Publications

The trend in commercial electronics packaging to deliver ever smaller component packaging has enabled the development of new highly integrated modules meeting the demands of the next generation nano satellites. At under ten kilograms, these nano satellites will require both a greater density electronics and a melding of satellite structure and function. Better techniques must be developed to remove the subsequent heat generated by the active components required to-meet future computing requirements. Integration of commercially available electronics must be achieved without the increased costs normally associated with current generation multi chip modules. In this paper we present a method of component integration that uses silicon heat pipe technology and advanced flexible laminate circuit board technology to achieve thermal control and satellite structure. The' electronics/heat pipe stack then becomes an integral component of the spacecraft structure. Thermal management on satellites has always been a problem. The shrinking size of electronics and voltage requirements and the accompanying reduction in power dissipation has helped the situation somewhat. Nevertheless, the demands for increased onboard processing power have resulted in an ever increasing power density within the satellite body. With the introduction of nano satellites, small satellites under ten kilograms and under 1000 cubic inches, the area available on which to place hot components for proper heat dissipation has dwindled dramatically. The resulting satellite has become nearly a solid mass of electronics with nowhere to dissipate heat to space. The silicon heat pipe is attached to an aluminum frame using a thermally conductive epoxy or solder preform. The frame serves three purposes. First, the aluminum frame provides a heat conduction path from the edge of the heat pipe to radiators on the surface of the satellite. Secondly, it serves as an attachment point for extended structures attached to the satellite such as solar panels, radiators, antenna and.telescopes (for communications or sensors). Finally, the packages make thermal contact to the surface of the silicon heat pipe through soft thermal pads. Electronic components can be placed on both sides of the flexible circuit interconnect. Silicon heat pipes have a number of advantages over heat pipe constructed from other materials. Silicon heat pipes offer the ability to put the heat pipe structure beneath the active components of a processed silicon wafer. This would be one way of efficiently cooling the heat generated by wafer scale integrated systems. Using this technique, all the functions of a satellite could be reduced to a few silicon wafers. The integration of the heat pipe and the electronics would further reduce the size and weight of the satellite.

Abstract not provided.

Three-dimensional unstructured tetrahedral and hexahedral finite element mesh optimization is studied from a theoretical perspective and by computer experiments to determine what objective functions are most effective in attaining valid, high quality meshes. The approach uses matrices and matrix norms to extend the work in Part I to build suitable 3D objective functions. Because certain matrix norm identities which hold for 2 x 2 matrices do not hold for 3 x 3 matrices. significant differences arise between surface and volume mesh optimization objective functions. It is shown, for example, that the equivalence in two-dimensions of the Smoothness and Condition Number of the Jacobian matrix objective functions does not extend to three dimensions and further. that the equivalence of the Oddy and Condition Number of the Metric Tensor objective functions in two-dimensions also fails to extend to three-dimensions. Matrix norm identities are used to systematically construct dimensionally homogeneous groups of objective functions. The concept of an ideal minimizing matrix is introduced for both hexahedral and tetrahedral elements. Non-dimensional objective functions having barriers are emphasized as the most logical choice for mesh optimization. The performance of a number of objective functions in improving mesh quality was assessed on a suite of realistic test problems, focusing particularly on all-hexahedral ''whisker-weaved'' meshes. Performance is investigated on both structured and unstructured meshes and on both hexahedral and tetrahedral meshes. Although several objective functions are competitive, the condition number objective function is particularly attractive. The objective functions are closely related to mesh quality measures. To illustrate, it is shown that the condition number metric can be viewed as a new tetrahedral element quality measure.

Scanning probe microscopy (SPM) techniques are not suitable as global defect-localization tools. They can, however, pinpoint the exact location of the defects once the approximate locations of the defects have been identified by other failure analysis techniques. SPM techniques also provide information such as 3-D topology, current, surface potential, and 2-D dopant profile that may not be readily obtainable with other techniques. This information, coupled with the unparalleled spatial resolution and high detection sensitivity can be used by failure analysts for root cause analysis.

This paper reports the successful bonding of 8 x 8 and 4 x 4 VCSEL arrays to Si CMOS and GaAs MESFET integrated circuits and to GaAs substrates. Three different bonding techniques are demonstrated and their electrical, optical and mechanical characteristics are compared. All three techniques remove the substrate from the VCSEL wafer, leaving individual VCSELs bonded directly to locations within the integrated circuit.

In this paper, the authors quantify how communication increases the effective range of detection of unattended ground sensors. Statistical analysis used to evaluate the probability of detection for multiple sensors using one, two, and infinite levels of cooperation. levels of cooperation are defined as the levels of communication between sensors. One level of cooperation means that one sensor passes its state information to several other sensors within a limited communication range, but this information is not passed beyond this range. Two levels of cooperation means that the state information received by this first set of sensors is relayed to another set of sensors within their communication range. Infinite levels of cooperation means that the state information is further percolated out to all sensors within a communicating group. With large numbers of sensors, every sensor will have state information about every other sensor regardless of communication range. With smaller numbers of sensors, isolated groups may form, thus lowering the probability of information transfer.

Important factors in the application of chemical sensing technology to space applications are low mass, small size, and low power. All of these attributes are enabled by the application of MEMS and micro-fabrication technology to chemical sensing. Several Sandia projects that apply these technologies to the development of new chemical sensing capabilities with the potential for space applications will be described. The Polychromator project is a joint project with Honeywell and MIT to develop an electrically programmable diffraction grating that can be programmed to synthesize the spectra of molecules. This grating will be used as the reference cell in a gas correlation radiometer to enable remote chemical detection of most chemical species. Another area of research where micro-fabrication is having a large impact is the development of a lab on a chip. Sandia's efforts to develop the {mu}ChemLab{trademark} will be described including the development of microfabricated pre-concentrators, chromatographic columns, and detectors. Chemical sensors are evolving in the direction of sensor arrays with pattern recognition methods applied to interpret the pattern of response. Sandia's development of micro-fabricated chemiresistor arrays and the VERI pattern recognition technology to interpret the sensor response will be described.

The packaging of Micro-Electro-Mechanical Systems (MEMS) is a field of great importance to anyone using or manufacturing sensors, consumer products, or military applications. Currently much work has been done in the design and fabrication of MEMS devices but insufficient research and few publications have been completed on the packaging of these devices. This is despite the fact that packaging is a very large percentage of the total cost of MEMS devices. The main difference between IC packaging and MEMS packaging is that MEMS packaging is almost always application specific and greatly affected by its environment and packaging techniques such as die handling, die attach processes, and lid sealing. Many of these aspects are directly related to the materials used in the packaging processes. MEMS devices that are functional in wafer form can be rendered inoperable after packaging. MEMS dies must be handled only from the chip sides so features on the top surface are not damaged. This eliminates most current die pick-and-place fixtures. Die attach materials are key to MEMS packaging. Using hard die attach solders can create high stresses in the MEMS devices, which can affect their operation greatly. Low-stress epoxies can be high-outgassing, which can also affect device performance. Also, a low modulus die attach can allow the die to move during ultrasonic wirebonding resulting to low wirebond strength. Another source of residual stress is the lid sealing process. Most MEMS based sensors and devices require a hermetically sealed package. This can be done by parallel seam welding the package lid, but at the cost of further induced stress on the die. Another issue of MEMS packaging is the media compatibility of the packaged device. MEMS unlike ICS often interface with their environment, which could be high pressure or corrosive. The main conclusion we can draw about MEMS packaging is that the package affects the performance and reliability of the MEMS devices. There is a gross lack of understanding between the package materials, induced stress, and the device performance. The material properties of these packaging materials are not well defined or understood. Modeling of these materials and processes is far from maturity. Current post-package yields are too low for commercial feasibility, and consumer operating environment reliability and compatibility are often difficult to simulate. With further understanding of the materials properties and behavior of the packaging materials, MEMS applications can be fully realized and integrated into countless commercial and military applications.

It is likely that aging is affecting the radiation hardness of stockpile electronics, and we have seen apparent examples of aging that affects the electronic radiation hardness. It is also possible that low-level intrinsic radiation that is inherent during stockpile life will damage or in a sense age electronic components. Both aging and low level radiation effects on radiation hardness and stockpile reliability need to be further investigated by using both test and modeling strategies that include appropriate testing of electronic components withdrawn from the stockpile.

Procedures for identifying patterns in scatterplots generated in Monte Carlo sensitivity analyses are described and illustrated. These procedures attempt to detect increasingly complex patterns in scatterplots and involve the identification of (i) linear relationships with correlation coefficients, (ii) monotonic relationships with rank correlation coefficients, (iii) trends in central tendency as defined by means, medians and the Kruskal-Wallis statistic, (iv) trends in variability as defined by variances and interquartile ranges, and (v) deviations from randomness as defined by the chi-square statistic. A sequence of example analyses with a large model for two-phase fluid flow illustrates how the individual procedures can differ in the variables that they identify as having effects on particular model outcomes. The example analyses indicate that the use of a sequence of procedures is a good analysis strategy and provides some assurance that an important effect is not overlooked.

Probabilistic uncertainty is a phenomenon that occurs to a certain degree in many engineering applications. The effects that this uncertainty has upon a given system response are a matter of some concern. Techniques which provide insight to these effects will be required as modeling and prediction becomes a more vital tool in the engineering design process. The purpose of this paper is to outline a procedure to evaluate uncertainty in dynamic system response exploiting various numerical methods. Specifically, the goal is to attain the statistics of the response with minimal computational effort. Numerical interpolation and integration techniques are utilized in conjunction with the iterative form of the Advanced Mean Value (AMV+) method to efficiently and accurately estimate statistical moments of the response random process. A numerical example illustrating the use of this analytical tool in a practical framework is presented.

ATHEANA, a second-generation Human Reliability Analysis (HRA) method integrates advances in psychology with engineering, human factors, and Probabilistic Risk Analysis (PRA) disciplines to provide an HRA quantification process and PRA modeling interface that can accommodate and represent human performance in real nuclear power plant events. The method uses the characteristics of serious accidents identified through retrospective analysis of serious operational events to set priorities in a search process for significant human failure events, unsafe acts, and error-forcing context (unfavorable plant conditions combined with negative performance-shaping factors). ATHEANA has been tested in a demonstration project at an operating pressurized water reactor.

Nanostructured particles exhibiting well-defined pore sizes and pore connectivities (1-, 2-, or 3-dimensional) are of interest for catalysis, chromatography, controlled release, low dielectric constant fillers, and custom-designed pigments and optical hosts. During the last several years considerable progress has been made on controlling the macroscopic forms of mesoporous silicas prepared by surfactant and block copolymer liquid crystalline templating procedures. Typically interfacial phenomena are used to control the macroscopic form (particles, fibers, or films), while self-assembly of amphiphilic surfactants or polymers is used to control the mesostructure. To date, although a variety of spherical or nearly-spherical particles have been prepared, their extent of order is limited as is the range of attainable mesostructures. They report a rapid, aerosol process that results in solid, completely ordered spherical particles with stable hexagonal, cubic, or vesicular mesostructures. The process relies on evaporation-induced interfacial self-assembly (EISA) confined to a spherical aerosol droplet. The process is simple and generalizable to a variety of materials combinations. Additionally, it can be modified to provide the first aerosol route to the formation of ordered mesostructured films.

In two recent publications relativistic electron flow in cylindrical magnetically-insulated transmission lines (MITL) was analyzed and modeled under the assumption of negligible electron pressure. Cylindrical MITLs were used because of their common occurrence, and because they are the simplest case of finite width. The authors show in this report that the models apply equally to MITLs of any cross section.

The role of hydrogen in enhancing the photoluminescence (PL) yield observed from Si nanocrystals embedded in SiO{sub 2} has been studied. SiO{sub 2} thermal oxides and bulk fused silica samples have been implanted with Si and subsequently annealed in various ambients including hydrogen or deuterium forming gases (Ar+4%H{sub 2} or Ar+4%D{sub 2}) or pure Ar. Results are presented for annealing at temperatures between 200 and 1100 C. Depth and concentration profiles of H and D at various stages of processing have been measured using elastic recoil detection. Hydrogen or deuterium is observed in the bulk after annealing in forming gas but not after high temperature (1100 C) anneals in Ar. The presence of hydrogen dramatically increases the broad PL band centered in the near-infrared after annealing at 1100 C but has almost no effect on the PL spectral distribution. Hydrogen is found to selectively trap in the region where Si nanocrystals are formed, consistent with a model of H passivating surface states at the Si/SiO{sub 2} interface that leads to enhanced PL. The thermal stability of the trapped H and the PL yield observed after a high temperature anneal have been studied. The hydrogen concentration and PL yield are unchanged for subsequent anneals up to 400 C. However, above 400 C the PL decreases and a more complicated H chemistry is evident. Similar concentrations of H or D are trapped after annealing in H{sub 2} or D{sub 2} forming gas; however, no differences in the PL yield or spectral distribution are observed, indicating that the electronic transitions resulting in luminescence are not dependent on the mass of the hydrogen species.

The effect of excluded volume on the coil size of dilute linear polymers was investigated by off-lattice Monte Carlo simulations. The radius of gyration R{sub g} was evaluated for a wide range of chain lengths at several temperatures and at the athermal condition. The theta temperature and the corresponding theta chain dimensions were established for the system, and the dependence of the size expansion factor, a{sub s} = R{sub g} /(R{sub g}){sub {theta}}, on chain length N and temperature T was examined. For long chains and at high temperatures, a{sub s} is a function of N/N{sub s}{sup 2} alone, where the length scale N{sub s}{sup 2} depends only on T. The form of this simulations-based master function compares favorably with {alpha}{sub s}(M/M{sub s}{sup 2}), an experimental master curve for linear polymers in good solvents, where M{sub s}{sup 2} depends only on polymer-solvent system. Comparisons when N{sub s}{sup 2}(T) and M{sub s}{sup 2}(system) are reduced to common units, numbers of Kuhn steps, strongly indicate that coil expansion in even the best of good solvents is small relative to that expected for truly athermal solutions. An explanation for this behavior is proposed, based on what would appear to be an inherent difference in the equation of state properties for polymeric and monomeric liquids.

Electronic absorption and resonance Raman (RR) spectra of the ferric form of barley grain peroxidase (BP 1) at various pH values both at room temperature and 20 K are . reported, together with EPR spectra at 10 K. The ferrous forms and the ferric complex with fluoride have also been studied. A quantum mechanically mixed-spin (QS) state has been identified. The QS heme species co-exists with 6- and 5-cHS heroes; the relative populations of these three spin states are found to be dependent on pH and temperature. However, the QS species remains in all cases the dominant heme spin species. Barley peroxidase appears to be further characterized by a splitting of the two vinyl stretching modes, indicating that the vinyl groups are differently conjugated with the porphyrin. An analysis of the presently available spectroscopic data for proteins from all three peroxidase classes suggests that the simultaneous occurrence of the QS heme state as well as the splitting of the two vinyl stretching modes is confined to class III enzymes. The former point is discussed in terms of the possible influences of heme deformations on heme spin state. It is found that moderate saddling alone is probably not enough to cause the QS state, although some saddling maybe necessary for the QS state.

Nanosatellite space launches could significantly benefit from an electrically powered launch complex, based on an electromagnetic coil launcher. This paper presents results of studies to estimate the required launcher parameters and some fixed facility issues. This study is based on electromagnetic launch, or electromagnetic gun technology, which is constrained to a coaxial geometry to take advantage of the efficiency of closely-coupled coils. A baseline configuration for analysis considers a payload mass of 10 kg, launch velocity of 6 km/s, a second stage solid booster for orbital insertion, and a payload fraction of about 0.1. The launch facility is envisioned as an inclined track, 1-2 km in length, mounted on a hillside at 25 degrees aimed in the orbital inclination of interest. The launcher energy and power requirements fall in the range of 2000 MJ and 2 MW electric. This energy would be supplied by 400 modules of energy storage and magnetic coils. With a prime power generator of 2 MW, a launch rate of some 200 satellites per day is possible. The launch requires high acceleration, so the satellite package must be hardened to launch acceleration on the order of 1000 gee. Parametric evaluations compare performance parameters for a launcher length of 1-2 km, exit velocity of 4-8 km/s, and payloads of 1-100 kg. The EM launch complex could greatly reduce the amount of fuels handling, reduce the turn-around time between launches, allow more concurrence in launch preparation, reduce the manpower requirements for launch vehicle preparation and increase the reliability of launch by using more standardized vehicle preparations. Most importantly, such a facility could reduce the cost per launch and could give true launch-on-demand capability for nanosatellites.

Detailed materials evaluations have been performed for MC2969 Intent Stronglink switch monitor circuit parts returned from the field out of retired weapon systems. Evaluations of local contact resistance, surface chemical composition and surface roughness and wear have been determined as a function of component level contact loop resistance testing position. Several degradation mechanisms have been identified and correlated with the component level measurements. Operational degradation produces surface smoothing and wear with each actuation of the monitor circuit, while aging degradation is observed in the segregation of contaminant species and alloy constituent elements to the surface in the stressed wear regions.

The Waste Isolation Pilot Plant (WIPP) is a US Department of Energy (DOE) facility for the permanent disposal of transuranic waste from defense activities. In 1996, the DOE submitted the Title 40 CFR Part 191 Compliance Certification Application for the Waste Isolation Pilot Plant (CCA) to the US Environmental Protection Agency (EPA). The CCA included a probabilistic performance assessment (PA) conducted by Sandia National Laboratories to establish compliance with the quantitative release limits defined in 40 CFR 191.13. An experimental program to collect data relevant to the actinide source term began around 1989, which eventually supported the 1996 CCA PA actinide source term model. The actinide source term provided an estimate of mobile dissolved and colloidal Pu, Am, U, Th, and Np concentrations in their stable oxidation states, and accounted for effects of uncertainty in the chemistry of brines in waste disposal areas. The experimental program and the actinide source term included in the CCA PA underwent EPA review lasting more than 1 year. Experiments were initially conducted to develop data relevant to the wide range of potential future conditions in waste disposal areas. Interim, preliminary performance assessments and actinide source term models provided insight allowing refinement of experiments and models. Expert peer review provided additional feedback and confidence in the evolving experimental program. By 1995, the chemical database and PA predictions of WIPP performance were considered reliable enough to support the decision to add an MgO backfill to waste rooms to control chemical conditions and reduce uncertainty in actinide concentrations, especially for Pu and Am. Important lessons learned through the characterization, PA modeling, and regulatory review of the actinide source term are (1) experimental characterization and PA should evolve together, with neither activity completely dominating the other, (2) the understanding of physical processes required to develop conceptual models is greater than can be represented in PA models, (3) experimentalists should be directly involved in model and parameter abstraction and simplification for PA, and (4) external expert review should be incorporated early in a project to increase confidence long before regulatory reviews begin.

