesses of the tethered PS layers extending into the DOP subphase, measured by neutron reflection, decrease with decreasing temperature (T) over this entire r~ge. However, the v~iation with T becomes weak below -20 "C. At the ]owest T, the layer thicknesses are contracted 55 % -75 `% of their values at the theta condition (T8 = 22 "C), but are still quite swollen compared to the fully collapsed, nonsolvent limit. The contraction of the layer with decreasing T is determined as a function of surface density and molecular weight. These data are compared to universal scaling forms. The PS segments are depleted from the air surface over the entire T range, the thickness of the depletion layer increasing slightly with decreasing T. The free energy of the surface layer is probed by surface tension measurements. Negative surface pressures are observed at low coverages for both PDMS-PS and PDMS monolayer, indicating metastability toward lateral phase separation. Evidence for a trruisition from a dispersed phase to a condensed phase with decreasing T was observed in the reflectivity at very low PDMS-PS coverage.

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W and WSi(x) Ohmic Contacts on p- And n-Type GaN

Journal of Vacuum Science and Technology A

Shul, Randy J.

W and WSi ohmic contacts on both p- and n-type GaN have been annealed at temperatures from 300-1000 *C. There is minimal reaction (< 100 ~ broadening of the metal/GaN interface) even at 1000 *C. Specific contact resistances in the 10-5 f2-cm2 range are obtained for WSiX on Si-implanted GaN with a peak doping concentration of- 5 x 1020 cm-3, after annealing at 950 `C. On p-GaN, leaky Schottky diode behavior is observed for W, WSiX and Ni/Au contacts at room temperature, but true ohmic characteristics are obtained at 250 - 300 *C, where the specific contact resistances are typically in the 10-2 K2-cm2 range. The best contacts for W and WSiX are obtained after 700 *C annealing for periods of 30- 120 sees. The formation of &WzN interracial phases appear to be important in determining the contact quality.

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Mechanisms and modeling of single-event upset

Dodd, Paul E.

The basic mechanisms of single-event upset are reviewed, including charge collection in silicon junctions and transistors, and properties of single-event upset in CMOS static random access memory (SRAM) cells. The mechanisms are illustrated through the use of three-dimensional device and circuit simulations. Technology trends and implications for commercial devices are discussed.

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Growth of Highly-Oriented Carbon Nanotubes by Plasma-Enhanced Hot Filament Chemical Vapor Deposition

Applied Physics Letters

Siegal, Michael P.

Highly-oriented, multi-walled carbon nanotubes were grown on polished polycrystalline and single crystal nickel substrates by plasma enhanced hot filament chemical vapor deposition at temperatures below 666"C. The carbon nanotubes range from 10 to 500 nm in diameter and 0.1 to 50 pm in length depending on growth conditions. Acetylene is used as the carbon source for the growth of the carbon nanotubes and ammonia is used for dilution gas and catalysis. The plasma intensity, acetylene to ammonia gas ratio and their flow rates, etc. affect the diameters and uniformity of the carbon nanotubes. In summary, we synthesized large-area highly-oriented carbon nanotubes at temperatures below 666C by plasma-enhanced hot filament chemical vapor deposition. Acetylene gas is used to provide carbon for nanotube growth and ammonia gas is used for dilution and catalysis. Plasma intensity is critical in determining the nanotube aspect ratios (diameter and length), and range of both site and height distributions within a given film.

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Monolayer-Mediated Patterning of Electroceramic Thin Films

Journal of Electroceramics

Clem, Paul

Integrated electroceramic thin film devices on semiconductor and insulator substrates feature a variety of attractive attributes, including high capacitance density, nonvolatile memory, sensor/actuator ability, and other unique electronic and optical properties. The ability to pattern such ceramic materials atop semiconductor substrates, thus, is a critical technology. Patterned oxide thin film devices are typically formed by uniform film deposition followed by somewhat complicated post-deposition ion-beam or chemical etching in a controlled environment. We review here the development of an ambient atmosphere technique which allows selective deposition of electroceramic thin layers without such post-deposition etching. In this method, substrate surfaces are selectively functionalized with hydrophobic self-assembled monolayer to modify the adhesion of subsequently deposited solution-derived electroceramics. The selective fictionalization is achieved through microcontact printing (v-CP) of self-assembled monolayer of the chemical octadecyltrichlorosilane on substrates of technical interest. Subsequent sol-gel deposition of ceramic oxides on these functionalized substrates, followed by lift-off from the monolayer, yields high quality, patterned oxide thin layers only on the unfunctionalized regions. A variety of micron- scale dielectric oxide devices have been fabricated using this process, with lateral resolution as fine as 0.5Lm. In this paper, we review the monolayer patterning and electrical behavior of several patterned electroceramic thin films, including Pb(Zr,Ti)03 [PZT], LiNb03, and Ta205. An applied device example is also presented in combination with selective MOCVD deposition of metal electrodes: integrated, fully monolayer-patterned Pt//PZT//PSi(Si(100) ferroelectric memory cells.