Under the sponsorship of the Ministry of International Trade and Industry (MITI) of Japan, the Nuclear Power Engineering Corporation (NUPEC) is investigating the seismic behavior of a Reinforced Concrete Containment Vessel (RCCV) through scale-model testing using the high-performance shaking table at the Tadotsu Engineering Laboratory. A series of tests representing design-level seismic ground motions was initially conducted to gather valuable experimental measurements for use in design verification. Additional tests will be conducted with increasing amplifications of the seismic input until a structural failure of the test model occurs. In a cooperative program with NUPEC, the US Nuclear Regulatory Commission (USNRC), through Sandia National Laboratories (SNL), is conducting analytical research on the seismic behavior of RCCV structures. As part of this program, pretest analytical predictions of the model tests are being performed. The dynamic time-history analysis utilizes a highly detailed concrete constitutive model applied to a three-dimensional finite element representation of the test structure. This paper describes the details of the analysis model and provides analysis results.

Predictive models of solid lubricant performance are needed to determine the dynamic behavior of electromechanical devices after long periods of storage. X-ray photoelectron spectroscopy has been used to determine the kinetics of oxidation and sulfate formation for solid lubricants and self-lubricating materials containing MoS{sub 2}, exposed to a variety of oxidation conditions. The frictional performance of the lubricant has then been determined as a fi.mction of its surface chemistry and the ambient environment in which sliding takes place. Results indicate that surface sulfate formation governs the initial or start-up friction coefficient of MoS{sub 2}-containing films, while the composition of the ambient gas determines the steady-state friction coefficient. The dependence of the steady-state friction coefficient on the environment in which sliding takes place has been examined, and the results show that dynamic oxidation of surfaces having exposed metal has a major impact on friction. Surface oxidation is also shown to influence the frictional behavior of a self-lubricating composite material containing MoS{sub 2}.

The use of {sup 17}O NMR spectroscopy as a tool to investigate aging in polymer systems has recently been demonstrated. Because the natural abundance of {sup 17}O is extremely low (0.037%), the use of labeled {sup 17}O{sub 2} during the oxidation of polymers produces {sup 17}O NMR spectra whose signals arise entirely from the degradation species (i.e. signals from the bulk or unaged material are not observed). This selective isotopic labeling eliminates the impact of interference from the unaged material, cause (1) above. As discussed by Alam et al. spectral overlap between different degradation species as well as errors in quantification remains a major difficulty in {sup 17}O NMR spectroscopy. As a demonstration of the DECRA and CTBSA methods, relaxation matrices obtained from {sup 17}O NMR for model alcohol systems are evaluated. The benefits and limitations of these newly developed chemometric techniques are discussed.

A multi-attribute utility analysis is applied to a decision process to select a treatment method for the management of aluminum-based spent nuclear fuel (Al-SNF) owned by the US 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-SNF to a geologic repository for permanent disposal. DOE initially considered ten treatment alternatives for the management of Al-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 formal decision process used to evaluate these two remaining alternatives.

The author demonstrates the Border Trade Facilitation System (BTFS), an agent-based bilingual e-commerce system built to expedite the regulation, control, and execution of commercial trans-border shipments during the delivery phase. The system was built to serve maquila industries at the US/Mexican border. The BTFS uses foundation technology developed here at Sandia Laboratories' Advanced Information Systems Lab (AISL), including a distributed object substrate, a general-purpose agent development framework, dynamically generated agent-human interaction via the World-Wide Web, and a collaborative agent architecture. This technology is also the substrate for the Multi-Agent Simulation Management System (MASMAS) proposed for demonstration at this conference. The BTFS executes authenticated transactions among agents performing open trading over the Internet. With the BTFS in place, one could conduct secure international transactions from any site with an Internet connection and a web browser. The BTFS is currently being evaluated for commercialization.

The quantum confined Stark effect was found to result in a strong quantum well width dependence of threshold current density in strained group-III nitride quantum well lasers. For an In{sub 0.2}Ga{sub 0.8}N/GaN structure with quantum well width in the neighborhood of 3.5nm, our analysis shows that the reduction in spontaneous emission loss by the electron-hole spatial separation outweighs the corresponding reduction in gain to produce a threshold current density minimum.

Many types of integrated and discrete microelectronic devices exist in the enduring stockpile. In the past, most of these devices have used conventional ceramic hermetic packaging (CHP) technology. Sometime in the future, plastic encapsulated microelectronic (PEM) devices will almost certainly enter the inventory. In the presence of moisture, several of the aluminum-containing metallization features common to both types of packaging become susceptible to atmospheric corrosion (Figure 1). A breach in hermeticity (e.g., due to a crack in the ceramic body or lid seal) could allow moisture and/or contamination to enter the interior of a CHP device. For PEM components, the epoxy encapsulant material is inherently permeable to moisture. A multi-year project is now underway at Sandia to develop the knowledge base and analytical tools needed to quantitatively predict the effect of corrosion on microelectronic performance and reliability. The issue of corrosion-induced failure surfaced twice during the past year because cracks were found in their ceramic bodies of two different CHP devices: the SA371 1/3712 MOSFET and the SA3935 ASIC (acronym for A Simple Integrated Circuit). Because of our inability to perform a model-based prediction at that time, the decision was made to determine the validity of the corrosion concern for these specific situations by characterizing the expected environment and assessing its relative degree of corrosivity. The results of this study are briefly described in this paper along with some of the advancements made with the predictive model development.

We have been working for many years to develop better methods for predicting the lifetimes of polymer materials. Because of the recent interest in extending the lifetimes of nuclear weapons and the importance of environmental seals (o-rings, gaskets) for protecting weapon interiors against oxygen and water vapor, we have recently turned our attention to seal materials. Perhaps the most important environmental o-ring material is butyl rubber, used in various military applications. Although it is the optimum choice from a water permeability perspective, butyl can be marginal from an aging point-of-view. The purpose of the present work was to derive better methods for predicting seal lifetimes and applying these methods to an important butyl material, Parker compound B6 12-70.

The Container Analysis Fire Environment computer code (CAFE) is intended to provide Type B package designers with an enhanced engulfing fire boundary condition when combined with the PATRAN/P-Thermal commercial code. Historically an engulfing fire boundary condition has been modeled as {sigma}T{sup 4} where {sigma} is the Stefan-Boltzman constant, and T is the fire temperature. The CAFE code includes the necessary chemistry, thermal radiation, and fluid mechanics to model an engulfing fire. Effects included are the local cooling of gases that form a protective boundary layer that reduces the incoming radiant heat flux to values lower than expected from a simple {sigma}T{sup 4} model. In addition, the effect of object shape on mixing that may increase the local fire temperature is included. Both high and low temperature regions that depend upon the local availability of oxygen are also calculated. Thus the competing effects that can both increase and decrease the local values of radiant heat flux are included in a reamer that is not predictable a-priori. The CAFE package consists of a group of computer subroutines that can be linked to workstation-based thermal analysis codes in order to predict package performance during regulatory and other accident fire scenarios.

A GaN/AlGaN heterojunction bipolar transistor structure with Mg doping in the base and Si Doping in the emitter and collector regions was grown by Metal Organic Chemical Vapor Deposition in c-axis Al(2)O(3). Secondary Ion Mass Spectrometry measurements showed no increase in the O concentration (2-3x10(18) cm(-3)) in the AlGaN emitter and fairly low levels of C (~4-5x10(17) cm (-3)) throughout the structure. Due to the non-ohmic behavior of the base contact at room temperature, the current gain of large area (~90 um diameter) devices was <3. Increasing the device operating temperature led to higher ionization fractions of the mg acceptors in the base, and current gains of ~10 were obtained at 300 degree C.

The relative density of BCl radicals has been measured in a modified Applied Materials DPS metal etch chamber using laser-induced fluorescence. In plasmas containing mixtures of BCl{sub 3} with Cl{sub 2}, Ar and/or N{sub 2}, the relative BCl density was measured as a function of source and bias power, pressure, flow rate, BCl{sub 3}/Cl{sub 2} ratio and argon addition. To determine the influence of surface materials on the bulk plasma properties, the relative BCl density was measured using four different substrate types; aluminum, alumina, photoresist, and photoresist-patterned aluminum. In most cases, the relative BCl density was highest above photoresist-coated wafers and lowest above blanket aluminum wafers. The BCl density increased with increasing source power and the ratio of BCl{sub 3} to Cl{sub 2}, while the addition of N{sub 2} to a BCl{sub 3}/Cl{sub 2} plasma resulted in a decrease in BCl density. The BCl density was relatively insensitive to changes in the other plasma parameters.

This paper identifies and explores the technical requirements and issues associated with remotely monitoring continuous wave (CW) sources with seismic arrays. Potential approaches to this monitoring problem will be suggested and partially evaluated to expose the monitoring challenges which arise when realistic local geologies and cultural noise sources are considered. The selective directionality and the adaptive noise cancellation properties of arrays are required to observe weak signals while suppressing a colored background punctuated with an unknown distribution of point and sometimes distributive sources. The array is also required to characterize the emitters and propagation environment so as to properly focus on the CW sources of interest while suppressing the remaining emitters. The proper application of arrays requires an appreciation of the complexity of propagation in a non-homogeneous earth. The heterogeneity often limits the available spatial coherence and therefore the size of the army. This adversely impacts the array gain and the array's ability to carefully resolve various emitters. Arrays must also contend with multipath induced by the source and the heterogeneous earth. If the array is to focus on an emitter and realize an enhancement in the signal to noise ratio, methods must be sought to coherently add the desired signal components while suppressing interference which may be correlated with the desired signal. The impact of these and other issues on army design and processing are described and discussed.

Sandia is manufacturing CMOS ICs with 0.5 {micro}m LOCOS and shallow trench isolation (STI) technologies and is developing a 0.35 {micro}m SOI technology. A program based on burn-in and life tests is being used to qualify the 0.5 {micro}m technologies for delivery of high reliability ICs to customers for military and space applications. Representative ICs from baseline wafer lots are assembled using a high reliability process with multilayer hermetic, ceramic packages. These ICs are electrically tested before, during, and after burn-in and subsequent 1000 hour dynamic and static life tests. Two types of ICS are being used for this qualification, a 256K bit SRAM and a Microcontroller Core (MCC). Over 600 ICs have successfully completed these qualification tests, resulting in a failure rate estimate of less than 4 FITS for satellite applications. Recently, a group of SRAMS from a development wafer lot incorporating nonqualified processes of the 0.5 {micro}m LOCOS technology had an unusually high number of failures during the initial electrical test after packaging. The investigation of these failures is described.

Abstract not provided.

Silicide Schottky contacts can be as large as 0.955 eV (E{sub v} + 0.165 eV) on n-type silicon and as large as 1.05 eV (E{sub c} {minus} 0.07 eV) on p-type silicon. Current models of Schottky barrier formation do not provide a satisfactory explanation of occurrence of this wide variation. A model for understanding Schottky contacts via screened pinning at defect levels is presented. In the present paper it is shown that most transition metal silicides are pinned approximately 0.48 eV above the valence band by interstitial Si clusters. Rare earth disilicides pin close to the divacancy acceptor level 0.41 eV below the conduction band edge while high work function silicides of Ir and Pt pin close to the divacancy donor level 0.21 eV above the valence band edge. Selection of a particular defect pinning level depends strongly on the relative positions of the silicide work function and the defect energy level on an absolute energy scale.

Recent space experience has shown that the use of commercial optocouplers can be problematic in spacecraft, such as TOPEX/Poseidon, that must operate in significant radiation environments. Radiation--induced failures of these devices have been observed in space and have been further documented at similar radiation doses in the laboratory. The ubiquitous use of optocouplers in spacecraft systems for a variety of applications, such as electrical isolation, switching and power transfer, is indicative of the need for optocouplers that can withstand the space radiation environment. In addition, the distributed nature of their use implies that it is not particularly desirable to shield optocouplers for use in radiation environments. Thus, it will be important for the space community to have access to radiation hardened/tolerant optocouplers. For many microelectronic and photonic devices, it is difficult to achieve radiation hardness without sacrificing performance. However, in the case of optocouplers, one should be able to achieve both superior radiation hardness and performance for such characteristics as switching speed, current transfer ratio (CTR), minimum power usage and array power transfer, if standard light emitting diodes (LEDs), such as those in the commercial optocouplers mentioned above, are avoided, and VCSELs are employed as the emitter portion of the optocoupler. The physical configuration of VCSELs allows one to achieve parallel use of an array of devices and construct a multichannel optocoupler in the standard fashion with the emitters and detectors looking at each other. In addition, detectors similar in structure to the VCSELs can be fabricated which allows bidirectional functionality of the optocoupler. Recent discussions suggest that VCSELs will enjoy widespread applications in the telecommunications and data transfer fields.

Recent attention has been given to the deployment of an adaptable sensor array realized by multi-robotic systems. Our group has been studying the collective behavior of autonomous, multi-agent systems and their applications in the area of remote-sensing and emerging threats. To accomplish such tasks, an interdisciplinary research effort at Sandia National Laboratories are conducting tests in the fields of sensor technology, robotics, and multi-robotic and multi-agents architectures. Our goal is to coordinate a constellation of point sensors that optimizes spatial coverage and multivariate signal analysis using unmanned robotic vehicles (e.g., RATLERs, Robotic All-ten-sin Lunar Exploration Rover-class vehicles). Overall design methodology is to evolve complex collective behaviors realized through simple interaction (kinetic) physics and artificial intelligence to enable real-time operational responses to emerging threats. This paper focuses on our recent work understanding the dynamics of many-body systems using the physics-based hydrodynamic model of lattice gas automata. Three design features are investigated. One, for single-speed robots, a hexagonal nearest-neighbor interaction topology is necessary to preserve standard hydrodynamic flow. Two, adaptability, defined by the swarm's deformation rate, can be controlled through the hydrodynamic viscosity term, which, in turn, is defined by the local robotic interaction rules. Three, due to the inherent non-linearity of the dynamical equations describing large ensembles, development of stability criteria ensuring convergence to equilibrium states is developed by scaling information flow rates relative to a swarm's hydrodynamic flow rate. An initial test case simulates a swarm of twenty-five robots that maneuvers past an obstacle while following a moving target. A genetic algorithm optimizes applied nearest-neighbor forces in each of five spatial regions distributed over the simulation domain. Armed with knowledge, the swarm adapts by changing state in order to avoid the obstacle. Simulation results are qualitatively similar to lattice gas.

An interferometric technique has been developed for non-destructive, high-confidence, in-situ determination of material properties in MEMS. By using interferometry to measure the full deflection curves of beams pulled toward the substrate under electrostatic loads, the actual behavior of the beams has been modeled. No other method for determining material properties allows such detailed knowledge of device behavior to be gathered. Values for material properties and non-idealities (such as support post compliance) have then been extracted which minimize the error between the measured and modeled deflections. High accuracy and resolution have been demonstrated, allowing the measurements to be used to enhance process control.

The characteristics of a piezoresistive accelerometer in shock environments have been studied at Sandia National Laboratories (SNL) in the Mechanical Shock Testing Laboratory for ten years The SNL Shock Laboratory has developed a capability to characterize accelerometers and other transducers with shocks aligned with the transducer's sensing axis and perpendicular to the transducer's sensing axis. This unique capability includes Hopkinson bars made of aluminum, steel, titanium, and beryllium. The bars are configured as both single and split Hopkinson bars. Four different areas that conclude this study are summarized in this paper: characterization of the cross-axis response of the accelerometer in the four environments of static compression, static strain on a beam, dynamic strain, and mechanical shock, the accelerometer's response on a titanium Hopkinson bar with two 45{degree} flats on the end of the bar; failure analysis of the accelerometer; and measurement of the accelerometer's self-generating cable response in a shock environment.

This paper summarizes recent progress in the development of back-contact crystalline-silicon (c-Si) solar cells and modules at Sandia National Laboratories. Back-contact cells have potentially improved efficiencies through the elimination of grid obscuration and allow for significant simplifications in the module assembly process. Optimization of the process sequence has improved the efficiency of our back-contact cell (emitter wrap through) from around 12% to near 17% in the past 12 months. In addition, recent theoretical work has elucidated the device physics of emitter wrap-through cells. Finally, improvements in the assembly processing back-contact cells are described.

An analytical solution for large deflections of a clamped circular diaphragm with built-in stress is presented. The solution is directly applicable to micromachined pressure sensors. The solution is compared to finite element analysis results and experimental data from a surface-micromachined pressure sensor.

Abstract not provided.

The isochronal anneal technique used to predict isothermal anneal behavior of MOS devices is analyzed as a function of experimental parameters. The effects of detrapping of trapped holes and compensating electrons are discussed.

A hand-held chemical laboratory ({mu}ChemLab) is being developed that utilizes a silicon- nitride-supported microhotplate in the front-end, gas sampling and preconcentration stage. Device constraints include low-power (<200mW at 5V), rapid heating (<20msec), and a relatively uniform temperature distribution throughout the heated area ({approximately}3mm{sup 2}). To optimize for these criteria, the electro-thermal behavior of the microhotplate was modeled using Thermal Analysis System (TAS). Predicted steady-state and transient behavior agree well with infrared (IR) microscope data and measured transient response for a low-stress silicon nitride thermal conductivity of k{sub n} = 6.4 x 10{sup {minus}2} W x (cm x {degree}C){sup {minus}1} and a convection coefficient of h{sub cv} = 3.5 x 10{sup {minus}3} W x (cm{sup 2} x {degree}C){sup {minus}1}. The magnitude of h{sub cv} is framed in the context of vacuum measurements and empirical data. Details and limitations of the IR measurement are discussed. Finally, the efficacy of methods for reducing thermal gradients in the microhotplate's active area is presented.