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Basic Data Report for Drillholes on the H-19 Hydropad (Waste Isolation Pilot Plant--WIPP)

Beauheim, Richard L.

Seven holes were drilled and wells (H-19b0, H-19b2, H-19b3, H-19b4, H-19b5, H-19b6, and H-19b7) were constructed on the H-19 hydropad to conduct field activities in support of the Culebra Transport Program. These wells were drilled and completed on the Waste Isolation Pilot Plant (WIPP) site during February to September 1995. An eighth hole, H-19b1, was drilled but had to be abandoned before the target depth was reached because of adverse hole conditions. The geologic units penetrated at the H-19 location include surficial deposits of Holocene age, rocks from the Dockum Group of Upper Triassic age, the Dewey Lake Redbeds, and Rustler Formation of the Permian age. The Rustler Formation has been further divided into five informal members which include the Forty-niner Member, Magenta Member, Tamarisk Member, Culebra Dolomite Member, and an unnamed lower member. The Rustler Formation, particularly the Culebra Dolomite Member, is considered critical for hydrologic site characterization. The Culebra is the most transmissive saturated unit above the WIPP repository and, as such, is considered to be the most likely pathway for radionuclide transport to the accessible environment in the unlikely event the repository is breached. Seven cores from the Culebra were recovered during drilling activities at the H-19 hydropad and detailed descriptions of these cores were made. On the basis of geologic descriptions, four hydrostratigraphic units were identified in the Culebra cores and were correlated with the mapping units from the WFP air intake shaft. The entire length of H-19b1 was cored and was described in detail. During coring of H-19b1, moisture was encountered in the upper part of the Dewey Lake Redbeds. A 41-ft-thick section of this core was selected for detailed description to qualify the geologic conditions related to perched water in the upper Dewey Lake. In addition to cuttings and core, a suite of geophysical logs run on the drillholes was used to identify and correlate different lithologies among the seven wells.

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Theoretical Limit to the Laser Threshold Current Density in an InGaN Quantume Well Laser

Applied Physics Letters

Chow, Weng W.

This paper describes an investigation of the spontaneous emission limit to the laser threshold current density in an InGaN quantum well laser. The peak gain and spontaneous emission rate as functions of carrier density are com- puted using a microscopic laser theory. From these quantities, the minimum achievable threshold current density is determined for a given threshold gain. The dependence on quantum well width, and the effects of inhomogeneous broadening due to spatial alloy variations are discussed. Also, comparison with experiments is made.

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Plasma Heating in Highly Excited GaN/AlGaN Multiple Quantum Wells

Applied Physics Letters

Chow, Weng W.

Plasma Heating in Highly Excited GaN/AIGaN Multiple Quantum @@lvEu Wells w f + 1998 %p, K. C. Zeng, R. Mair, J. Y. Liz and H. X. Jiang a) ` fabrication and understanding of MQW lasers [2-5]. For the design of these lasers, one on RT optical studies. Our results revealed that in the GaN/AIGaN MQWS, plasma heating strongly effects the carrier distribution between the confined and unconfined band-to-band and fke excitonic transitions [7]. In the MQW sample under low the unconfined states as determined from the band structure. sample under high Lxc, we varied the excitation intensity by one order of magnitude from 0.110 to IO. The carrier density is estimated to be about N=1012/cm2 (at UC= 0.1 Io) to 1013/cm2 (at 1=== l.). We plotted the PL spectra for four representative excitation fimction of injected carrier density N (open squares). The ratio starts at a value of about 18% for N=1012/cm2 (& = O. lb), and reaches a value over 64 `XO for N=1013/cm2 (& = regions is a loss to optical gain. The carrier density is ve~ high in our experiment and an electron-hole plasma (EHP) state is expected. Because the carrier transfer process plasma temperature. The laser pump energy is about 4.3 eV, which is far above the energy band gap of the sample studied here. This may result in a hot carrier population carrier densities and plasma temperatures. Using a phenomenological expression based The calculated ratio of carriers in the unconfked to the confined states (Ima~ kf) as a finction of carrier density at different temperatures are plotted in Fig. 3 (solid lines). The figure shows that the experiment results can only be explained by plasma heating of the injected carriers at high & ( TP > TJ. The transparency carrier densities for GaN/AIXGal.XN MQW structures with well thickness from 2 to 4 nm were calculated to be around 1x 1012/cm2 [10]. It is thus obvious from Fig. 3 that under high carrier injection density above the transparency density, the plasma temperature, TP, is no longer a constant. It rapidly increases with injected carrier density. Our results indicate that above the transparency carrier density, the carrier temperature may be a few due to the carrier plasma heating effect. Plasma heating makes it more difficult to obtain high quantum efficiency in the on improving the quantum efficiency of fiture GaN/AlxGalJ MQW laser structures, form an EHP and (b) plasma heating of the injected carriers strongly affects the carrier above the transparency density, the carrier plasma temperature may be a few hundred carrier density. The importance of plasma heating has both theoretical and experimental implications. It complicates the modeling of III-N lasers because plasma temperature The ratio of the PL intensities of the 25 ~ GaN/AIO.w&.mN MQW sample from fimction of injected carrier density. The open squares are experimental data and

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Distributed Sensing and Cooperating Control for Swarms of Robotic vehicles

Hurtado, John E.

DISTRIBUTED SENSING AND COOPERATING CONTROL FOR SWARMS OF ROBOTIC VEHICLES Key words: Distributed Sensing, Cooperative Control. ABSTRACT We discuss an approach to effectively control a large swarm of autonomous, robotic vehicles, as they per- form a search and tag operation. In particular, the robotic agents are to find the source of a chemical plume. The robotic agents work together through dis- tributed sensing and cooperative control. Distributed sensing is achieved through each agent sampling and sharing his information with others. Cooperative con- trol h accomplished by each agent u-sing its neighbors information to determine an update strategy. INTRODUCTION There is currently considerable interest in expanding the role of robotic vehicles in surveillance and inspec- tion; searching, following and t aggir-g and locating and identifying targets. In particular, researchers are beginning to focus on using small autonomous robotic vehicles for these tasks. This focus has been brought about largely because of the many recent advances in microelectronics and sensors, which include small, low power, CCD cameras; small microprocessors with ex- panded capabilities; autonomous navigation systems using GPS; and severrd types of small sensors. It seems likely that these technological advances will lead to in- expensive, easy to fabricate, autonomous vehicles out- fitted with an array of sensors. This, in turn, will allow researchers to consider teams, or even swarms, of these agents to perform a particular task. It is natural then to wonder how one might effectively control a team, or even a swarm, of robotic agents. In this paper, we discuss an approach to effectively control a large swarm of autonomous, robotic vehicles as they perform a search and tag operation. In par- ticular, the robotic agents are to find the source of a chemical plume. The robotic agents work together through distributed sensing and cooperative control. Distributed sensing is achieved through each agent sampling and sharing his information with others. Co- operative control is accomplished by each agent using its neighbors information to determine a control (or TECHNICAL DEVELOPMENT In this section we highlight the technical development of our distributed sensing and cooperative control ap- proach to effectively control a large swarm of au- tonomous, robotic vehicles. Recall that the agents are tasked with locating the chemical plume source within a chemical plume field. In our simulations, we assume that the agents are outfitted with a GPS sensor, which provides their cur- rent location, and a chemical "sniffer," which allows them to detect the strength of the chemical plume at their current location. Furthermore, we assume that the robots have onboard processing capability, and are able to communicate with one another via RF modems together with bit packing and error correction tech- niques, like those discussed by Lewis et al [4]. Thus, each agent is able to communicate and share informa- tion with all others (i.e., there is global communica- tion). In this mode, at a particular instant in time, the agents sample the chemical plume field and post this information and their current location for the oth- ers. The agents then assemble the information and de- termine a projected target of where they believe the chemical source is located. The position update for each agent is then based upon its current position and the position of the projected target.

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Micromachined Systems-on-a-Chip: Infrastructure, Technology and Applications

Krygowski, T.W.

A review is made of the infrastructure, technology and capabilities of Sandia National Laboratories for the development of micromechanical systems that have potential space applications. By incorporating advanced fabrication processes, such as chemical mechanical polishing, and several mechanical polysilicon levels, the range' of rrticromechanical systems that can be fabricated in these technologies is virtually limitless. Representative applications include a micro- engine driven mirror, and a micromachined lock. Using a novel integrated MEM!YCMOS technology, a six degree-of-freedom accelerometer/gyroscope system has been designed by researchers at U.C. Berkeley and fabricated on the same silicon chip as the CMOS control circuits to produce an integrated micro-navigational unit.