This paper presents an approach for treating uncertainty in the performance assessment process to efficiently address regulatory performance objectives for radioactive waste disposal and discusses the application of the approach at the Greater Confinement Disposal site. In this approach, the performance assessment methodology uses probabilistic risk assessment concepts to guide effective decisions about site characterization activities and provides a path toward reasonable assurance regarding regulatory compliance decisions. Although the approach is particularly amenable to requirements that are probabilistic in nature, the approach is also applicable to deterministic standards such as the dose-based and concentration-based requirements.

An oscillator technology using surface acoustic wave delay lines integrated with GaAs MESFET electronics has been developed for GaAs-based integrated microsensor applications. The oscillator consists of a two-port SAW delay line in a feedback loop with a four-stage GaAs MESFET amplifier. Oscillators with frequencies of 470, 350, and 200 MHz have been designed and fabricated. These oscillators are also promising for other RF applications.

XTX8003 is an extrudable explosive composed of 80% PETN and 20% Sylgard 182 (polydimethylsiloxane). Knowledge of the aging characteristics of XTX8003 is desired to understand the relationship between chemical and physical changes and performance. This understanding will allow improved assessment of the current state and also projected lifetime of components that contain this material. A literature search revealed few published studies of the aging behavior of XTX8003 or a chemically similar material, LX-13. Two studies showed that detonation velocity had decreased after storage at 70 C for two years. Another study showed a 30% decrease in target penetration by conical shaped charge after 12 weeks of storage at 82 C. Only one study was found which evaluated chemical and physical changes, but no information was available to correlate performance degradation to chemical and physical changes in the material. In summary, the major changes seen in aged XTX8003 are in detonation velocity and particle morphology, but particle morphology does not appear to be the determining factor in the loss of detonation velocity. The study will continue at least 24 months, at which time the data will be evaluated to determine how best to continue with the remaining test samples.

In a construction project, the contractor and the owner each have a responsibility for ensuring the health and safety of personnel on a project site. The contractor has the responsibility for ensuring that the provisions of OSHA'S safety and health regulations are followed and that the work is conducted in a safe and well thought out manner (Kohn 1996). The owner has a responsibility for disclosing to the contractor those owner-controlled hazards that are present in the work area due to ongoing and past operations (OSHA 1997). With the owner taking an active role in disclosing the potential hazards, the contractor is able to account for, plan, and mitigate potential health and safety issues during the performance phase of the project. At Sandia National Laboratories, this disclosure is made early in the project through the use of processes developed specifically for this purpose.

Lynx is a high resolution, synthetic aperture radar (SAR) that has been designed and built by Sandia National Laboratories in collaboration with General Atomics (GA). Although Lynx may be operated on a wide variety of manned and unmanned platforms, it is primarily intended to be fielded on unmanned aerial vehicles. In particular, it may be operated on the Predator, I-GNAT, or Prowler II platforms manufactured by GA Aeronautical Systems, Inc. The Lynx production weight is less than 120 lb. and has a slant range of 30 km (in 4 mm/hr rain). It has operator selectable resolution and is capable of 0.1 m resolution in spotlight mode and 0.3 m resolution in stripmap mode. In ground moving target indicator mode, the minimum detectable velocity is 6 knots with a minimum target cross-section of 10 dBsm. In coherent change detection mode, Lynx makes registered, complex image comparisons either of 0.1 m resolution (minimum) spotlight images or of 0.3 m resolution (minimum) strip images. The Lynx user interface features a view manager that allows it to pan and zoom like a video camera. Lynx was developed under corporate finding from GA and will be manufactured by GA for both military and commercial applications. The Lynx system architecture will be presented and some of its unique features will be described. Imagery at the finest resolutions in both spotlight and strip modes have been obtained and will also be presented.

A novel approach to simulating the dominant dynamic processes present during concentrated energy beam welding of metals is presented. A model for transient behavior of the front keyhole wall is developed. It is assumed that keyhole propagation is dominated by evaporation recoil-driven melt expulsion from the beam interaction zone. Results from the model show keyhole instabilities consistent with experimental observations of metal welding, metal cutting and ice welding.

We have been working for many years to develop improved methods for predicting the lifetimes of polymers exposed to air environments and have recently turned our attention to seal materials. This paper describes an extensive study on a butyl material using elevated temperature compression stress-relaxation (CSR) techniques in combination with conventional oven aging exposures. The results initially indicated important synergistic effects when mechanical strain is combined with oven aging, as well as complex, non-Arrhenius behavior of the CSR results. By combining modeling and experiments, we show that diffusion-limited oxidation (DLO) anomalies dominate traditional CSR experiments. A new CSR approach allows us to eliminate DLO effects and recover Arrhenius behavior. Furthermore, the resulting CSR activation energy (E{sub a}) from 125 C to 70 C is identical to the activation energies for the tensile elongation and for the oxygen consumption rate of unstrained material over similar temperature ranges. This strongly suggests that the same underlying oxidation reactions determine both the unstrained and strained degradation rates. We therefore utilize our ultrasensitive oxygen consumption rate approach down to 23 C to show that the CSR E{sub a} likely remains unchanged when extrapolated below 70 C, allowing very confident room temperature lifetime predictions for the butyl seal.

The relationships between the extent of interfacial bonding, energy dissipation mechanisms, and fracture toughness in a glassy adhesive/inorganic solid joint are not well understood. We address this subject with a model system involving an epoxy adhesive on a polished silicon wafer containing its native oxide. The extent of interfacial bonding, and the wetting behavior of the epoxy, is varied continuously using self-assembling monolayers (SAMs) of octadecyltrichlorosilane (ODTS). The epoxy interacts strongly with the bare silicon oxide surface, but forms only a very weak interface with the methylated tails of the ODTS monolayer. We examine the fracture behavior of such joints as a function of the coverage of ODTS in the napkin-ring geometry. Various characterization methods are applied to the ODTS-coated surface before application of the epoxy, and to both surfaces after fracture. The fracture data are discussed with respect to the wetting of the liquid epoxy on the ODTS-coated substrates, the locus of failure, and the energy dissipation mechanisms. Our goal is to understand how energy is dissipated during fracture as a function of interface strength.

The Waste Isolation Pilot Plant (WIPP) is a mined repository constructed by the US Department of Energy for the permanent disposal of transuranic wastes generated since 1970 by activities related to national defense. The WIPP is located 42 km east of Carlsbad, New Mexico, in bedded salt (primarily halite) of the Late Permian (approximately 255 million years old) Salado Formation 655 m below the land surface. Characterization of the site began in the mid-1970s. Construction of the underground disposal facilities began in the early 1980s, and the facility received final certification from the US Environmental Protection Agency in May 1998. Disposal operations are planned to begin following receipt of a final permit from the State of New Mexico and resolution of legal issues. Like other proposed geologic repositories for radioactive waste, the WIPP relies on a combination of engineered and natural barriers to isolate the waste from the biosphere. Engineered barriers at the WIPP, including the seals that will be emplaced in the access shafts when the facility is decommissioned, are discussed in the context of facility design elsewhere in this volume. Physical properties of the natural barriers that contribute to the isolation of radionuclides are discussed here in the context of the physiographic, geologic, and hydrogeologic setting of the site.

Two-well convergent-flow tracer tests conducted in the Culebra dolomite (Rustler Formation, New Mexico, USA) are analyzed with both single-and multiple-rate, double-porosity models. Parameter estimation is used to determine the mean and standard deviation of a Iog- normal distribution of diffision rate coefficients as well as the advective porosity and longitudinal dispersivity. At two different test sites, both mukirate and single-rate models are capable of accurately modeling the observed data. Estimated model parameters are tested against breakthrough curves obtained along the same transport pathway at a different pumping rate. Implications of the rnultirate mass-transfer model at time and length scales greater than those of the tracer tests include the instantaneous saturation of a fraction of the matrix ~d the possibility of a fraction of the matrix remaining unsaturated at long times.

A single-well injection-withdrawal (SWIW) test is evaluated as a tool to differentiate between single- and double-porosity conceptualizations of a system. Results from single-porosity simulations incorporating plume drift are also compared to observed data from a recent series of SWIW tests conducted in a fractured dolomite unit, for which a double-porosity conceptualization has been proposed. We evaluate the difficulty of differentiating the response for a double-porosity conceptualization from that for a heterogeneous, single-porosity conceptualization incorporating plume drift. Results of sensitivity studies on multiple, stochastically generated, heterogeneous transmissivity fields indicate that to simulate extremely slow mass-recovery rates for a SWIW test with a single-porosity conceptualization, the following conditions must be present: plume drift, extreme heterogeneities (high {sigma}InT), and an unusual configuration of the high and low transmissivity regions relative to the well location. A compilation of existing data suggests that the high degree of heterogeneity necessary is rare at the SWIW test scale.The observed data from the SWIW tracer tests cannot be matched to numerical simulation results when a single-porosity conceptualization is assumed. A signature of significant drift is less than 100% mass recovery with a zero derivative with respect to time of the late-time normalized cumulative mass curve indicating mass transported outside the capture zone of the withdrawal well. To minimize the risk of misinterpretation, an important design feature for SWIW tests is the collection of late-time data so that percent total mass recovery can be calculated.

Abstract not provided.

Traveltimes of head waves propagating within a three-dimensional (3D) multilayered earth are described by straightforward mathematical formulae. The earth model consists of a set of homogeneous and isotropic layers bounded by plane interfaces. Each interface (including the surface) may possess arbitrary strike and dip. In this model, the source-to-receiver raypath of a critically refracted wave consists of a set of straight line segments, not confined to a single plane. Algebraic derivations of the traveltime expressions are greatly simplified by using a novel 3D form of Snell's law of refraction. Various generalizations of the basic traveltime equation extend its applicability to arbitrary source-receiver recording geometries and/or mode-converted waves. Related expressions for the traveltimes of reflected waves and one-way transmitted waves propagating in the same layered earth model are obtained as byproducts of the analysis. The expressions contain a set of unit raypath orientation vectors that depend implicitly on source and receiver coordinates. Hence, the equations cannot be characterized as closed-form in the mathematical sense. However, for critically refracted waves, these vectors can be obtained by a minimal amount of numerical raytracing. The traveltime formulae are useful for a variety of forward modeling and inversion purposes.

The rapidly increasing use of composites on commercial airplanes coupled with the potential for economic savings associated with their use in aircraft structures means that the demand for composite materials technology will continue to increase. Inspecting these composite structures is a critical element in assuring their continued airworthiness. The FAA's Airworthiness Assurance NDI Validation Center, in conjunction with the Commercial Aircraft Composite Repair Committee (CACRC), is developing a set of composite reference standards to be used in NDT equipment calibration for accomplishment of damage assessment and post-repair inspection of all commercial aircraft composites. In this program, a series of NDI tests on a matrix of composite aircraft structures and prototype reference standards were completed in order to minimize the number of standards needed to carry out composite inspections on aircraft. Two tasks, related to composite laminates and non-metallic composite honeycomb configurations, were addressed. A suite of 64 honeycomb panels, representing the bounding conditions of honeycomb construction on aircraft, were inspected using a wide array of NDI techniques. An analysis of the resulting data determined the variables that play a key role in setting up NDT equipment. This has resulted in a prototype set of minimum honeycomb reference standards that include these key variables. A sequence of subsequent tests determined that this minimum honeycomb reference standard set is able to fully support inspections over the fill range of honeycomb construction scenarios. Current tasks are aimed at optimizing the methods used to engineer realistic flaws into the specimens. In the solid composite laminate arena, we have identified what appears to be an excellent candidate, G11 Phenolic, as a generic solid laminate reference standard material. Testing to date has determined matches in key velocity and acoustic impedance properties, as well as, low attenuation relative to carbon laminates. Furthermore, comparisons of resonance testing response curves from the G11 Phenolic prototype standard was very similar to the resonance response curves measured on the existing carbon and fiberglass laminates. NDI data shows that this material should work for both pulse-echo (velocity-based) and resonance (acoustic impedance-based) inspections. Additional testing and industry review activities are underway to complete the validation of this material.

The usual divisions of science and technology into pure research applied research, development, demonstration, and production creates impediments for moving knowledge into socially useful products and services. This failing has been previously discussed without concrete suggestions of how to improve the situation. In the proposed framework the divisive and artificial distinctions of basic and applied are softened, and the complementary and somewhat overlapping roles of universities, corporations, and federal labs are clarified to enable robust partnerships. As a collegial group of scientists and technologists from industry, university, and government agencies and their national laboratories, we have worked together to clarify this framework. We offer the results in hopes of improving the results from investments in science and technology and thereby helping strengthen the social contract between the public and private investors and the scientists-technologists.

We have designed and fabricated a system using micromachining technologies that represents the first phase of an effort to develop a miniaturized or micro trajectory safety subsystem. Two Surface Micromachined (SMM) devices have been fabricated. The first is a device, denoted the Shuttle Mechanism, that contains a suspended shuttle that has a unique code imbedded in its surface. The second is a mechanical locking mechanism, denoted a Stronglink, that uses the code imbedded in the Shuttle Mechanism for unlocking. The Stronglink is designed to block a beam of optical energy until unlocked. A Photonic Integrated Circuit (PIC) fabricated in Gallium Arsenide (GaAs) and an ASIC have been designed to read the code contained in the Shuttle Mechanism. The ASIC interprets the data read by the PIC and outputs low-level drive signals for the actuators used by the Stronglink. An off-chip circuit amplifies the drive signals. Once the Stronglink is unlocked, a laser array that is assembled beneath the device is energized and light is transmitted through an aperture.

In this paper, a prototype robotic workcell for the parallel assembly of LIGA components is described. A Cartesian robot is used to press 386 and 485 micron diameter pins into a LIGA substrate and then place a 3-inch diameter wafer with LIGA gears onto the pins. Upward and downward looking microscopes are used to locate holes in the LIGA substrate, pins to be pressed in the holes, and gears to be placed on the pins. This vision system can locate parts within 3 microns, while the Cartesian manipulator can place the parts within 0.4 microns.

Recently, a model based on geographic information system (GIS) processing of US Census Block data has made high-resolution population analysis for transportation risk analysis technically and economically feasible. Population density bordering each kilometer of a route may be tabulated with specific route sections falling into each of three categories (Rural, Suburban or Urban) identified for separate risk analysis. In addition to the improvement in resolution of Urban areas along a route, the model provides a statistically-based correction to population densities in Rural and Suburban areas where Census Block dimensions may greatly exceed the 800-meter scale of interest. A semi-automated application of the GIS model to a subset of routes in Nevada (related to the Yucca Mountain project) are presented, and the results compared to previous models including a model based on published Census and other data. These comparisons demonstrate that meaningful improvement in accuracy and specificity of transportation risk analyses is dependent on correspondingly accurate and geographically-specific population density data.

Deep level defects in MOCVD-grown, unintentionally doped p-type InGaAsN films lattice matched to GaAs were investigated using deep level transient spectroscopy (DLTS) measurements. As-grown p-InGaAsN showed broad DLTS spectra suggesting that there exists a broad distribution of defect states within the band-gap. Moreover, the trap densities exceeded 10{sup 15} cm{sup {minus}3}. Cross sectional transmission electron microscopy (TEM) measurements showed no evidence for threading dislocations within the TEM resolution limit of 10{sup 7} cm{sup {minus}2}. A set of samples was annealed after growth for 1800 seconds at 650 C to investigate the thermal stability of the traps. The DLTS spectra of the annealed samples simplified considerably, revealing three distinct hole trap levels with energy levels of 0.10 eV, 0.23 eV, and 0.48 eV above the valence band edge with trap concentrations of 3.5 x 10{sup 14} cm{sup {minus}3}, 3.8 x 10{sup 14} cm {sup {minus}3}, and 8.2 x 10{sup 14} cm{sup {minus}3}, respectively. Comparison of as-grown and annealed DLTS spectra showed that post-growth annealing effectively reduced the total trap concentration by an order of magnitude across the bandgap. However, the concentration of a trap with an energy level of 0.48 eV was not affected by annealing indicating a higher thermal stability for this trap as compared with the overall distribution of shallow and deep traps.

We investigated multiple-rate diffusion as a possible explanation for observed behavior in a suite of single-well injection-withdrawal (SWIW) tests conducted in a fractured dolomite. We first investigated the ability of a conventional double-porosity model and a multirate diffusion model to explain the data. This revealed that the multirate diffusion hypothesis/model is most consistent with all available data, and is the only model to date that is capable of matching each of the recovery curves entirely. Second, we studied the sensitivity of the SWIW recovery curves to the distribution of diffusion rate coefficients and other parameters. We concluded that the SWIW test is very sensitive to the distribution of rate coefficients, but is relatively insensitive to other flow and transport parameters such as advective porosity and dispersivity. Third, we examined the significance of the constant double-log late-time slopes ({minus}2. 1 to {minus}2.8), which are present in several data sets. The observed late-time slopes are significantly different than would be predicted by either conventional double-porosity or single-porosity media, and are found to be a distinctive feature of multirate diffusion under SWIW test conditions. Fourth, we found that the estimated distributions of diffusion rate coefficients are very broad, with the distributions spanning a range of at least 3.6 to 5.7 orders of magnitude.

Synthetic Aperture Radars are coherent imaging systems that produce complex-valued images of the ground. Because modern systems can generate large amounts of data, there is substantial interest in applying image compression techniques to these products. In this paper, we examine the properties of complex-valued SAR images relevant to the task of data compression. We advocate the use of transform-based compression methods but employ radically different quantization strategies than those commonly used for incoherent optical images. The theory, methodology, and examples are presented.

Technology planning is relatively straightforward for well-established research and development (R and D) areas--those areas in which an organization has a history, the competitors are well understood, and the organization clearly knows where it is going with that technology. What we are calling the fuzzy front-end in this paper is that condition in which these factors are not well understood--such as for new corporate thrusts or emerging areas where the applications are embryonic. While strategic business planning exercises are generally good at identifying technology areas that are key to future success, they often lack substance in answering questions like: (1) Where are we now with respect to these key technologies? ... with respect to our competitors? (2) Where do we want or need to be? ... by when? (3) What is the best way to get there? In response to its own needs in answering such questions, Sandia National Laboratories is developing and implementing several planning tools. These tools include knowledge mapping (or visualization), PROSPERITY GAMES and technology roadmapping--all three of which are the subject of this paper. Knowledge mapping utilizes computer-based tools to help answer Question 1 by graphically representing the knowledge landscape that we populate as compared with other corporate and government entities. The knowledge landscape explored in this way can be based on any one of a number of information sets such as citation or patent databases. PROSPERITY GAMES are high-level interactive simulations, similar to seminar war games, which help address Question 2 by allowing us to explore consequences of various optional goals and strategies with all of the relevant stakeholders in a risk-free environment. Technology roadmapping is a strategic planning process that helps answer Question 3 by collaboratively identifying product and process performance targets and obstacles, and the technology alternatives available to reach those targets.