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START-3: Operational Evaluations of the ISUS Engine Ground Demonstration Thermionic Power System

Wyant, Francis J.

START-3 was a test program conducted in order to demonstrate and characterize the operational performance of the prototype Integrated Solar Upper Stage (ISUS) thermionic power system. The test device consisted of a graphite thermal storage uni~ multilayer foil insulation, and sixteen thermionic converters electrically connected in a series array. Several thermal input conditions were achieved during the test, which resulted in measuring converter performance at average converter hot shoe temperatures in the range of 1600 K to 2000 K. Results indicate that the ;hermionic converter; did not perform as weil as expected in the array individual sixteen converters is currently being performed.

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Micro-Fluidic Diffusion Coefficient Measurement

Galambos, Paul C.

A new method for diffusion coefficient measurement applicable to micro-fluidics is pre- sented. The method Iltilizes an analytical model describing laminar dispersion in rect- anglllar ~llicro_channe]s. The Illethod ~vas verified throllgh measllremen~ of fllloresceill diffusivity in water and aqueolls polymer solutions of differing concentration. The diffll- sivity of flllorescein was measlmed as 0.64 x 10-gm2/s in water, 0.49 x 10-gm2/s in the 4 gm/dl dextran solution and 0.38 x 10-9n12/s in the 8 gnl/dl dextran solution.

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Efficient Control Law Simulation for Multiple Mobile Robots

Driessen, B.J.; Feddema, J.T.; Kotulski, J.D.; Kwok, K.S.

In this paper we consider the problem of simulating simple control laws involving large numbers of mobile robots. Such simulation can be computationally prohibitive if the number of robots is large enough, say 1 million, due to the 0(N2 ) cost of each time step. This work therefore uses hierarchical tree-based methods for calculating the control law. These tree-based approaches have O(NlogN) cost per time step, thus allowing for efficient simulation involving a large number of robots. For concreteness, a decentralized control law which involves only the distance and bearing to the closest neighbor robot will be considered. The time to calculate the control law for each robot at each time step is demonstrated to be O(logN).

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Regulatory Closure Options for the Residue in the Hanford Site Single-Shell Tanks

Cochran, John R.

Liquid, mixed, high-level radioactive waste (HLW) has been stored in 149 single-shell tanks (SSTS) located in tank farms on the U.S. Department of Energy's (DOE's) Hanford Site. The DOE is developing technologies to retrieve as much remaining HLW as technically possible prior to physically closing the tank farms. In support of the Hanford Tanks Initiative, Sandia National Laboratories has addressed the requirements for the regulatory closure of the radioactive component of any SST residue that may remain after physical closure. There is significant uncertainty about the end state of each of the 149 SSTS; that is, the nature and amount of wastes remaining in the SSTS after retrieval is uncertain. As a means of proceeding in the face of these uncertainties, this report links possible end-states with associated closure options. Requirements for disposal of HLW and low-level radioactive waste (LLW) are reviewed in detail. Incidental waste, which is radioactive waste produced incidental to the further processing of HLW, is then discussed. If the low activity waste (LAW) fraction from the further processing of HLW is determined to be incidental waste, then DOE can dispose of that incidental waste onsite without a license from the U.S. Nuclear Regulatory Commissions (NRC). The NRC has proposed three Incidental Waste Criteria for determining if a LAW fraction is incidental waste. One of the three Criteria is that the LAW fraction should not exceed the NRC's Class C limits.

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Results from the Microminiature Thermionic Converter Demonstration Testing Program

King, Donald B.

Research is in progress to develop microminiature thermionic converters (MTCS) with high energy conversion efficiencies and variable operating temperatures using semiconductor integrated circuit (IC) fabrication methods. The use of IC techniques allows the fabrication of MTCS with cathode to anode spacing of several microns or less and with anode and cathode materials that will have work fimctions ranging from 1 eV to 3 eV. The small cathode to anode spacing and variable electrode work functions should allow the conversion of heat energy to relatively large current densities (up to tens of Amps/cmz) at relatively high conversion efficiencies ( 15-25%).

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Evaluation of the ISUS Power Management and Distribution System Under Operational Conditions

Button, R.M.; Luker, S.M.; Nelson, R.C.; Wyant, F.J.