Microstructures in the reaction interface between molten Al and dense mullite have been studied by transmission electron microscopy to provide insight into mechanisms for forming ceramic-metal composites by reactive metal penetration. The reactions, which have the overall stoichiometry, 3Al{sub 6}Si{sub 2}O{sub 13} + (8 + x)Al {r_arrow} 13Al{sub 2}O{sub 3} + xAl + 6Si, were carried out at temperatures of 900, 1100, and 1200 C for 5 minutes and 60 minutes, and 1400 C for 15 minutes. Observed phases generally were those given in the above reaction, although their proportions and interfacial microstructure differed strongly with reaction temperature. After reaction at 900 C, a thin Al layer separated unreacted mullite from the {alpha}-Al{sub 2}O{sub 3} and Al reaction products. No Si phase was found near the reaction front. After 5 minutes at 1100 C, the reaction front contained Si, {alpha}-Al{sub 2}O{sub 3}, and an aluminum oxide phase with a high concentration of Si. After 60 minutes at 1100 C many of the {alpha}-Al{sub 2}O{sub 3} particles were needle-shaped with a preferred orientation. After reaction at 1200 C, the reaction front contained a high density of Si particles that formed a continuous layer over many of the mullite grains. The sample reacted at 1400 C for 15 minutes had a dense {alpha}-Al{sub 2}O{sub 3} reaction layer less than 2 {micro}m thick. Some isolated Si particles were present between the {alpha}-Al{sub 2}O{sub 3} layer and the unreacted mullite. Using previously measured reaction kinetics data the observed temperature dependence of the interfacial microstructure have been modeled as three sequential steps, each one of which is rate-limiting in a different temperature range.

Tungsten is a candidate material for the International Thermonuclear Experimental Reactor (ITER) as well as other future magnetic fusion energy devices. Tungsten is well suited for certain fusion applications in that it has a high threshold for sputtering as well as a very high melting point. As with all materials to be used on the inside of a tokamak or similar device, there is a need to know the behavior of hydrogen isotopes embedded in the material. With this need in mind, the Tritium Plasma Experiment (TPE) has been used to examine the retention of tritium in tungsten exposed to high fluxes of 100 eV tritons. Both tungsten and tungsten containing 1% lanthanum oxide were used in these experiments. Measurements were performed over the temperature range of 423-973 K. After exposure to the tritium the samples were transferred to an outgassing system containing an ionization chamber for detection of the tritium. The samples were outgassed using linear ramps from room temperature up to 1473 K. Unlike most other materials exposed to energetic tritium, the tritium retention in tungsten reaches a maximum at intermediate with low retention at both high and low temperatures. For the very high triton fluences used (>1025 T/m2), the fractional retention of the tritium was below 0.02% of the incident particles. This report presents not only the results of the tritium retention, but also includes the modeling of the results and the implication for ITER and other future fusion devices where tungsten is used.

Experiments were performed on Alcator C-Mod with electron cyclotron resonance (ECR) plasmas to help determine their applicability to a fusion reactor. Strong radial inhomogeneity of the plasma density was measured, decreasing by a factor of ten a few centimeters inside the resonance location, but remaining approximately constant (ne≈1016 m-3) outside the resonance location. Electron temperature remained mostly constant outside the resonance location, Te≈10 eV; ion temperature increased outside the resonance location from Ti≈2 eV to 10 eV. Toroidal asymmetries in ion saturation current density were observed, indicating local toroidal plasma flow. The ECR plasma was used to remove a diamond-like carbon coating from a stainless-steel sample. Removal rates peaked at 4.2±0.4 nm/h with the sample a few centimeters outside the resonance location. Removal rates decreased inside and further outside the resonance location. The plasma did not remove the carbon from the sample uniformly, possibly due to plasma flow. Yields were calculated (Y≈10-3) to be lower than other published results for chemical sputtering of deuterium ions on carbon, possibly due to toroidally asymmetric plasma conditions.

A family of uniform strain elements is presented for three-node triangular and four-node tetrahedral meshes. The elements use the linear interpolation functions of the original mesh, but each element is associated with a single node. As a result, a favorable constraint ratio for the volumetric response is obtained for problems in solid mechanics. The uniform strain elements do not require the introduction of additional degrees of freedom and their performance is shown to be significantly better than that of three-node triangular or four-node tetrahedral elements. In addition, nodes inside the boundary of the mesh are observed to exhibit superconvergent behavior for a set of example problems.

Deep level transient spectroscopy (DLTS) measurements were utilized to investigate deep level defects in metal-organic chemical deposition (MOCVD)-grown unintentionally doped p-type InGaAsN films lattice matched to GaAs. The as-grown material displayed a high concentration of deep levels distributed within the bandgap, with a dominant hole trap at E{sub v} + 0.10 eV. Post-growth annealing simplified the deep level spectra, enabling the identification of three distinct hole traps at 0.10 eV, 0.23 eV, and 0.48 eV above the valence band edge, with concentrations of 3.5 x 10{sup 14} cm{sup {minus}3}, 3.8 x 10{sup 14} cm{sup {minus}3}, and 8.2 x 10{sup 14} cm{sup {minus}3}, respectively. A direct comparison between the as-grown and annealed spectra revealed the presence of an additional midgap hole trap, with a concentration of 4 x 10{sup 14} cm{sup {minus}3} in the as-grown material. The concentration of this trap is sharply reduced by annealing, which correlates with improved material quality and minority carrier properties after annealing. Of the four hole traps detected, only the 0.48 eV level is not influenced by annealing, suggesting this level may be important for processed InGaAsN devices in the future.

Calculations can naturally be described as graphs in which vertices represent computation and edges reflect data dependencies. By partitioning the vertices of a graph, the calculation can be divided among processors of a parallel computer. However, the standard methodology for graph partitioning minimizes the wrong metric and lacks expressibility. We survey several recently proposed alternatives and discuss their relative merits.

It is shown how mobile H{sup +} ions can be generated thermally inside the oxide layer of Si/SiO{sub 2}/Si structures. The technique involves only standard silicon processing steps: the nonvolatile field effect transistor (NVFET) is based on a standard MOSFET with thermally grown SiO{sub 2} capped with a poly-silicon layer. The capped thermal oxide receives an anneal at {approximately}1100 C that enables the incorporation of the mobile protons into the gate oxide. The introduction of the protons is achieved by a subsequent 500-800 C anneal in a hydrogen-containing ambient, such as forming gas (N{sub 2}:H{sub 2} 95:5). The mobile protons are stable and entrapped inside the oxide layer, and unlike alkali ions, their space-charge distribution can be controlled and rapidly rearranged at room temperature by an applied electric field. Using this principle, a standard MOS transistor can be converted into a nonvolatile memory transistor that can be switched between normally on and normally off. Switching speed, retention, endurance, and radiation tolerance data are presented showing that this non-volatile memory technology can be competitive with existing Si-based non-volatile memory technologies such as the floating gate technologies (e.g. Flash memory).

A novel solution method has been developed to solve the coupled electron-photon transport problem on an unstructured triangular mesh. Instead of tackling the first-order form of the linear Boltzmann equation, this approach is based on the second-order form in conjunction with the conventional multi-group discrete-ordinates approximation. The highly forward-peaked electron scattering is modeled with a multigroup Legendre expansion derived from the Goudsmit-Saunderson theory. The finite element method is used to treat the spatial dependence. The solution method is unique in that the space-direction dependence is solved simultaneously, eliminating the need for the conventional inner iterations, a method that is well suited for massively parallel computers.

High-speed InGaP/GaAs heterojunction bipolar transistors (HBTs) for high-voltage circuit applications have been investigated. In order to obtain ideal IV characteristics, a lightly doped (N{sub DC} = 7.5 x 10{sup 15} cm{sup {minus}3}) thick (W{sub C} = 3.5 {micro}m) layer of GaAs was used as the collector layer. The devices fabricated have shown breakdown voltage exceeding 65 V. Device operated at up to a 60V bias, which is the highest operating voltage reported up to date for single heterojunction HBTs. Peak {line_integral}{sub T} and {line_integral}{sub MAX} values of 18 GHz and 29 GHz, respectively, have been achieved on a device with emitter area of 4x 12.5 {micro}m{sup 2}. Both {line_integral}{sub T} and {line_integral}{sub Max} degrades with higher bias, which is related to the elongation of the collector depletion width.

Abstract not provided.

MAPVAR, as was the case with its precursor programs, MERLIN and MERLIN II, is designed to transfer solution results from one finite element mesh to another. MAPVAR draws heavily from the structure and coding of MERLIN II, but it employs a new finite element data base, EXODUS II, and offers enhanced speed and new capabilities not available in MERLIN II. In keeping with the MERLIN II documentation, the computational algorithms used in MAPVAR are described. User instructions are presented. Example problems are included to demonstrate the operation of the code and the effects of various input options.

Traditionally, Ion Mobility Spectroscopy has been used to examine ions of relatively low molecular weight and high ion mobility. In recent years, however, biomolecules such as bradykinin, cytochrome c, bovine pancreatic trypsin inhibitor (BPTI), apomyoglobin, and lysozyme, have been successfully analyzed, but studies of whole bio-organisms have not been performed. In this study an attempt was made to detect and measure the mobility of two bacteriophages, {lambda}-phage and MS2 using electrospray methods to inject the viruses into the ion mobility spectrometer. Using data from Yeh, et al., which makes a comparison between the diameter of non-biologic particles and the specific particle mobility, the particle mobility for the MS2 virus was estimated to be 10{sup {minus}2} cm{sup 2}/volt-sec. From this mobility the drift time of these particles in our spectrometer was calculated to be approximately 65 msec. The particle mobility for the {lambda}-phage virus was estimated to be 10{sup {minus}3} cm{sup 2}/volt-sec. which would result in a drift time of 0.7 sec. Spectra showing the presence of a viral peak at the expected drift time were not observed. However, changes in the reactant ion peak that could be directly attributed to the presence of the viruses were observed. Virus clustering, excessive collisions, and the electrospray injection method limited the performance of this IMS. However, we believe that an instrument specifically designed to analyze such bioagents and utilizing other injection and ionization methods will succeed in directly detecting viruses and bacteria.

A high pressure test of the steel containment vessel (SCV) model was conducted on December 11-12, 1996 at Sandia National Laboratories, Albuquerque, NM, USA. The test model is a mixed-scaled model (1:10 in geometry and 1:4 in shell thickness) of an improved Mark II boiling water reactor (BWR) containment. A concentric steel contact structure (CS), installed over the SCV model and separated at a nominally uniform distance from it, provided a simplified representation of a reactor shield building in the actual plant. The SCV model and contact structure were instrumented with strain gages and displacement transducers to record the deformation behavior of the SCV model during the high pressure test. This paper summarizes the conduct and the results of the high pressure test and discusses the posttest metallurgical evaluation results on specimens removed from the SCV model.

A high pressure test of a scale model of a steel containment vessel (SCV) was conducted on December 11-12, 1996 at Sandia National Laboratories, Albuquerque, NM, USA. The test model is a mixed-scaled model (1:10 in geometry and 1:4 in shell thickness) of an improved Mark II boiling water reactor (BWR) containment. This testis part of a program to investigate the response of representative models of nuclear containment structures to pressure loads beyond the design basis accident. The posttest analyses of this test focused on three areas where the pretest analysis effort did not adequately predict the model behavior during the test. These areas are the onset of global yielding, the strain concentrations around the equipment hatch and the strain concentrations that led to a small tear near a weld relief opening that was not modeled in the pretest analysis.

A high pressure test of the steel containment vessel (SCV) model was conducted on December 11-12, 1996 at Sandia National Laboratories, Albuquerque, NM, USA. The test model is a mixed-scaled model (1:10 in geometry and 1:4 in shell thickness) of an improved Mark II boiling water reactor (BWR) containment. Several organizations from the US, Europe, and Asia were invited to participate in a Round Robin analysis to perform independent pretest predictions and posttest evaluations of the behavior of the SCV model during the high pressure test. Both pretest and posttest analysis results from all Round Robin participants were compared to the high pressure test data. This paper summarizes the Round Robin analysis activities and discusses the lessons learned from the collective effort.

Preliminary STMBMS and SEM results of the thermal decomposition of AP in the orthorhombic phase are presented. The overall decomposition is shown to be complex and controlled by both physical and chemical processes. The data show that the physical and chemical processes can be probed and characterized utilizing SEM and STMBMS. The overall decomposition is characterized by three distinguishing features: an induction period, and accelerator period and a deceleratory period. The major decomposition event occurs in the subsurface of the AP particles and propagates towards the center of the particle with time. The amount of total decomposition is dependent upon particle size and increases from 23% for {approximately}50{micro}m-diameter AP to 33% for {approximately}200{micro}m-diameter AP. A conceptual model of the physical processes is presented. Insight into the chemical processes is provided by the gas formation rates that are measured for the gaseous products. To our knowledge, this is the first presentation of data showing that the chemical and physical decomposition processes can be identified from one another, probed and characterized at the level that is required to better understand the thermal decomposition behavior of AP. Future work is planned with the goal of obtaining data that can be used to develop a mathematical description for the thermal decomposition of o-AP.

In recent years, serious investigations of potential extension of the useful life of older caverns or of the use of abandoned caverns for waste disposal have been of interest to the technical community. All of the potential applications depend upon understanding the reamer in which older caverns and sealing systems can fail. Such an understanding will require a more detailed knowledge of the fracture of salt than has been necessary to date. Fortunately, the knowledge of the fracture and healing of salt has made significant advances in the last decade, and is in a position to yield meaningful insights to older cavern behavior. In particular, micromechanical mechanisms of fracture and the concept of a fracture mechanism map have been essential guides, as has the utilization of continuum damage mechanics. The Multimechanism Deformation Coupled Fracture (MDCF) model, which is summarized extensively in this work was developed specifically to treat both the creep and fracture of salt, and was later extended to incorporate the fracture healing process known to occur in rock salt. Fracture in salt is based on the formation and evolution of microfractures, which may take the form of wing tip cracks, either in the body or the boundary of the grain. This type of crack deforms under shear to produce a strain, and furthermore, the opening of the wing cracks produce volume strain or dilatancy. In the presence of a confining pressure, microcrack formation may be suppressed, as is often the case for triaxial compression tests or natural underground stress situations. However, if the confining pressure is insufficient to suppress fracture, then the fractures will evolve with time to give the characteristic tertiary creep response. Two first order kinetics processes, closure of cracks and healing of cracks, control the healing process. Significantly, volume strain produced by microfractures may lead to changes in the permeability of the salt, which can become a major concern in cavern sealing and operation. The MDCF model is used in three simulations of field experiments in which indirect measures were obtained of the generation of damage. The results of the simulations help to verify the model and suggest that the model captures the correct fracture behavior of rock salt. The model is used in this work to estimate the generation and location of damage around a cylindrical storage cavern. The results are interesting because stress conditions around the cylindrical cavern do not lead to large amounts of damage. Moreover, the damage is such that general failure can not readily occur, nor does the extent of the damage suggest possible increased permeation when the surrounding salt is impermeable.

This report outlines the application of finite element methodology to large deformation solid mechanics problems, detailing also some of the key technological issues that effective finite element formulations must address. The presentation is organized into three major portions: first, a discussion of finite element discretization from the global point of view, emphasizing the relationship between a virtual work principle and the associated fully discrete system, second, a discussion of finite element technology, emphasizing the important theoretical and practical features associated with an individual finite element; and third, detailed description of specific elements that enjoy widespread use, providing some examples of the theoretical ideas already described. Descriptions of problem formulation in nonlinear solid mechanics, nonlinear continuum mechanics, and constitutive modeling are given in three companion reports.

On January 14--15, 1999, Sandia National Laboratories sponsored Deans Day, a conference for the Deans of Engineering and other executive-level representatives from 29 invited universities. Through breakout sessions and a wrap-up discussion, university and Sandia participants identified activities to further develop their strategic relationships. The four primary activities are: (A) concentrate joint efforts on current and future research strengths and needs; (B) attract the best students (at all grade levels) to science and engineering; (C) promote awareness of the need for and work together to influence a national science and technology R and D policy; and (D) enable the universities and Sandia to be true allies, jointly pursuing research opportunities and funding from government agencies and industry.

Abstract not provided.

Work was performed on seven subtasks. Several of these ended before the close of the program. This report contains a summary of each subtask.

Site Screening and Technical Guidance for Monitored Natural Attenuation at DOE Sites briefly outlines the biological and geochemical origins of natural attenuation, the tendency for natural processes in soils to mitigate contaminant transport and availability, and the means for relying on monitored natural attenuation (MNA) for remediation of contaminated soils and groundwaters. This report contains a step-by-step guide for (1) screening contaminated soils and groundwaters on the basis of their potential for remediation by natural attenuation and (2) implementing MNA consistent with EPA OSWER Directive 9200.4-17. The screening and implementation procedures are set up as a web-based tool (http://www.sandia.gov/eesector/gs/gc/na/mnahome.html) to assist US Department of Energy (DOE) site environmental managers and their staff and contractors to adhere to EPA guidelines for implementing MNA. This document is intended to support the Decision Maker's Framework Guide and Monitoring Guide both to be issued from DOE EM-40. Further technical advances may cause some of the approach outlined in this document to change over time.

Wafer processing involves several heating cycles to temperatures as high as 400 C. These thermal excursions are known to cause growth of voids that limit reliability of parts cut from the wafer. A model for void growth is constructed that can simulate the effect of these thermal cycles on void growth. The model is solved for typical process steps and the kinetics and extent of void growth are determined for each. It is shown that grain size, void spacing, and conductor line width are very important in determining void and stress behavior. For small grain sizes, stress relaxation can be rapid and can lead to void shrinkage during subsequent heating cycles. The effect of rapid quenching from process temperatures is to suppress void growth but induce large remnant stress in the conductor line. This stress can provide the driving force for void growth during storage even at room temperature. For isothermal processes the model can be solved analytically and estimates of terminal void size a nd lifetime are obtained.