An operational evaluation of the Integrated Solar Upper Stage (ISUS) power management and distribution (PMAD) system was conducted as part of the Engine Ground Demonstration thermionic power system test program-- START-3. START-3 testing took place at the Baikal Test Stand, located in the University of New Mexico's Energy Conversion Research Laboratory at the New Mexico Engineering Research Institute in Albuquerque, NM. One objective of this test was to evaluate the operational performance of the lSUS PMAD system developed by the National Aeronautics and Space Administration (NASA) Lewis Research Center. Tests of the PMAD with the ISUS diode string demonstrated that the PMAD could regulate the output of an array of thermionic converters within the design requirements and couId be modified to optimize performance for diode strings of fewer than 16 diodes.

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A Combustion Model for the TWA 800 Center-Wing Fuel Tank Explosion

Baer, M.R.; Gross, R.J.

In support of the National Transportation Safety Board investigation of the TWA Flight 800 accident, a combined experimental/computational effort was conducted that focused on quarter-scale testing and simulation of the fuel-air explosion in the Boeing 747 center wing fuel tank. This report summarizes the modeling approach used at Sandia National Laboratories. In this approach approximations are introduced that capture the essential physics associated with turbulent flame propagation in multiple compartment fuel tanks. This model efficiently defines the pressure loading conditions during a jet-fuel air explosion in a fuel tank confinement. Modeling calculations compare favorably with a variety of experimental quarter-scale tests conducted in rigid confinement. The modeling describes well the overpressure history in several geometry configurations. Upon demonstrating a reasonable comparison to experimental observations, a parametric study of eight possible ignition sources is then discussed. Model calculations demonstrate that different loading conditions arise as the location of the ignition event is varied. By comparing the inferred damage and calculated impulses to that seen in the recovered tank, it maybe possible to reduce the number of likely sources. A possible extension of this work to better define tank damage includes coupling the combustion model as a pressure loading routine for structural failure analysis.

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Rapid Melt and Resolidification of Surface Layers Using Intense, Pulsed Ion Beams Final Report

Renk, Timothy J.

The emerging technology of pulsed intense ion beams has been shown to lead to improvements in surface characteristics such as hardness and wear resistance, as well as mechanical smoothing. We report hereon the use of this technology to systematically study improvements to three types of metal alloys - aluminum, iron, and titanium. Ion beam tieatment produces a rapid melt and resolidification (RMR) of the surface layer. In the case of a predeposited thin-fihn layer, the beam mixes this layer into the substrate, Ieading to improvements that can exceed those produced by treatment of the alloy alone, In either case, RMR results in both crystal refinement and metastable state formation in the treated surface layer not accessible by conventional alloy production. Although more characterization is needed, we have begun the process of relating these microstructural changes to the surface improvements we discuss in this report.

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Development of an Immersive Environment to Aid in Automatic Mesh Generation LDRD Final Report

Pavlakos, Constantine

The purpose of this work was to explore the use of immersive technologies, such as those used in synthetic environments (commordy referred to as virtual realily, or VR), in enhancing the mesh- generation process for 3-dimensional (3D) engineering models. This work was motivated by the fact that automatic mesh generation systems are still imperfect - meshing algorithms, particularly in 3D, are sometimes unable to construct a mesh to completion, or they may produce anomalies or undesirable complexities in the resulting mesh. It is important that analysts and meshing code developers be able to study their meshes effectively in order to understand the topology and qualily of their meshes. We have implemented prototype capabilities that enable such exploration of meshes in a highly visual and intuitive manner. Since many applications are making use of increasingly large meshes, we have also investigated approaches to handle large meshes while maintaining interactive response. Ideally, it would also be possible to interact with the meshing process, allowing interactive feedback which corrects problems and/or somehow enables proper completion of the meshing process. We have implemented some functionality towards this end -- in doing so, we have explored software architectures that support such an interactive meshing process. This work has incorporated existing technologies developed at SandiaNational Laboratories, including the CUBIT mesh generation system, and the EIGEN/VR (previously known as MUSE) and FLIGHT systems, which allow applications to make use of immersive technologies and advanced human computer interfaces. 1

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Bibliography for Verification and Validation in Computational Simulations

Oberkampf, William L.

A bibliography has been compiled dealing with the verification and validation of computational simulations. The references listed in this bibliography are concentrated in the field of computational fluid dynamics (CFD). However, references from the following fields are also included: operations research, heat transfer, solid dynamics, software quality assurance, software accreditation, military systems, and nuclear reactor safety. This bibliography, containing 221 references, is not meant to be comprehensive. It was compiled during the last ten years in response to the author's interest and research in the methodology for verification and validation. The emphasis in the bibliography is in the following areas: philosophy of science underpinnings, development of terminology and methodology, high accuracy solutions for CFD verification, experimental datasets for CFD validation, and the statistical quantification of model validation. This bibliography should provide a starting point for individual researchers in many fields of computational simulation in science and engineering.