Secondary containment for high speed rotating machinery, such as a centrifuge, is extremely important for operating personnel safety. Containment techniques can be very costly, ungainly and time consuming to construct. A novel containment concept is introduced which is fabricated out of modular sections of polycarbonate glazed into a Unistrut metal frame. A containment study for a high speed centrifuge is performed which includes the development of parameters for secondary containment design. The Unistrut/polycarbonate shield framing concept is presented including design details and proof testing procedures. The economical fabrication and modularity of the design indicates a usefulness for this shielding system in a wide variety of containment scenarios.

Abstract not provided.

Abstract not provided.

The authors developed a general model that describes the electrical responses of thickness shear mode resonators subject to a variety of surface conditions. The model incorporates a physically diverse set of single component loadings, including rigid solids, viscoelastic media, and fluids (Newtonian or Maxwellian). The model allows any number of these components to be combined in any configuration. Such multiple loadings are representative of a variety of physical situations encountered in electrochemical and other liquid phase applications, as well as gas phase applications. In the general case, the response of the composite load is not a linear combination of the individual component responses. The authors discuss application of the model in a qualitative diagnostic fashion to gain insight into the nature of the interfacial structure, and in a quantitative fashion to extract appropriate physical parameters such as liquid viscosity and density, and polymer shear moduli.

Layered semicrystalline silico-alumino-titanate (Si-Al-Ti) mixed oxides were synthesized by a modified sol-gel method with hydrothermal synthesis temperatures less than 200 C and autogenic pressure. The solid products are semicrystalline materials with a surface area of 136-367 m{sup 2}/g and a monomodal pore size distribution with an average pore diameter of 3.6-4.7 nrn. The catalytic activity for pyrene hydrogenation in a batch reactor at 300 C and 500 psig was determined for sulfided Ni-Mo supported on the Si-Al-Ti mixed oxide. The activity was a function of the support composition the heat treatment before and after loading the active metals, the addition of organic templates, and different methods of metal loading. The most active sulfided Ni-Mo/Si-Al-Ti catalyst has an activity in the same range as the commercial catalyst, Shell 324, but the metal loading is 37% less than the commercial catalyst.

HATS is a general purpose syntax derivation tree based transformation system in which transformation sequences are described in special purpose language. A powerful feature of this language is that unification is an explicit operation. By making unification explicit, an elegant framework arises in which to express complex application conditions which in turn enables refined control strategies to be realized. This paper gives an overview of HATS, focusing especially on the framework provided by the transformation language and its potential with respect to control and general purpose transformation.

The following software packages for uncertainty, sensitivity, and decision analysis were reviewed and also tested with several simple analysis problems: Crystal Ball, RiskQ, SUSA-PC, Analytica, PRISM, Ithink, Stella, LHS, STEPWISE, and JMP. Results from the review and test problems are presented. The study resulted in the recognition of the importance of four considerations in the selection of a software package: (1) the availability of an appropriate selection of distributions, (2) the ease with which data flows through the input sampling, model evaluation, and output analysis process, (3) the type of models that can be incorporated into the analysis process, and (4) the level of confidence in the software modeling and results.

Density-functional calculations for a wide variety of metals show that, contrary to the rebonding view of adsorbate bonding, addimers do not have notably longer surface bonds than adatoms, do not reside farther above the surface, and do not meet the rebonding arguments for augmented mobility. Rebonding concepts are found to have some utility in explaining addimer stability.

The compound semiconductor system InGaAsN exhibits many intriguing properties which are particularly useful for the development of innovative high efficiency thin film solar cells and long wavelength lasers. The bandgap in these semiconductors can be varied by controlling the content of N and In and the thin films can yet be lattice-matched to GaAs. In the present work, x-ray absorption fine structure (XAFS) and grazing incidence x-ray scattering (GIXS) techniques have been employed to probe the local environment surrounding both N and In atoms as well as the interface morphology of InGaAsN thin films epitaxially grown on GaAs. The soft x-ray XAFS results around nitrogen K-edge reveal that N is in the sp{sup 3} hybridized bonding configuration in InGaAsN and GaAsN, suggesting that N impurities most likely substitute for As sites in these two compounds. The results of In K-edge XAFS suggest a possible trend of a slightly larger coordination number of As nearest neighbors around In atoms in InGaAsN samples with a narrower bandgap whereas the In-As interatomic distance remains practically the same as in InAs within the experimental uncertainties. These results combined suggest that N-substitution of the As sites plays an important role of bandgap-narrowing while in the meantime counteracting the compressive strain caused by In-doping. Grazing incidence x-ray scattering (GIXS) experiments verify that InGaAsN thin films can indeed form very smooth interfaces with GaAs yielding an average interfacial roughness of 5-20{angstrom}.

An implicit Fast Fourier Transform (FFT) algorithm is implemented to solve the time-dependent Schroedinger equation with application to charge-exchange collisions. Cross sections are calculated for He{sup 2} on H and compared with experiment and other theoretical results. A disagreement between previously published theoretical results is resolved.

Sampling during environmental drilling is essential to fully characterize the spatial distribution and migration of near surface contaminants. However, analysis of the samples is expensive and time-consuming: off-site laboratory analysis can take weeks or months. An alternative screening technology, Environmental Measurement-While-Drilling (EMWD), could save money and valuable time by quickly distinguishing between contaminated and uncontaminated areas. Real time measurements provided by an EMWD system enable on-the-spot decisions to be made regarding sampling strategies. The system also enhances worker safety and provides the added flexibility of being able to steer a drill bit in or out of hazardous zones.

Random vibration is the phenomenon wherein random excitation applied to a mechanical system induces random response. We summarize the state of the art in random vibration analysis and testing, commenting on history, linear and nonlinear analysis, the analysis of large-scale systems, and probabilistic structural testing.

This study models the incremental radiological risk of transporting NARM to the Hanford commercial LLW facility, both for incident-free transportation and for possible transportation accidents, compared with the radiological risk of transporting LLW to that facility. Transportation routes are modeled using HIGHWAY 3.1 and risks are modeled using RADTRAN 4. Both annual population doses and risks, and annual average individual doses and risks are reported. Three routes to the Hanford site were modeled from Albany, OR, from Coeur d'Alene, ID (called the Spokane route), and from Seattle, WA. Conservative estimates are used in the RADTRAN inputs, and RADTRAN itself is conservative.

A parametric analysis is presented which summarizes the amount of total ({gamma}/NbC + {gamma}/Laves) and individual {gamma}/NbC and {gamma}/Laves constituents which form during solidification of {gamma}{sub (Fe,Ni,Cr)} alloys with variations in nominal Nb and C contents. Calculated results are presented for Fe base alloys and Ni base alloys. The results provide a quantitative rationale for understanding the relation between alloy composition and solidification microstructures and should provide useful insight into commercial alloys of similar composition.

There are two sources of contamination in solder alloys. The first source is trace elements from the primary metals used in the as-manufactured product, be that product in ingot, wire, or powder form. Their levels in the primary metal are determined by the refining process. While some of these trace elements are naturally occurring materials, additional contamination can result from the refining and/or forming processes. Sources include: furnace pot liners, debris on the cutting edges of shears, rolling mill rollers, etc. The types and levels of contaminants per solder alloy are set by recognized industrial, federal, military, and international specifications. For example, the 63Sn-37Pb solder purchased to the ASTM B 32 standard can have maximum levels of contamination for the following metals: 0.08(wt.)%Cu, 0.001 %Cd, 0.005%Al, 0.25%Bi, 0.03%As, 0.02%Fe, and 0.005 %Zn. A second cause of contamination in solders, and solder baths in particular, is their actual use in soldering operations. Each time a workpiece is introduced into the bath, some dissolution of the joint base metal(s), protective or solderable coatings, and fixture metal takes place which adds to contamination levels in the solder. The potential impurities include Cu; Ni; Au or other noble metals used as protective finishes and Al; Fe; and Zn to name a few. Even dissolution of the pot wall or liner is a source of impurities, typically Fe.

This paper details the application of a standard physical security system design process to a US Border Port of Entry (PoE) for vehicle entry/exit. The physical security design methodology is described as well as the physical security similarities to facilities currently at a US Border PoE for vehicles. The physical security design process description includes the various elements that make up the methodologies well as the considerations that must be taken into account when dealing with system integration of those elements. The distinctions between preventing unlawful entry/exit of illegal contraband and personnel are described. The potential to enhance the functions of drug/contraband detection in the Pre-Primary Inspection area through the application of emerging technologies are also addressed.

We consider the problem of planning shortest paths for a tethered robot with a finite length tether in a 2D environment with polygonal obstacles. We present an algorithm that runs in time O((k{sub 1} + 1){sup 2}n{sup 4}) and finds the shortest path or correctly determines that none exists that obeys the constraints; here n is the number obstacle vertices, and k{sub 1} is the number loops in the initial configuration of the tether. The robot may cross its tether but nothing can cross obstacles, which cause the tether to bend. The algorithm applies as well for planning a shortest path for the free end of an anchored cable.

The authors have developed a new type of heat spreader based on the integration of heat pipes directly within a thin planar structure suitable for use as a heat spreader or as the base layer in a substrate. The process uses micromachining methods to produce micron scale patterns that act as a wick in these small scale heat pipes. By using silicon or a low expansion metal as the wall material of these spreaders, they achieve a good match to the thermal coefficient of expansion of the die. The match allows the use of a thin high performance die attachment even on large size die. The embedded heat pipes result in high effective thermal conductivity for the new spreader technology.

Sampling during environmental drilling is essential to fully characterize the spatial distribution and migration of subsurface contaminants. However, analysis of the samples is expensive and time-consuming: off-site laboratory analysis can take weeks or months. Real-time information on environmental conditions, drill bit location and temperature during drilling is valuable in many environmental restoration operations. This type of information can be used to provide field screening data and improved efficiency of site characterization activities. The Environmental Measurement-While-Drilling (EMWD) System represents an innovative blending of new and existing technology in order to obtain real-time data during drilling. The system consists of two subsystems. The down-hole subsystem (at the drill bit) consists of sensors, a power supply, a signal conditioning and transmitter board, and a radio-frequency (RF) coaxial cable. The up-hole subsystem consists of a battery pack/coil, pickup coil, receiver, and personal computer. The system is compatible with fluid miser drill pipe, a directional drilling technique that uses minimal drilling fluids and generates little to no secondary waste. In EMWD, downhole sensors are located behind the drill bit and linked by a high-speed data transmission system to a computer at the surface. Sandia-developed Windows{trademark}-based software is used for data display and storage. As drilling is conducted, data is collected on the nature and extent of contamination, enabling on-the-spot decisions regarding drilling and sampling strategies. Initially, the downhole sensor consisted of a simple gamma radiation detector, a Geiger-Mueller tube (GMT). The design includes data assurance techniques to increase safety by reducing the probability of giving a safe indication when an unsafe condition exists. The EMWD system has been improved by the integration of a Gamma Ray Spectrometer (GRS) in place of the GMT. The GRS consists of a sodium iodide-thallium activated crystal coupled to a photomultiplier tube (PMT). The output of the PMT goes to a multichannel analyzer (MCA).The MCA data is transmitted to the surface via a signal conditioning and transmitter board similar to that used with the GMT. The EMWD system is described and the results of the GRS field tests and field demonstration are presented.

The Environmental Measurement-While-Drilling-Gamma Ray Spectrometer (EMWD-GRS) system represents an innovative blend of new and existing technology that provides real-time environmental and drill bit data during drilling operations. The EMWD-GRS technology was demonstrated at Savannah River Site (SRS) F-Area Retention Basin. The EMWD-GRS technology demonstration consisted of continuously monitoring for gamma-radiation-producing contamination while drilling two horizontal boreholes below the backfilled waste retention basin. These boreholes passed near previously sampled locations where concentrations of contaminant levels of cesium had been measured. Contaminant levels continuously recorded by the EMWD-GRS system during drilling were compared to contaminant levels previously determined through quantitative laboratory analysis of soil samples. The demonstration of the EMWD-GRS was a complete success. The results show general agreement between the soil sampling and EMWD-GRS techniques for CS-137. It was recognized that the EMWD-GRS tool would better satisfy our customers' needs if the instrument location could be continuously monitored. During the demonstration at SRS, an electromagnetic beacon with a walkover monitor (Subsite{reg_sign}) was used to measure bit location at depth. To use a beacon locator drilling must be stopped, thus it is normally only used when a new section of pipe was added. The location of contamination could only be estimated based on the position of the EMED-GRS package and the distance between locator beacon readings. A continuous location system that would allow us to know the location of each spectrum as it is obtained is needed.

The iterative advanced mean value algorithm (AMV+), introduced nearly ten years ago, is now widely used as a cost-effective probabilistic structural analysis tool when the use of sampling methods is cost prohibitive (Wu et al., 1990). The need to establish confidence bounds on calculated probabilities arises because of the presence of uncertainties in measured means and variances of input random variables. In this paper an algorithm is proposed that makes use of the AMV+ procedure and analytically derived probability sensitivities to determine confidence bounds on calculated probabilities.

Several ultrasonic inspection methods were developed at the Federal Aviation Administration's Airworthiness Assurance NDI Validation Center (AANC) to easily and rapidly detect hidden stress corrosion cracks in all vertical windshield posts on the US Coast Guard (USCG) HU-25 Guardian aircraft. The inspection procedure locates cracks as small as 2.0 millimeters emanating from internal fastener holes and determines their length. A test procedure was developed and a baseline assessment of the USCG fleet was conducted. Inspection results on twenty-five aircraft revealed a good correlation with results made during subsequent structural disassembly and visual inspection.

As III-V nitride device structures become more complicated and design rules shrink, well-controlled etch processes are necessary. Due to limited wet chemical etch results for the group-III nitrides, a significant amount of effort has been devoted to the development of dry etch processing. Dry etch development was initially focused on mesa structures where high etch rates, anisotropic profiles, smooth sidewalls, and equi-rate etching of dissimilar materials were required. For example, commercially available LEDs and laser facets for GaN-based laser diodes have been patterned using reactive ion etching (RIE). With the recent interest in high power, high temperature electronic devices, etch characteristics may also require smooth surface morphology, low plasma-induced damage, and selective etching of one layer over another. The principal criteria for any plasma etch process is its utility in the fabrication of a device. In this study, we will report plasma etch results for the group-III nitrides and their application to device structures.

The experimentally determined creep responses of a number of domal salts have been reported in, the literature. Some of these creep results were obtained using standard (conventional) creep tests. However, more typically, the creep data have come from multistage creep tests, where the number of specimens available for testing was small. An incremental test uses abrupt changes in stress and temperature to produce several time increments (stages) of different creep conditions. Clearly, the ability to analyze these limited data and to correlate them with each other could be of considerable potential value in establishing the mechanical characteristics of salt domes, both generally and specifically. In any analysis, it is necessary to have a framework of rules to provide consistency. The basis for the framework is the Multimechanism-Deformation (M-D) constitutive model. This model utilizes considerable general knowledge of material creep deformation to supplement specific knowledge of the material response of salt. Because the creep of salt is controlled by just a few micromechanical mechanisms, regardless of the origin of the salt, certain of the material parameters are values that can be considered universal to salt. Actual data analysis utilizes the methodology developed for the Waste Isolation Pilot Plant (WIPP) program, and the response of a bedded pure WIPP salt as the baseline for comparison of the domal salts. Creep data from Weeks Island, Bryan Mound, West Hackberry, Bayou Choctaw, and Big Hill salt domes, which are all sites of Strategic Petroleum Reserve (SPR) storage caverns, were analyzed, as were data from the Avery Island, Moss Bluff, and Jennings salt domes. The analysis permits the parameter value sets for the domal salts to be determined in terms of the M-D model with various degrees of completeness. In turn this permits detailed numerical calculations simulating cavern response. Where the set is incomplete because of the sparse database, reasonable assumptions permit the set to be completed. From the analysis, two distinct response groups were evident, with the salts of one group measurably more creep resistant than the other group. Interestingly, these groups correspond well with the indirectly determined creep closure of the SPR storage caverns, a correlation that probably should be expected. Certainly, the results suggest a simple laboratory determination of the creep characteristics of a salt material from a dome site can indicate the relative behavior of any potential cavern placed within that dome.

Three-dimensional imaging techniques, numerical methods for simulating flow and transport, and emergent computational architectures are combined to enable fundamental studies of fluid flow at the pore scale. High resolution reconstructions of porous media obtained using laser scanning confocal microscopy reduce sampling artifacts to sub-micron features, and simultaneously capture multiple grain length scales. However, the volumetric image data sets are extremely large, and there are significant computational challenges in utilizing this information effectively. The principal problem lies in the complexity of the geometry and the retention of this structure in numerical analyses. Lattice Boltzmann (LB) methods provide a direct means to simulate transport processes in complex geometric domains due to the unique ability to treat accurately and efficiently the multitude of discrete boundary conditions. LB methods are numerically explicit as formulated, and this characteristic is exploited through a mapping of the numerical domain to distributed computing architectures. These techniques are applied to perform single phase flow simulations in 3D data sets obtained from cores of Berea sandstone using confocal microscopy. Simulations are performed using both a purpose-built distributed processor computer and a massively parallel processer (MPP) platform.

The authors designed and conducted experiments in a heterogeneous sand pack where gravity-destabilized nonwetting phase invasion (CO{sub 2} and TCE) could be recorded using high resolution light transmission methods. The heterogeneity structure was designed to be reminiscent of fluvial channel lag cut-and-fill architecture and contain a series of capillary barriers. As invasion progressed, nonwetting phase structure developed a series of fingers and pools; behind the growing front they found nonwetting phase saturation to pulsate in certain regions when viscous forces were low. Through a scale analysis, they derive a series of length scales that describe finger diameter, pool height and width, and regions where pulsation occurs within a heterogeneous porous medium. In all cases, they find that the intrinsic pore scale nature of the invasion process and resulting structure must be incorporated into the analysis to explain experimental results. The authors propose a simple macro-scale structural growth model that assembles length scales for sub-structures to delineate nonwetting phase migration from a source into a heterogeneous domain. For such a model applied at the field scale for DNAPL migration, they expect capillary and gravity forces within the complex subsurface lithology to play the primary roles with viscous forces forming a perturbation on the inviscid phase structure.