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Bomb Detection Using Backscattered X-Rays

Lockwood, Grant J.

Bomb Detection Using Backscattered X-rays* Currently the most common method to determine the contents of a package suspected of containing an explosive device is to use transmission radiography. This technique requires that an x-ray source and film be placed on opposite sides of the package. This poses a problem if the pachge is placed so that only one side is accessible, such as against a wall. There is also a threat to persomel and property since exTlosive devices may be "booby trapped." We have developed a method to x-ray a paclage using backscattered x-rays. This procedure eliminates the use of film behind the target. All of the detection is done from the same side as the source. When an object is subjected to x-rays, some of them iare scattered back towards the source. The backscattenng of x-rays is propordoml to the atomic number (Z) of the material raised to the 4.1 power. This 24"' dependence allows us to easily distinguish between explosives, wires, timer, batteries, and other bomb components. Using transmission radiography-to image the contents of an unknown package poses some undesirable risks. The object must have an x-ray film placed on the side opposite the x-ray source; this cannot be done without moving the package if it has been placed firmly against a wall or pillar. Therefore it would be extremely usefid to be able to image the contents of a package from only one side, without ever having to disturb the package itself. where E is the energy of the incoming x-ray. The volume of x-rays absorbed is important because it is, of course, directly correlated to the intensity of x-mys that will be scattered. Most of the x-rays that scatter will do so in a genemlly forward direction; however, a small percentage do scatter in a backward direction. Figure 1 shows a diagram of the various fates of x-rays directed into an object. The package that was examined in this ex~enment was an attache case made of pressed fiberboardwith a vinyl covering. It was approxirmtely 36 cm wide by 51 cm long by 13 cm deep. The case was placed on an aluminum sheet under the x-ray source. Because of the laborato~ setup, the attache case was rastered in the y-coordinate direction, while the x-ray source mstered in the x-coordinate direction. However, for field use, the x-ray source would of course raster in both the x- and y-coordinate directions, while the object under interrogation would remain stationary and undisturbed. A mobile system for use by law enforcement agencies or bomb disposal squads needs to be portable and somewhat durable. A 300 kV x-ray source should be sufficient for the task requirements and can be mounted on a mobile system. A robotic carriage could be used to transport the x-ray source and the CCD camera to the proximity of the suspect package. The controlling and data analyzing elements of the system' could then be maintained at a &tie distance from the possible explosive. F@re 8 shows a diagram of a conceptual design of a possible system for this type of use. The use of backscattered x-rays for interrogation of packages that may contain explosive devices has been shown to be feasible inthelaboratory. Usinga 150kVx-ray source anddetectors consisting of plastic scintillating material, all bomb components including the wiring were detectable. However, at this time the process requires more time than is desirable for the situations in which it will most likely be needed. Further development of the technology using CCD cameras, rather than the plastic stint illator detectors, shows promise of leading to a much faster system, as well as one with better resolution. Mounting the x- ray source and the CCD camera on a robotic vehicle while keeping the controlling and analyzing components and the opemting personnel a safe distance away from the suspect package will allow such a package to be examined at low risk to human life.

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UNI Signaling 4.0 Security Addendum: Call for Straw Ballot

Tarman, Thomas D.

The ATM Forum UNI 4.0 Security Addendum has undergone 4 revisions and has been without substantive modifications for 3 ATM Forurn meetings. This contribution is intended to assist the ATM Forum CS Working Group in the process of bringing BTD-CS-UNI-SEC-O1 .04 DIUFT to Straw Ballot. This effort applies equally to its companion documen~ BTD-CS-PNNI-SEC-O 1.02 DRAFT. BTD-CS-UNI-SEC-01 .04 DRAFT is an addendum to UNI 4.0 Signaling that describes the additional procedures needed of ATM signaling to support the signaling-based securily message exchange protocol, and its 4 basic security mechanisms, authentication, confidentiality, integrity and access control for ATM VC/VPs. These services are specified in detail in ATM Forurn document af-sec-0100.000, which is currently in Final Ballot. The remaining identified work for BTD-CS-UNI-SEC-01 .04 DRAFT includes the resolution of the TBD items in the draft, and a review of the sections of the ATM Forum Security Specification V 1.0 af-sec- 0100.000, that are specifically referenced by BTD-CS-UNI-SEC-O 1.04 DRAFT. In support of this effort, this contribution includes the relevant baseline text of the referenced sections of that Security Specification.