Laser-induced damage mechanisms that can occur during high-intensity fiber transmission have been under study for a number of years. Our particular interest in laser initiation of explosives has led us to examine damage processes associated with the transmission of Q-switched, Nd:YAG pulses at 1.06 {micro}m through step-index, multimode, fused silica fiber. Laser breakdown at the fiber entrance face is often the first process to limit fiber transmission but catastrophic damage can also occur at either fiber end face, within the initial entry segment of the fiber, and at other internal sites along the fiber path. Past studies have examined how these various damage mechanisms depend upon fiber end-face preparation, fiber fixturing and routing, laser characteristics, and laser-to-fiber injection optics. In some applications of interest, however, a fiber transmission system may spend years in storage before it is used. Consequently, an important additional issue for these applications is whether or not there are aging processes that can result in lower damage thresholds over time. Fiber end-face contamination would certainly lower breakdown and damage thresholds at these surfaces, but careful design of hermetic seals in connectors and other end-face fixtures can minimize this possibility. A more subtle possibility would be a process for the slow growth of internal defects that could lead to lower thresholds for internal damage. In the current study, two approaches to stimulating the growth of internal defects were used in an attempt to produce observable changes in internal damage thresholds. In the first approach test fibers were subjected to a very high tensile stress for a time sufficient for some fraction to fail from static fatigue. In the second approach, test fibers were subjected to a combination of high tensile stress and large, cyclic temperature variations. Both of these approaches were rather arbitrary due to the lack of an established growth mechanism for internal defects. Damage characteristics obtained from fibers subjected to each of these aging environments were compared to results from fresh fibers tested under identical conditions. A surprising result was that internal damage was not observed in any of the tested fibers. Only breakdown at the fiber entrance face and catastrophic damage at both end faces were observed. Fiber end faces were not sealed during the accelerated aging environments, and thresholds at these faces were significantly lower in the aged fibers. However, most fibers transmitted relatively high pulse energies before damaging, and a large fraction never damaged before we reached the limits of our test laser. The absence of any observable affect on internal damage thresholds is encouraging, but the current results do not rule out the possibility that some other approach to accelerated aging could reveal a growth mechanism for internal defects.

The time-dependence of the wet oxidation of high-Al-content AlGaAs can be either linear, indicating reaction-rate limitation, or parabolic, indicating diffusion-limited rates. The transition from linear to parabolic time dependence can be explained by the increased rate of the formation of intermediate As{sub 2}O{sub 3} vs. its reduction to elemental As. A steadily increasing thickness of the As{sub 2}O{sub 3}-containing region at the oxidation front will shift the process from the linear to the parabolic regime. This shift from reaction-rate-limited (linear) to diffusion-limited (parabolic) time dependence is favored by increasing temperature or increasing Al mole fraction.

The work functions of polycrystalline metals are often used to systematize Schottky barrier height data for rectifying contacts to semiconductors. Rectifying contacts to silicon devices are predominantly formed using conductive metal silicides with work functions which are not as well characterized as metal work functions. The present work has two objectives. First, it classifies the transition metals using correlations between the metal work function and the atomic chemical potential. Second, the available data for metal silicides is collected and interpreted using an average charge transfer (ACT) model. The ACT model accounts for the electronic hardness of the component elements in addition to their chemical potentials. New trends in the behavior of silicide work functions are identified.

We discuss the role of localized high electric fields in the modification of Au surfaces with a W probe using the Interfacial Force Microscope. Upon bringing a probe close to a Au surface, we measure both the interfacial force and the field emission current as a function of separation with a constant potential of 100 V between tip and sample. The current initially increases exponentially as the separation decreases. However, at a distance of less than {approximately} 500{angstrom} the current rises sharply as the surface begins to distort and rapidly close the gap. Retraction of the tip before contact is made reveals the formation of a mound on the surface. We propose a simple model, in which the localized high electric field under the tip assists the production of mobile Au adatoms by detachment from surface steps, and a radial field gradient causes a net flux of atoms toward the tip by surface diffusion. These processes give rise to an unstable surface deformation which, if left unchecked, results in a destructive mechanical contact. We discuss our findings with respect to earlier work using voltage pulses in the STM as a means of nanofabrication.

The self-diffusion of Ca and the tracer diffusion of Mg in calcite have been experimentally measured using isotopic tracers of {sup 25}Mg and {sup 44}Ca. Natural single crystals of calcite were coated with a thermally-sputtered oxide thin film and then annealed in a CO{sub 2} gas at one atmosphere total pressure and temperatures from 550 to 800 C. Diffusion coefficient values were derived from the depth profiles obtained by ion microprobe analysis. The resultant activation energies for Mg tracer diffusion and Ca self-diffusion are respectively: E{sub a}(Mg) = 284 {+-} 74 kJ/mol and E{sub a}(Ca) = 271 {+-} 80 kJ/mol. For the temperature ranges in these experiments, the diffusion of Mg is faster than Ca. The results are generally consistent in magnitude with divalent cation diffusion rates obtained in previous studies and provide a means of interpreting the thermal histories of carbonate minerals, the mechanism of dolomitization, and other diffusion-controlled processes. The results indicate that cation diffusion in calcite is relatively slow and cations are the rate-limiting diffusing species for the deformation of calcite and carbonate rocks. Application of the calcite-dolomite geothermometer to metamorphic assemblages will be constrained by cation diffusion and cooling rates. The direct measurement of Mg tracer diffusion in calcite indicates that dolomitization is unlikely to be accomplished by Mg diffusion in the solid state but by a recrystallization process.

Calorimetric studies by Chai and Navrotsky (1996) on dolomite-ankerite energetic have been extended by including two additional types of samples: a very disordered stoichiometric MgCa(CO{sub 3}){sub 2} prepared from low temperature aqueous solution and three largely ordered natural samples of intermediate iron content. Combining these data with previous work, three distinct trends of energetic can be seen: those for samples with nearly complete order, nearly complete disorder, and intermediate order. From these trends, the enthalpy of complete disordering is estimated to be 33 {+-} 6 kJ/mol for MgCa(CO{sub 3}){sub 2} and 18 {+-} 5 kJ/mol for FeCa(CO{sub 3}){sub 2}.

Evolutionary pattern search algorithms (EPSAs) are a class of evolutionary algorithms (EAs) that have convergence guarantees on a broad class of nonconvex continuous problems. In previous work we have analyzed the empirical performance of EPSAs. This paper revisits that analysis and extends it to a more general model of mutation. We experimentally evaluate how the choice of the set of mutation offsets affects optimization performance for EPSAs. Additionally, we compare EPSAs to self-adaptive EAs with respect to robustness and rate of optimization. All experiments employ a suite of test functions representing a range of modality and number of multiple minima.

Evolutionary programs (EPs) and evolutionary pattern search algorithms (EPSAS) are two general classes of evolutionary methods for optimizing on continuous domains. The relative performance of these methods has been evaluated on standard global optimization test functions, and these results suggest that EPSAs more robustly converge to near-optimal solutions than EPs. In this paper we evaluate the relative performance of EPSAs and EPs on a real-world application: flexible ligand binding in the Autodock docking software. We compare the performance of these methods on a suite of docking test problems. Our results confirm that EPSAs and EPs have comparable performance, and they suggest that EPSAs may be more robust on larger, more complex problems.

As part of a pollution prevention program, a study was conducted at Sandia National Laboratories and at the Amarillo, ''Pantex Plant'' to identify a suitable replacement solvent(s) for cleaning hardware during routine maintenance operations. Current cleaning is performed using solvents (e.g. acetone, toluene, MEK, alcohols) that are classified as Resource Conservation and Recovery Act (RCW) materials. The Environmental Protection Agency (EPA) has assigned four characteristics as the criteria for determining whether a material is identified as hazardous under RCRA: Ignitability, Corrosivity, Reactivity and Toxicity. Within the DOE and DoD sector, these solvents are used with hand wipes to clean surfaces prior to O-ring replacement, to remove decals for new labeling, to clean painted surfaces prior to reconditioning, and for other general maintenance purposes. In some cases, low level radioactive contamination during cleaning necessitates that the RCIL4 solvent-containing wipes be classified as mixed waste. To avoid using RCRA materials, cleaning candidates were sought that had a flashpoint greater than 140 F, a pH between 2.5 and 12.5, and did not fail the reactivity and toxicity criteria. Three brominated cleaners, two hydrofluoroether azeotropes and two aliphatic hydrocarbon cleaner formulations were studied as potential replacements. Cleaning efficacy, materials compatibility, corrosion and accelerated aging studies were conducted and used to screen potential candidates. Hypersolve NPB (an n-propyl bromide based formulation) consistently ranked high in removing typical contaminants for weapons applications.

Deep and shallow electron traps form in irradiated thermal SiO{sub 2} as a natural response to hole transport and trapping. The density and stability of these defects are discussed, as are their implications for total-dose modeling.

Techniques for modeling oil well sand production have been developed using the formulations for superquadric discrete elements and Darcy fluid flow. Discrete element models are generated using the new technique of particle cloning. Discrete element sources and sinks allow simulation of sand production from the initial state through the transition to an equilibrium state where particles are created and removed at the same rate.

This paper provides a summary introduction to the emerging area of Architectural Surety{trademark} applications for buildings and infrastructures that are subjected to dynamic loads from blast and naturally occurring events. This technology area has been under investigation to assist with the definition of risks associated with dynamic loads and to provide guidance for determining the required upgrading and retrofitting techniques suggested for reducing building and infrastructure vulnerabilities to such dynamic forces. This unique approach involves the application of risk management techniques for solving problems of the as-built environment through the application of security, safety, and reliability principles developed in the nuclear weapons programs of the United States Department of Energy (DOE) and through the protective structures programs of the German Ministry of Defense (MOD). The changing responsibilities of engineering design professionals are addressed in light of the increased public awareness of structural and facility systems' vulnerabilities to malevolent, normal, and abnormal environment conditions. Brief discussions are also presented on (1) the need to understand how dynamic pressures are affected by the structural failures they cause, (2) the need to determine cladding effects on columns, walls, and slabs, and (3) the need to establish effective standoff distance for perimeter barriers. A summary description is presented of selected technologies to upgrade and retrofit buildings by using high-strength concrete and energy-absorbing materials and by specifying appropriately designed window glazing and special masonry wall configurations and composites. The technologies, material performance, and design evaluation procedures presented include super-computational modeling and structural simulations, window glass fragmentation modeling, risk assessment procedures, instrumentation and health monitoring systems, three-dimensional CAD virtual reality visualization techniques, and material testing data.

{sup 6}Li and {sup 7}Li solid state magic angle spinning (MAS) nuclear magnetic resonance (NMR) spectroscopy has been used to investigate the local coordination environment of lithium in a series of xLi{sub 2}O {center_dot} (1-x)P{sub 2}O{sub 5} glasses, where 0.05 {le} x {le} 0.55. Both the {sup 6}Li and {sup 7}Li show chemical shift variations with changes in the Li{sub 2}O concentration, but the observed {sup 6}Li NMR chemical shifts closely approximate the true isotropic chemical shift and can provide a measure of the lithium bonding environment. The {sup 6}Li NMR results indicate that in this series of lithium phosphate glasses the Li atoms have an average coordination between four and five. The results for the metaphosphate glass agree with the coordination number and range of chemical shifts observed for crystalline LiPO{sub 3}. An increase in the {sup 6}Li NMR chemical shift with increasing Li{sub 2}O content was observed for the entire concentration range investigated, correlating with increased cross-linking of the phosphate tetrahedral network by O-Li-O bridges. The {sup 6}Li chemical shifts were also observed to vary monotonically through the anomalous glass transition temperature (T{sub g}) minimum. This continuous chemical shift variation shows that abrupt changes in the Li coordination environment do not occur as the Li{sub 2}O concentration is increased, and such abrupt changes can not be used to explain the T{sub g} minimum.

Evolutionary algorithms have been successfully applied to a variety of molecular structure prediction problems. In this paper we reconsider the design of genetic algorithms that have been applied to a simple protein structure prediction problem. Our analysis considers the impact of several algorithmic factors for this problem: the confirmational representation, the energy formulation and the way in which infeasible conformations are penalized, Further we empirically evaluated the impact of these factors on a small set of polymer sequences. Our analysis leads to specific recommendations for both GAs as well as other heuristic methods for solving PSP on the HP model.

Abstract not provided.

A partially-depleted SOI transistor structure has been designed that does not require the use of specially-processed hardened buried oxides for total-dose hardness and maintains the intrinsic SEU and dose rate hardness advantages of SOI technology.

We conducted depth of penetration experiments with 7.11-mm-diameter, 74.7-mm-long, spherical-nose, 4340 steel projectiles launched into 250-mm-diameter, 6061-T6511 aluminum targets. To show the effect of projectile strength, we used projectiles that had average Rockwell harnesses of R{sub c} = 36.6, 39.5, and 46.2. A powder gun and two-stage, light-gas guns launched the 0.023 kg projectiles at striking velocities between 0.5 and 3.0 km/s. Post-test radiographs of the targets showed three response regions as striking velocities increased: (1) the projectiles remained visibly undeformed, (2) the projectiles permanently deformed without erosion, and (3) the projectiles eroded and lost mass. To show the effect of projectile strength, we compared depth-of-penetration data as a function of striking velocity for spherical-nose rods with three Rockwell harnesses at striking velocities ranging from 0.5 to 3.0 km/s. To show the effect of nose shape, we compared penetration data for the spherical-nose projectiles with previously published data for ogive-nose projectiles.

The depolymerization of organosolv-derived lignins by bases in methanol or ethanol solvent was studied in rapidly heated batch microreactors. The conversion of lignin to ether solubles by KOH in methanol or ethanol was rapid at 290 "C, reaching the maximum value within 10-15 minutes. An excess of base relative to Lignin monomer units was required for maximum conversion. Strong bases (KOH, NaOH, CSOH) convert more of the lignin to ether soluble material than do weaker bases LiOH, Ca(OH)2, and NacCO2). Ethanol and methanol are converted to acetic and formic acid respectively under the reaction conditions with an activation energy of approximately 50 kcal/mol. This results in a loss of solvent, but more importantly neutralizes the base catalyst, halting forward progress of the reaction.

Continuing education is a critical issue in the workplace. Rapid change, the emergence of new technology, and the lack of trained individuals make continuing education an imperative for employers. The desire for individual growth and marketability make it an imperative for the employee also. While there are many options for continuing education, an increasingly popular vehicle is the short course. Time, cost efficiency and instruction by those experienced in real industrial practice are key factors in the success of this educational format. Over the past couple of decades, short course offerings and the number and type of sponsoring organizations have grown significantly. Within the scientific community, courses in basic disciplines (e.g., materials characterization), emergent technologies (e.g., Micro-Electro- Mechanical Systems), equipment operation (e.g., electron microscopes) and even business practices (e.g., ES&H, proposal writing) have emerged and are taught by universities, technical societies and equipment manufacturers. Short course offerings and formats are evolving. Presently, it is possible to find series of courses which define specific curricula. These curricula set the stage for new developments in the future, including increased certification and licensing (e.g., technologists). Along with such certifications will come the need for accreditation. Who will offer such programs, and especially, who will accredit them are significant questions. Perhaps the most dramatic changes will occur with the integration of advanced information technology. While satellite-based remote offerings are available, the use of the web for educating a dispersed group is just beginning to emerge. In its simplest forms, this offers little advantage over a video or a real-time satellite course, but the eventual emergence of tele-operation of experimental equipment will revolutionize remote teaching.

The asymptotically singular stress state found at the tip of a rigid, square inclusion embedded within a thin, linear elastic disk has been determined for both uniform cooling and an externally applied pressure. Since these loadings we symmetric, the singular stress field is characterized by a single stress intensity factor, and the applicable calibration relationship has been determined for both fully bonded and unbended inclusions. A lack of interfacial bonding has a profound effect on inclusion-tip stress fields. A large radial compressive stress is generated in front of the inclusion tip when the inclusion is well bonded, whereas a large tensile hoop stress is generated when the inclusion is unbended, and frictionless sliding is allowed. Consequently, an epoxy disk containing an unbended inclusion appears more likely to crack when cooled than a disk containing a fully bonded inclusion. Elastic-plastic calculations show that when the inclusion is unbended, encapsulant yielding has a significant effect on the inclusion-tip stress state. Yielding relieves stress parallel to the interface and greatly reduces the radial compressive stress in front of the inclusion. As a result, the encapsulant is subjected to a nearly uniaxial tensile stress at the inclusion tip. For a typical high-strength epoxy, the calculated yield zone is embedded within the region dominated by the elastic hoop stress singularity. A limited number of tests have been carried out to determine if encapsulant cracking can be induced by cooling a specimen fabricated by molding a square, steel insert within a thin, epoxy disk. Test results are in qualitative agreement with analysis. Cracks developed only in disks with mold-released inserts, and the tendency for cracking increased with inclusion size.

High wire number, 25-mm diameter tungsten wire arrays have been imploded on the 8-MA Saturn generator, operating in a long-pulse mode. By varying the mass load from 710 to 6140 ps/cm, implosion times of 130 to 250 ns have been obtained with implosion velocities of 50 to 25 cn-dys, respectively. These z-pinch implosions produced plasmas with millimeter diameters that radiated 600 to 800 kJ of x-rays, with powers of 20 to 49 TW; the corresponding pulse widths were 19 to 7.5 ns, with risetimes ranging from 6.5 to 4.0 ns. These powers and pulse widths are similar to those achieved with 50 ns implosion times on Saturn. Two-dimensional, radiation- magnetohydrodynamic calculations indicate that the imploding shells in these long implosion time experiments are comparable in width to those in the short pulse cases. This can only be due to lower initial perturbations. A heuristic wire array model suggests that the reduced perturbations, in the long pulse cases, may be due to the individual wire merger occurring well before the acceleration of the shell. The experiments and modeling suggest that 150 to 200 ns implosion time z-pinches could be employed for high-power, x-ray source applications.

Computational models have the potential of being used to make credible predictions in place of physical testing in many contexts, but success and acceptance require a convincing model validation. In general, model validation is understood to be a comparison of model predictions to experimental results but there appears to be no standard framework for conducting this comparison. This paper gives a statistical framework for the problem of model validation that is quite analogous to calibration, with the basic goal being to design and analyze a set of experiments to obtain information pertaining to the `limits of error' that can be associated with model predictions. Implementation, though, in the context of complex, high-dimensioned models, poses a considerable challenge for the development of appropriate statistical methods and for the interaction of statisticians with model developers and experimentalists. The proposed framework provides a vehicle for communication between modelers, experimentalists, and the analysts and decision-makers who must rely on model predictions.