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Scalable Parallel Utopia

Pierson, Lyndon G.

This contribution proposes a 128 bit wide interface structure clocked at approximately 80 MHz that will operate at 10 Gbps as a strawman for a 0C192C Utopia Specification. In addition, the concept of scalable width of data transfers in order to maintain manageably low clock rates is proposed.

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Assessment of the Meteorological Characterization Used in the ADROIT Code

Ryder, Eric E.

The ADROIT Analysis of Dispersal Risk Qccurring in transportation code is the primary tool used to perform probabilistic risk assessments for the Transportation Safeguards Division of the Department of Energy. The current version of ADROIT uses a Pasquill-Gifford stability-class approach to meteorological characterization. In order to assess the affect that this simplified approach to weather characterization has on ADROIT'S predictions of consequence and risk, the Pasquill-Gifford stability-class approach was replaced with a direct use of radiosonde data from the National Climatic Data Center (NCDC). A comparison of results obtained for the two weather characterizations shows that, under certain circumstances, the use of the stability-class approach can result in a significant underprediction of consequence and risk values. Since such an underprediction is non-consewative, it is recommended that the stability-class approach currently used by ADROIT be replaced with a more detailed characterization of meteorological conditions. Specifically, the NCDC database was found to have sufllcient temporal and spatial resolution for ADROIT applications. Understanding that an attempt to use of all of the NCDC data in ADROIT would be prohibitive, a sampling scheme is presented as a viable alternative for instituting the recommendation of this study.

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Determination of Solution Accuracy of Numerical Schemes as Part of Code and Calculation Verification

Black, Amalia R.

This investigation is concerned with the accuracy of numerical schemes for solving partial differential equations used in science and engineering simulation codes. Richardson extrapolation methods for steady and unsteady problems with structured meshes are presented as part of the verification procedure to determine code and calculation accuracy. The local truncation error de- termination of a numerical difference scheme is shown to be a significant component of the veri- fication procedure as it determines the consistency of the numerical scheme, the order of the numerical scheme, and the restrictions on the mesh variation with a non-uniform mesh. Genera- tion of a series of co-located, refined meshes with the appropriate variation of mesh cell size is in- vestigated and is another important component of the verification procedure. The importance of mesh refinement studies is shown to be more significant than just a procedure to determine solu- tion accuracy. It is suggested that mesh refinement techniques can be developed to determine con- sistency of numerical schemes and to determine if governing equations are well posed. The present investigation provides further insight into the conditions and procedures required to effec- tively use Richardson extrapolation with mesh refinement studies to achieve confidence that sim- ulation codes are producing accurate numerical solutions.

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Database of Mechanical and Hydrological Properties of WIPP Anhydrite Derived from Laboratory-Scale Experiments

Hansen, Francis D.

The Department of Energy (DOE) has developed the Waste Isolation Pilot Plant (WIPP) for the purpose of demonstrating safe management, storage, and disposal of radioactive transuranic (TRU) waste generated by U.S. defense programs. The WIPP is located in southeastern New Mexico, and the underground facilities of the WIPP (i.e., experimental rooms, disposal rooms, etc.) are sited in the bedded salt of the Salado Formation at a depth of about 660 meters. The DOE has authorized the continuance of scientific research and engineering analysis related to the performance of the WIPP repository. One area of additional research relates to characterization of the mechanical and hydrological properties of anhydrite interbeds within the Salado Formation. These anhydrite interbeds have been penetrated by the shafts that provide access to the underground facilities and also lie in close proximity to the proposed radioactive waste disposal rooms at the repository horizon. Properties of particular interest are mechanical strength, deforrnational behavior, and fluid transport properties such as permeability. These properties will be used in calculationskmalyses of the mechanical and hydrological behavior of the anhydrite, in particular, and the shaft sealing system and disposal rooms, in general.

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The Impact of Restructuring Policy Changes on Power Grid Reliability

Robinson, David G.

This paper outlines the results of a cooperative effort between Sandia National Laboratories, Associated Power Analysts, Inc. and Texas A&M University to characterize the impact of a changing regulatory environment on the reliability of customer electrical service. It was desired to assess the impact in as realistic an environment as possible. Due the availability of data the initial study centered on the electric power grid in Texas. Specifically, data from the Electric Reliability Council of Texas (ERCOT) for the 1997 operational year was used in the research. Based on geography and location of generation and transmission lines, ten basic areas were considered and each area was modeled as a single point generation and load. A number of restructuring scenarios were developed by researchers at Sandia National Laboratories and investigated by Associated Power Analysts using their N-Area Reliability Program (NARP). The present study is limited to an assessment of the adequacy aspects of reliability: sufficiency of installed generation and transmission capacity to satisfy the needs of all consumers in a steady- state sense. The results are, on one hand conservative in that they address on] y the impact of peak loading. Alternatively, the~ are optimistic in that the transmission lines are assumed to be in continuous operation. The major results of this study indicate that, in anew regulatory era, the reliability of customer service will be significantly impacted, possibly in a negative fashion, unless the effects of the ensuing economic pressures are understood and appropriate actions taken.