An automated system is described for the sensor-based precision docking and manipulation of large objects. Past work in the remote handling of large nuclear waste containers is extendable to the problems associated with the handling of large objects such as steel coils. Computer vision and ultrasonic proximity sensing are used to control the precision docking of large objects, and swing-damped motion control of overhead cranes is used to control the position of the pickup device and suspended payload during movement. Real-time sensor processing and model-based control are used to accurately position payloads.

The U. S. Department of Energy plans to dispose of transuranic wastes at the Waste Isolation Pilot Plant (WIPP), a geologic repository located at a depth of about 655 meters. The WIPP underground facility is located in the bedded salt of the Salado Formation. Access to the facility is provided through vertical shafts, which will be sealed after decommissioning to limit the release of hazardous waste from the repository and to limit flow into the facility. Because limited data are available to characterize the properties of dynamically compacted crushed salt, Sandia National Laboratories authorized RE/SPEC to perform additional tests on specimens of dynamically compacted crushed salt. These included shear consolidation creep, permeability, and constant strain-rate triaxial compression tests. A limited number of samples obtained from the large compacted mass were available for use in the testing program. Thus, additional tests were performed on samples that were prepared on a smaller scale device in the RE/SPEC laboratory using a dynamic-compaction procedure based on the full-scale construction technique. The laboratory results were expected to (1) illuminate the phenomenology of crushed-salt deformation behavior and (2) add test results to a small preexisting database for purposes of estimating parameters in a crushed-salt constitutive model. The candidate constitutive model for dynamically compacted crushed salt was refined in parallel with this laboratory testing.

This paper describes three experiments whose purpose is to determine the amount of retained oil on massive salt surfaces and in crushed salt in the presence of water and brine. These experiments have application to the decommissioning process for the Weeks Island mine. In the first experiment, oil-coated salt cores were immersed in either fresh water or in 85% brine. In the case of both fluids, the oil was completely removed from the cores within several hours. In the second experiment, oil-coated salt pieces were suspended in air and the oil was allowed to drain. The weight of retained oil clinging to the salt was determined. This experiment was used to estimate the total amount of oil clinging to the roofs of the mine. The total amount of oil clinging to the roofs of the mine is estimated to be between 240 and 400 m3 (1500 and 2500 BBL). In the third experiment, a pan of oil-soaked crushed salt was immersed in 85% brine, and oil removal from the salt was monitored as a function of time. At the start of the experiment, prior to immersion, 16% of the bulk volume of the crushed salt was determined to be interstitial oil. After the pan of crushed salt was immersed in 85% brine, 80% of the oil, which had been in the interstitial spaces of the crushed salt, immediately floated to the surface of the brine. This oil was not bound and was immediately released. During the next 380 hours, oil continued to separate from the salt and the rate of transfer was governed by a mass-transfer rate limitation.

Charge-state calculations based on density-functional theory are used to study the formation energy of hydrogen in wurtzite and zinc-blende GaN as a function of Fermi level Comparison of these results reveals notable differences including a 0.56 eV lower formation energy for H2 in wurtzite, and different configurations for H2 and H- in the two crystal structures. Furthermore, H+ is found to be equally stable at bond-centered and anti-bonding sites in wurtzite, whereas it is unstable at a bond-centered site in zinc blende. These differences are due to distinct features of the two crystal structures including: the lower symmetry of wurtzite which provides a wider selection of bonding sites for H+, and the existence of extended three-fold symmetric channels oriented along the c-axis in wurtzite which provide more favorable bonding configurations for H2 and H-.N-H+ stretch-mode vibration frequencies, clustering of ?3+ in p-type material, and diffusion barriers for H" are also investigated in wurtzite GaN. A diffusion barrier of 1.6 eV is found for H- in wurtzite GaN, significantly lower than a previous estimate, and a tendency for H+ clustering in p-type material is found.

This document describes the application design philosophy for the Comprehensive Nuclear Test Ban Treaty Research & Development Web Site. This design incorporates object-oriented techniques to produce a flexible and maintainable system of applications that support the web site. These techniques will be discussed at length along with the issues they address. The overall structure of the applications and their relationships with one another will also be described. The current problems and future design changes will be discussed as well.

Long wavelength (2-6 {micro}m) diode emitters are desirable for many applications including monitoring of chemical species in the environment and manufacturing, long wavelength fiber-optic communications, lidar, and JR detector counter-measures. No practical diode lasers are available for any of these applications because the band structure of bulk III-V, II-VI, and IV-VI semiconductor alloys results in large Auger recombination rates at these wavelengths. Experimental and theoretical work at Sandia has resulted in new understanding of the electronic properties of narrow bandgap III-V heterostructures, and we have found methods of reducing the Auger rates in certain InAsSb superlattices and quantum wells. These devices enable us to begin chemical sensing demonstrations of important species such as CO-CO{sub 2} and numerous other compounds. This project will involve developing chemical sensing systems and determining the sensitivity and limitations of these systems. Concurrently, we will improve upon infrared emitters used in these systems.

This report documents a data collection where we recorded redundant range image data from multiple views of a simple scene, and recorded accurate survey measurements of the same scene. Collecting these data was a focus of the research project Automated Geometric Model Builder Using Range Image Sensor Data (96-0384), supported by Sandia's Laboratory-Directed Research and Development (LDRD) Program during fiscal years 1996, 1997, and 1998. The data described here are available from the authors on CDROM, or electronically over the Internet. Included in this data distribution are Computer-Aided Design (CAD) models we constructed from the survey measurements. The CAD models are compatible with the SolidWorks 98 Plus system, the modern Computer-Aided Design software system that is central to Sandia's DeskTop Engineering Project (DTEP). Integration of our measurements (as built) with the constructive geometry process of the CAD system (as designed) delivers on a vision of the research project. This report on our final data collection will also serve as a final report on the project.

This report documents the results of a laboratory-directed research and development (LDRD) project on control and agile manufacturing in the critical metalorganic chemical vapor deposition (MOCVD) and molecular beam epitaxy (MBE) materials growth processes essential to high-speed microelectronics and optoelectronic components. This effort is founded on a modular and configurable process automation system that serves as a backbone allowing integration of process-specific models and sensors. We have developed and integrated MOCVD- and MBE-specific models in this system, and demonstrated the effectiveness of sensor-based feedback control in improving the accuracy and reproducibility of semiconductor heterostructures. In addition, within this framework we have constructed ''virtual reactor'' models for growth processes, with the goal of greatly shortening the epitaxial growth process development cycle.

This report summarizes our work on high-voltage switches during the past few years. With joint funding from the Department of Energy (DOE) and the Department of Defense (DOD), we tested a wide variety of switches to a common standard. This approach permitted meaningful comparisons between disparate switches. Most switches were purchased from commercial sources, though some were experimental devices. For the purposes of this report, we divided the switches into three generic types (gas, vacuum, and semiconductor) and selected data that best illustrates important strengths and weaknesses of each switch type. Test techniques that indicate the state of health of the switches are emphasized. For example, a good indicator of residual gas in a vacuum switch is the systematic variation of the switching delay in response to changes in temperature and/or operating conditions. We believe that the presentation of this kind of information will help engineers to select and to test switches for their particular applications. Our work was limited to switches capable of driving slappers. Also known as exploding-foil initiators, slappers are detonators that initiate a secondary explosive by direct impact with a small piece of matter moving at the detonation velocity (several thousands of meters per second). A slapper is desirable for enhanced safety (no primary explosive), but it also places extra demands on the capacitor-discharge circuit to deliver a fast-rising current pulse (greater than 10 A/ns) of several thousand amperes. The required energy is substantially less than one joule; but this energy is delivered in less than one microsecond, taking the peak power into the megawatt regime. In our study, the switches operated in the 1 kV to 3 kV range and were physically small, roughly 1 cm{sup 3} or less. Although a fuze functions only once in actual use, multiple-shot capability is important for production testing and for research work. For this reason, we restricted this report to multiple-shot switches. Furthermore, our work included only switches with submicrosecond timing precision, thereby excluding mechanical switches.

Scenarios in which the explosive burster charge in a chemical munition accidentally detonates inside demilitarization containment chambers are analyzed. The vulnerability of an inner Auxiliary Pressure Vessel and the primary Explosive Containment Chamber to impact by fragments from the largest explosive charge expected to be placed in these chambers (M426, 8 inch, chemical, 7 lbs Comp B) is evaluated. Numerical (CTH) and empirical (ConWep) codes are used to characterize the munition fragments, and assess the consequences of their impact and penetration on the walls of these vessels. Both pristine and corroded configurations of the munition have been considered, with and without liquid agent fill. When the munition burster charge detonates, munition case fragments impact and perforate the Auxiliary Pressure Vessel wall, resulting in extensive breakup of this inner chamber and the formation of additional fragments. These residual munition case and Auxiliary Pressure Vessel fragments have sufficient mass and velocity to crater the Explosive Containment Chamber inner wall layer, with accompanying localized permanent deformation (bulging) of both the inner and outer chamber walls. The integrity of the Explosive Containment Chamber was retained under all of the APV / munition configurations considered in this study, with no evidence that primary (munition) or secondary (munition and Auxiliary Pressure Vessel) fragments will perforate the inner chamber wall. Limited analyses of munition detonation without the Auxiliary Pressure Vessel present indicate that some munition span fragments could form under those conditions that have sufficient mass and velocity to perforate the inner wall of the Explosive Containment Chamber.

Abstract not provided.

Three reactive materials were evaluated to identify the optimum treatment reagent for use in a Permeable Reactive Barrier Treatment System at Rocky Flats Environmental Technology Site (RFETS). The three reactive media evaluated included high carbon steel iron filings, an iron-silica alloy in the form of a foam aggregate, and a pellicular humic acid based sorbent (Humasorb from Arctech) mixed with sand. Each material was tested in the laboratory at column scale using simulated site water. All three materials showed promise for the 903 Mound Site; however, the iron filings were determined to be the most cost effective media. In order to validate the laboratory results, the iron filings were further tested at a pilot scale (field columns) using actual site water. Pilot test results were similar to laboratory results; consequently, the iron filings were chosen for the full scale demonstration of this reactive barrier technology. Design parameters including saturated hydraulic conductivity, treatment residence time, and head loss across the media were provided to the design team in support of the final design.

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

Abstract not provided.

This paper documents development of a capability for performing shape-changing editing operations on solid model representations in an immersive environment. The capability includes part- and assembly-level operations, with part modeling supporting topology-invariant and topology-changing modifications. A discussion of various design considerations in developing an immersive capability is included, along with discussion of a prototype implementation we have developed and explored. The project investigated approaches to providing both topology-invariant and topology-changing editing. A prototype environment was developed to test the approaches and determine the usefulness of immersive editing. The prototype showed exciting potential in redefining the CAD interface. It is fun to use. Editing is much faster and friendlier than traditional feature-based CAD software. The prototype algorithms did not reliably provide a sufficient frame rate for complex geometries, but has provided the necessary roadmap for development of a production capability.

This pilot study project explored the problem of providing access to the nomadic worker who desires to connect a computer through network access points at a number of different locations within the SNL/NM campus as well as outside the campus. The design and prototype development gathered knowledge that may allow a design to be developed that could be extended to a larger number of SNL/NM network drop boxes. The focus was to provide a capability for a worker to access the SNL IRN from a network drop box (e.g. in a conference room) as easily as when accessing the computer network from the office normally used by the worker. Additional study was done on new methods to authenticate the off campus worker, and protect and control access to data.

Abstract not provided.

Abstract not provided.

Interest in the critical dynamics of superfluid He in microgravity conditions has motivated the development of new high resolution thermometry technology for use in space experiments near 2K. The current material commonly used as the temperature sensing element for high resolution thermometers (HRTs) is copper ammonium bromide (Cu(NH{sub 4}){sub 2}Br{sub 4}2H{sub 2}O) or CAB, which undergoes a ferromagnetic phase transition at 1.8K. HRTs made from CAB have demonstrated low drift (<10fK/s) and a temperature resolution of 0.1nK. Unfortunately, paramagnetic salts such as CAB are difficult to prepare and handle, corrosive to most metals, and become dehydrated if kept under vacuum conditions at room temperature. We have developed a magnetic thermometer using dilute magnetic alloys of Mn or Fe dissolved in a pure Pd matrix. These metallic thermometers are easy to fabricate, chemically inert, and mechanically robust. Unlike salts, they may be directly soldered to the stage to be measured. Also, the Curie temperature can be varied by changing the concentration of Fe or Mn, making them available for use in a wide temperature range. Susceptibility measurements, as well as preliminary noise and drift measurements, show them to have sub-nK resolution with a drift of less than 10{sup {minus}13} K/s.

Abstract not provided.

The constitutive model used to describe the deformation of crushed salt is presented in this report. Two mechanisms -- dislocation creep and grain boundary diffusional pressure solution -- are combined to form the basis for the constitutive model governing the deformation of crushed salt. The constitutive model is generalized to represent three-dimensional states of stress. Upon complete consolidation, the crushed-salt model reproduces the Multimechanism Deformation (M-D) model typically used for the Waste Isolation Pilot Plant (WIPP) host geological formation salt. New shear consolidation tests are combined with an existing database that includes hydrostatic consolidation and shear consolidation tests conducted on WIPP and southeastern New Mexico salt. Nonlinear least-squares model fitting to the database produced two sets of material parameter values for the model -- one for the shear consolidation tests and one for a combination of the shear and hydrostatic consolidation tests. Using the parameter values determined from the fitted database, the constitutive model is validated against constant strain-rate tests. Shaft seal problems are analyzed to demonstrate model-predicted consolidation of the shaft seal crushed-salt component. Based on the fitting statistics, the ability of the model to predict the test data, and the ability of the model to predict load paths and test data outside of the fitted database, the model appears to capture the creep consolidation behavior of crushed salt reasonably well.

Abstract not provided.

Abstract not provided.

The conference consisted of two sessions with the following subtopics: (1) Heterogeneous Session: Novel Catalytic Materials; Photocatalysis; Novel Processing Conditions; Metals and Sulfides; Nuclear Magnetic Resonance; Metal Oxides and Partial Oxidation; Electrocatalysis; and Automotive Catalysis. (2) Homogeneous Catalysis: H-Transfer and Alkane Functionalization; Biocatalysis; Oxidation and Photocatalysis; and Novel Medical, Methods, and Catalyzed Reactions.

Three-dimensional finite element analyses were performed for the two gas-filled storage caverns at the Egan field, Jennings dome, Louisiana. The effects of cavern enlargement on surface subsidence, storage loss, and cavern stability were investigated. The finite element model simulated the leaching of caverns to 6 and 8 billion cubic feet (BCF) and examined their performance at various operating conditions. Operating pressures varied from 0.15 psi/ft to 0.9 psi/ft at the bottom of the lowest cemented casing. The analysis also examined the stability of the web or pillar of salt between the caverns under differential pressure loadings. The 50-year simulations were performed using JAC3D, a three dimensional finite element analysis code for nonlinear quasistatic solids. A damage criterion based on onset of dilatancy was used to evaluate cavern instability. Dilation results from the development of microfractures in salt and, hence, potential increases in permeability onset occurs well before large scale failure. The analyses predicted stable caverns throughout the 50-year period for the range of pressures investigated. Some localized salt damage was predicted near the bottom walls of the caverns if the caverns are operated at minimum pressure for long periods of time. Volumetric cavern closures over time due to creep were moderate to excessive depending on the salt creep properties and operating pressures. However, subsidence above the cavern field was small and should pose no problem, to surface facilities.

Composite doublers, or repair patches, provide an innovative repair technique which can enhance the way aircraft are maintained. Instead of riveting multiple steel or aluminum plates to facilitate an aircraft repair, it is possible to bond a single Boron-Epoxy composite doubler to the damaged structure. Most of the concerns surrounding composite doubler technology pertain to long-term survivability, especially in the presence of non-optimum installations, and the validation of appropriate inspection procedures. This report focuses on a series of full-scale structural and nondestructive inspection (NDI) tests that were conducted to investigate the performance of Boron-Epoxy composite doublers. Full-scale tests were conducted on fuselage panels cut from retired aircraft. These full-scale tests studied stress reductions, crack mitigation, and load transfer capabilities of composite doublers using simulated flight conditions of cabin pressure and axial stress. Also, structures which modeled key aspects of aircraft structure repairs were subjected to extreme tension, shear and bending loads to examine the composite laminate's resistance to disbond and delamination flaws. Several of the structures were loaded to failure in order to determine doubler design margins. Nondestructive inspections were conducted throughout the test series in order to validate appropriate techniques on actual aircraft structure. The test results showed that a properly designed and installed composite doubler is able to enhance fatigue life, transfer load away from damaged structure, and avoid the introduction of new stress risers (i.e. eliminate global reduction in the fatigue life of the structure). Comparisons with test data obtained prior to the doubler installation revealed that stresses in the parent material can be reduced 30%--60% through the use of the composite doubler. Tests to failure demonstrated that the bondline is able to transfer plastic strains into the doubler and that the parent aluminum skin must experience significant yield strains before any damage to the doubler will occur.

The committee regards Sandia's Microelectronics and Photonics Program as a vital and strategic resource for the nation. The Microsystems (MEMS) and Chem Lab programs were assessed as unique and best-in-class for the development of significant application areas. They contribute directly to the Sandia mission and impact the development of new commercial areas. The continued development and integration of Radiation hard silicon integrated circuits, micromechanical systems, sensors, and optical communications is essential to the national security mission. The quality of the programs is excellent to outstanding overall. MEMS and Chem Lab activities are examples of outstanding programs. The committee was pleased to see the relationship of the microelectronics development programs to applications in the mission. In a future review the committee would like to see Sandia's research programs and a vision for connectivity to potential national security needs. (This review may be based on analysis and assumptions about the strategic needs of the nation.) In summary, the Microelectronics and Photonics capability affords Sandia the opportunity to deliver exceptional service in the national interest across broad technology areas. The presentations were excellent and well integrated. We received ample pre-reading materials, expectations were well set and the documents were high quality. The committee was provided an agenda with sufficient time among us and some selected one-on-one time with the researchers. The composition of the committee held representation from industry, universities and government. Committee contributions were well balanced and worked as a team. However, the committee was disappointed that no member of Sandia executive management was able to be present for the readout and final debriefing. (A late, higher priority conflict developed.) The members of the EST Program and the committee put substantial effort into the review but a written report like this one is not a substitute for direct feedback in helping SNL leadership assess the value of these programs.