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Differences Between Distributed and Parallel Systems

Brightwell, Ronald B.

Distributed systems have been studied for twenty years and are now coming into wider use as fast networks and powerful workstations become more readily available. In many respects a massively parallel computer resembles a network of workstations and it is tempting to port a distributed operating system to such a machine. However, there are significant differences between these two environments and a parallel operating system is needed to get the best performance out of a massively parallel system. This report characterizes the differences between distributed systems, networks of workstations, and massively parallel systems and analyzes the impact of these differences on operating system design. In the second part of the report, we introduce Puma, an operating system specifically developed for massively parallel systems. We describe Puma portals, the basic building blocks for message passing paradigms implemented on top of Puma, and show how the differences observed in the first part of the report have influenced the design and implementation of Puma.

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Connecting Remote Clusters with ATM

Hu, Tan C.

Sandia's entry into utilizing clusters of networked workstations is called Computational Plant or CPlant for short. The design of CPlant uses Ethernet to boot the individual nodes, Myrinet to communicate within a node cluster, and ATM to connect between remote clusters. This SAND document covers the work done to enable the use of ATM on the CPlant nodes in the Fall of 1997.

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An Introduction to Wavelet Theory and Analysis

Miner, Nadine E.

This report reviews the history, theory and mathematics of wavelet analysis. Examination of the Fourier Transform and Short-time Fourier Transform methods provides tiormation about the evolution of the wavelet analysis technique. This overview is intended to provide readers with a basic understanding of wavelet analysis, define common wavelet terminology and describe wavelet amdysis algorithms. The most common algorithms for performing efficient, discrete wavelet transforms for signal analysis and inverse discrete wavelet transforms for signal reconstruction are presented. This report is intended to be approachable by non- mathematicians, although a basic understanding of engineering mathematics is necessary.

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Analysis of Multistage and Other Creep Data for Domal Salts

Munson, Darrell E.

There have existed for some time relatively sparse creep databases for a number of domal salts. Although all of these data were analyzed at the time they were reported, to date there has not been a comprehensive, overall evaluation within the same analysis framework. Such an evaluation may prove of value. The analysis methodology is based on the Multimechanism Deformation (M-D) description of salt creep and the corresponding model parameters determined from conventional creep tests. The constitutive model of creep wss formulated through application of principles involved in micromechanical modeling. It was possible, at minimum, to obtain the steady state parameters of the creep model from the data on the domal salts. When this was done, the creep of the domal salts, as compared to the well-defined Waste Isolation Pilot Plant (WIPP) bedded clean salt, was either essentially identical to, or significantly harder (more creep resistant) than WIPP salt. Interestingly, the domal salts form two distinct groups, either sofl or hard, where the difference is roughly a factor often in creep rate between the twcl groups. As might be expected, this classification corresponds quite well to the differences in magnitude of effective creep volume losses of the Strategic Petroleum Reserve (SPR) caverns as determined by the CAVEMAN cavern pressure history analysis, depending upon the specific dome or region within the dome. Creep response shoulcl also correlate to interior cavern conditions that produce salt falls. WMle, in general, the caverns in hard sah have a noticeably greater propensity for salt falls, a smaller number of similar events are exhibited even in the caverns in soft salt.

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Modeling Requirements for Simulating the Effects of Extreme Acts of Terrorism: A White Paper

Pryor, Richard J.

This white paper presents the initial requirements for developing a new computer model for simulating the effects of extreme acts of terrorism in the United States. General characteristics of the model are proposed and the level of effort to prepare a complete written description of the model, prior to coding, is detailed. The model would simulate the decision processes and interactions of complex U. S. systems engaged in responding to and recovering from four types of terrorist incidents. The incident scenarios span the space of extreme acts of terrorism that have the potential to affect not only the impacted area, but also the entire nation. The model would be useful to decision-makers in assessing and analyzing the vulnerability of the nation's complex infrastructures, in prioritizing resources to reduce risk, and in planning strategies for immediate response and for subsequent recovery from terrorist incidents.

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