On September 24, 25, 28, and 29, 1998 and on October 19 and 23, 1998, transfer impedance measurements were made on Los Alamos National Laboratories TA 16 - Building 411 and TA 8-- Building 23 to characterize their interior open-circuit voltage response to a direct lightning flash attachment to the structures. The theory, history, measurement methods and equipment, and specific measured results are detailed. The measured results demonstrate that if the remaining metallic penetrations are bonded, then the rebar of the two structures is sufficiently well connected to form a Faraday cage that reduces the maximum open-circuit voltage inside the structure to a sufficiently low level that the required standoff distance to prevent arcing to explosive assemblies is 6.8 inches for TA 16 - Building 411 and is 11.5 inches for TA 8 - Building 23.

A human outpost on Mars requires plentiful power to assure survival of the astronauts. Anywhere from 50 to 500 kW of electric power (kWe) will be needed, depending on the number of astronauts, level of scientific activity, and life-cycle closure desired. This paper describes a 250-kWe power system based on a gas-cooled nuclear reactor with a recuperated closed Brayton cycle conversion system. The design draws upon the extensive data and engineering experience developed under the various high-temperature gas cooled reactor programs and under the SP-100 program. The reactor core is similar in power and size to the research reactors found on numerous university campuses. The fuel is uranium nitride clad in Nb1%Zr, which has been extensively tested under the SP-I 00 program. The fuel rods are arranged in a hexagonal array within a BeO block. The BeO softens the spectrum, allowing better use of the fuel and stabilizing the geometry against deformation during impact or other loadings. The system has a negative temperature feedback coefficient so that the power level will automatically follow a variable load without the need for continuous adjustment of control elements. Waste heat is removed by an air-cooled heat exchanger using cold Martian air. The amount of radioactivity in the reactor at launch is very small (less than a Curie, and about equal to a truckload of uranium ore). The system will need to be engineered so that criticality cannot occur for any launch accident. This system is also adaptable for electric propulsion or life-support during transit to and from Mars.

Thermally stimulated current and capacitance voltage methods are used to investigate the thermal stability of trapped electrons associated with radiation-induced trapped positive charge in metal-oxide-semiconductor capacitors. The density of deeply trapped electrons in radiation-hardened 45 nm oxides exceeds that of shallow electrons by a factor of {approximately}3 after radiation exposure, and by up to a factor of 10 or more during biased annealing. Shallow electron traps anneal faster than deep traps, and seem to be at least qualitatively consistent with the model of Lelis et al. Deeper traps maybe part of a fundamentally distinct dipole complex, and/or have shifted energy levels that inhibit charge exchange with the Si.

To date, few researchers have solved three-dimensional free-surface problems with dynamic wetting lines. This paper extends the free-surface finite element method described in a companion paper [Cairncross, R.A., P.R. Schunk, T.A. Baer, P.A. Sackinger, R.R. Rao, "A finite element method for free surface flows of incompressible fluid in three dimensions, Part I: Boundary-Fitted mesh motion.", to be published (1998)] to handle dynamic wetting. A generalization of the technique used in two dimensional modeling to circumvent double-valued velocities at the wetting line, the so-called kinematic paradox, is presented for a wetting line in three dimensions. This approach requires the fluid velocity normal to the contact line to be zero, the fluid velocity tangent to the contact line to be equal to the tangential component of web velocity, and the fluid velocity into the web to be zero. In addition, slip is allowed in a narrow strip along the substrate surface near the dynamic contact line. For realistic wetting-line motion, a contact angle which varies with wetting speed is required because contact lines in three dimensions typically advance or recede a different rates depending upon location and/or have both advancing and receding portions. The theory is applied to capillary rise of static fluid in a corner, the initial motion of a Newtonian droplet down an inclined plane, and extrusion of a Newtonian fluid from a nozzle onto a moving substrate. The extrusion results are compared to experimental visualization. Subject Categories

The band gap of AlXGal.XN is measured for the composition range 0s<0.45; the resulting bowing parameter, b=+O.69 eV, is compared to 20 previous works. A correlation is found between the measured band gaps and the methods used for epitaxial growth of the AlXGal_XN: directly nucleated or buffered growths of AlXGal-XN initiated at temperatures T>800 C on sapphire usually lead to stronger apparent bowing (b> +1.3 eV); while growths initiated using low-temperature buffers on sapphire, followed by high-temperature growth, lead to weaker bowing (b<+ 1.3 eV). Extant data suggests that the correct band-gap bowing parameter for AlXGal-XN is b=+O.62 (N.45) eV.

Let me begin with some comments about transparency. We all have some perception or vision about the use of transparency for nuclear technology and nuclear non-proliferation. Although we probably have some common understanding of what it implies, there is no precise definition that is agreed upon. One of the most significant ideas in transparency is that it is considered to be a voluntary or unilateral action. The party, or organization, or nation that wants its activities to be transparent voluntarily provides information to other parties with the expectation of receiving some acceptance or good will in return. The organization giving the information determines what information to provide, how much, how often, and when. This is in contrast to official treaties and monitoring regimes, in which specific verification information and activities are prescribed. This should have the advantage for the transparent organization of being less intrusive and less costly than a treaty monitoring regime. Information related to sensitive nuclear technology, proprietary processes, and physical security is more easily protected. The difficultly for both parties, the transparent organization and the information recipients, is in determining what information is necessary for the desired confidence building. It must be recognized that this state of transparency or confidence will only be achieved over an extended period of time, when history confirms that the information was reliable in conveying the true picture.

In industry, the need to maximize energy efficiency depends on the availability of suitable advanced materials. Ceramic composites are exemplary materials for many advanced engineering applications because they exhibit good thermal stability, oxidation resistance and enhanced toughness. Presently, ceramic composite fabrication processes are costly, often requiring high temperatures and pressures to achieve reasonable densities. Our research is focused on developing a processing technique, that will allow production of alumina/aluminum composites using relatively low temperatures and without the application of an external force, thus reducing the processing costs. Our composites were formed using Reactive Metal Penetration (RMP), which is a process involving the reaction of molten Al with a dense ceramic preform. The result is a near net shape ceramic/metal composite with interpenetrating phases. The volume fraction of metal in the composites was varied by doping an aluminosilicate ceramic preform with silica. For this study we fabricated composites using pure mullite and mullite doped with 23 and 42 weight percent silica, yielding 18, 25, and 30 volume percent metal in the composites, respectively. Optical and Scanning Electron Microscopy were used to characterize the homogeneity and scale of the microstructure. The scale of the microstructure varied with preform composition, the reaction temperature and with secondary heat treatments. Four-point bend testing was used to evaluate the influence of microstructure on strength and reliability. During these studies a gradient in the microstructure was observed, which we further characterized using microhardness testing. Alumina/aluminum composites formed by RMP show higher toughness then monolithic alumina and have the potential for improved reliability when compared to monolithic ceramics.

In May of 1998, a technical basis and implementation guidelines document for A Technique for Human Event Analysis (ATHEANA) was issued as a draft report for public comment (NUREG-1624). In conjunction with the release of draft NUREG- 1624, a peer review of the new human reliability analysis method its documentation and the results of an initial test of the method was held over a two-day period in June 1998 in Seattle, Washington. Four internationally known and respected experts in HK4 or probabilistic risk assessment were selected to serve as the peer reviewers. In addition, approximately 20 other individuals with an interest in HRA and ATHEANA also attended the peer and were invited to provide comments. The peer review team was asked to comment on any aspect of the method or the report in which improvements could be made and to discuss its strengths and weaknesses. They were asked to focus on two major aspects: Are the basic premises of ATHEANA on solid ground and is the conceptual basis adequate? Is the ATHEANA implementation process adequate given the description of the intended users in the documentation? The four peer reviewers asked questions and provided oral comments during the peer review meeting and provided written comments approximately two weeks after the completion of the meeting. This paper discusses their major comments.

This paper explores the geometrical errors that reduce heliostat tracking accuracy at Solar Two. The basic heliostat control architecture is described. Then, the three dominant error sources are described and their effect on heliostat tracking is visually illustrated. The strategy currently used to minimize, but not truly correct, these error sources is also shown. Finally, a novel approach to minimizing error is presented.

Abstract not provided.

The electrostriction of composites consisting of dielectric particles embedded in a gel or elastomer is discussed. It is shown that when these particles are organized by a uniaxial field before gelation, the resulting field-structured composites are expected to exhibit enhanced electrostriction in a uniform field applied along the same axis as the structuring field. The associated stresses might be large enough to form the basis of a polymer-based fast artificial muscle.

The advent of the 20-MA Z accelerator [R.B. Spielman, C. Deeney, G.A. Chandler, et al., Phys. Plasmas 5, 2105, (1997)] has enabled implosions of large diameter, high-wire-number arrays of titanium to begin testing Z-pinch K-shell scaling theories. The 2-cm long titanium arrays, which were mounted on a 40-mm diameter, produced between 75{+-}15 to 125{+-}20 kJ of K-shell x-rays. Mass scans indicate that, as predicted, higher velocity implosions in the series produced higher x-ray yields. Spectroscopic analyses indicate that these high velocity implosions achieved peak electron temperatures from 2.7{+-}0.1 to 3.2{+-}0.2 keV and obtained a K-shell emission mass participation of up to 12%.

Shock-wave experiments on iron preheated to 1,573 K conducted from 14 to 73 GPa, yield new data for sound velocities of the {gamma}- and liquid-phases. Melting was observed in the highest pressure ({approximately} 71 {+-} 2 GPa) experiments at calculated shock temperatures of 2,775 {+-} 160 K. This single crossing of the {gamma}-liquid boundary measured here agrees closely with the {gamma}-iron melting line determined by Boehler [1993], Saxena et al. [1993], and Jephcoat and Besedin [1997]. This {gamma}-iron melting curve is {approximately} 300 C lower than that of Shen et al. [1998b] at 80 GPa.

In this paper we describe a unified, hierarchical computational approach to aging and reliability problems caused by materials changes in the oxide layers of Si-based microelectronic devices. We apply this method to a particular low-dose-rate radiation effects problem

A response surface methodology-based technique is presented for treating discretization error in non-deterministic analysis. The response surface, or metamodel, is estimated from computer experiments which vary both uncertain physical parameters and the fidelity of the computational mesh. The resultant metamodel is then used to propagate the variabilities in the continuous input parameters, while the mesh size is taken to zero, its asymptotic limit. With respect to mesh size, the metamodel is equivalent to Richardson extrapolation, in which solutions on coarser and finer meshes are used to estimate discretization error. The method is demonstrated on a one dimensional prismatic bar, in which uncertainty in the third vibration frequency is estimated by propagating variations in material modulus, density, and bar length. The results demonstrate the efficiency of the method for combining non-deterministic analysis with error estimation to obtain estimates of total simulation uncertainty. The results also show the relative sensitivity of failure estimates to solution bias errors in a reliability analysis, particularly when the physical variability of the system is low.

In this paper we evaluate the design of the hybrid evolutionary algorithms (EAs) that are currently used to perform flexible ligand binding in the Autodock docking software. Hybrid EAs incorporate specialized operators that exploit domain-specific features to accelerate an EA's search. We consider hybrid EAs that use an integrated local search operator to reline individuals within each iteration of the search. We evaluate several factors that impact the efficacy of a hybrid EA, and we propose new hybrid EAs that provide more robust convergence to low-energy docking configurations than the methods currently available in Autodock.

Precision high aspect-ratio micro molds constructed by deep x-ray lithography have been used to batch fabricate accurately shaped bonded rare-earth based permanent magnets with features as small as 5 microns and thicknesses up to 500 microns. Maximum energy products of up to 8 MGOe have been achieved with a 20%/vol. epoxy bonded melt-spun isotropic Nd2Fe14b powder composite. Using individually processed sub- millimeter permanent sections multipole rotors have been assembled. Despite the fact that these permanent magnet structures are small, their magnetic field producing capability remains the same as at any scale. Combining permanent magnet structures with soft magnetic materials and micro-coils makes possible new and more efficient magnetic microdevices.

A test technique has been devised which is suitable for the testing of the bond strength of batch diffusion bonded LIGA or DXRL defined structures. The method uses a torsion tester constructed with the aid of LIGA fabrication and distributed torsion specimens which also make use of the high aspect ratio nature of DXRL based processing. Measurements reveal achieved bond strengths of 130MPa between electroplated nickel with a bond temperature of 450 C at 7 ksi pressure which is a sufficiently low temperature to avoid mechanical strength degradation.

A technique using diffusion bonding (or solid-state welding) has been used to achieve batch fabrication of two- level nickel LIGA structures. Interlayer alignment accuracy of less than 1 micron is achieved using press-fit gauge pins. A mini-scale torsion tester was built to measure the diffusion bond strength of LIGA formed specimens that has shown successful bonding at temperatures of 450"C at 7 ksi pressure with bond strength greater than 100 Mpa. Extensions to this basic process to allow for additional layers and thereby more complex assemblies as well as commensurate packaging are discussed.

Oxidation of layers of high-Al-content III-V materials by water vapor has become the enabling process for high-efficiency vertical cavity surface emitting lasers (VCSELS) and has potential applications for reducing substrate current leakage in GaAs-on-insulator (GOI) MESFETS. Because of the established importance of wet oxidation in optoelectronic devices and its potential applications in electronic devices, it has become increasingly important to understand the mechanism of wet oxidation and how it might be expected to affect both the fabrication and subsequent operation of devices that have been made using this technique. The mechanism of wet oxidation and the consequence of this mechanism for heterostructure design and ultimate device operation are discussed here.

Engineering systems are becoming increasingly complex as state of the art technologies am incorporated into designs. Surety modeling and analysis is an emerging science that permits an engineer to qualitatively and quantitatively predict and assess the completeness and predictability of a design. Surety is a term often used in the Department of Defense (DoD) and Department of Energy (DOE) communities, which refers to the integration of safety, security, reliability and performance aspects of design. Current risk assessment technologies for analyzing complex systems fail to adequately describe the problem, thus making assessment fragmented and non-integrated. To address this problem, we have developed a methodology and extensible software tool set to address model integration and complexity for high consequence systems. The MultiGraph Architecture (MGA) facilitates multi-domain, model-integrated modeling and analyses of complex, high-assurance systems. The MGA modeling environment allows the engineer to customize the modeling environment to match a design paradigm representative of the actual design. Previous modeling tools have a point-defined model space that forms the modeler to work in less than optimal environments. Current approaches for the problem to be bounded and constrained by requirements of the modeling tool and not the actual design problem. In some small cases, this is only maximally adequate MM facilitates the implementation of a surety methodology, which is used to represent high assurance systems with respect to safety and reliability. Formal mathematical models am used to correctly describe design safety and reliability functionality and behavioral fictional and behavioral representations of the design w then analyzed using commercial-off-the-shelf tools.

The authors have used low-energy electron microscopy to investigate the dynamics of the Si(111) 7 x 7 {r_arrow} 1 x 1 phase transition. Because the densities of the two phases differ, the phase transformation is analogous to precipitation in bulk systems: additional material must diffuse to the phase boundaries in order for the transformation to occur. By measuring the size evolution of an ensemble of domains, and comparing the results to simulations, they have identified a new mechanism of precipitate growth. The source of material necessary for the transformation is the random creation of atom/vacancy pairs at the surface. This mechanism contrasts sharply with classical theories of precipitation, in which mass transport kinetics determine the rate of transformation.

Relative concentrations of reactive ions, neutral radicals, resist and substrate etch products have been measured in dielectric etch chemistries using an uncollided beam mass spectrometer / ion extractor from Hiden Analytical. Analysis techniques employed include both electron impact ionization and dissociative ionization of neutral gas, and potential bias extraction of positive ions from the reactor discharge volume. Measurements were made in C{sub 2}F{sub 6} and CHF{sub 3} discharges in an inductively coupled plasma (ICP-GEC) research reactor operating with power densities, pressures, gas compositions and wafer materials typical of those found in etch processing tools. Wafer substrates investigated included blanket silicon wafers and silicon wafers with varying amounts of photo-resist coverage of the surface (20%, 80% and 100%). In C{sub 2}F{sub 6} discharges CF{sub 3}{sup +} was consistently the dominant fluorocarbon ion present, in agreement with published cross sections for dissociative ionization [ 1,2.3,4.5,6]. Smaller concentrations of CF+, CF{sub 2}{sup -}, and C{sub 2}F{sub 5}{sup +}, were also observed, though the dissociative ionization production of C{sub 2}F{sub 5}{sup +} was a factor of five smaller than would be expected from published cross section values. The presence of photo-resist, even in small amounts, was found to produce marked changes in the discharge composition. For example in C{sub 2}F{sub 6} discharges, concentrations of SiF{sub x} etch products relative to concentrations of C{sub x}F{sub y} species were notably diminished and larger concentrations of water vapor were observed when resist was present. In CHF{sub 3} discharges, CF{sub 3}{sup +} and CHF{sub 2}{sup +} were found to be the main species present, along with smaller concentrations of CF{sub 2}{sup +}, CF{sup +}, CHF{sup +}, CH{sup +} and F{sup -}.

We show that the signal and idler beams generated by certain types of unseeded, nanosecond optical parametric oscillators are tilted and angularly dispersed and have anomalously large bandwidths. This effect is demonstrated in both laboratory measurements and a numerical model. We show how the optical cavity design influences the tilts and how they can be eliminated or minimized. We also determine the conditions necessary to injection seed these parametric oscillators.

Galerkin methods are used in separable Hilbert spaces to construct and compute L{sup 2} [0,{pi}] solutions to large classes of differential equations. In this note a Galerkin method is used to construct series solutions of a nonhomogeneous Sturm-Liouville problem defined on [0,{pi}]. The series constructed are shown to converge to a specified du Bois-Reymond function f in L{sup 2} [0,{pi}]. It is then shown that the series solutions can be made to converge uniformly to the specified du Bois-Reymond function when averaged by the Ces{'a}ro-one summability method. Therefore, in the Ces{'a}ro-one sense, every continuous function f on [0,{pi}] is the uniform limit of solutions of nonhomogeneous Sturm-Liouville problems.

This paper describes the microseismic mapping of repeated injections of drill cuttings into two separate formations at a test site near Mounds, OK. Injections were performed in sandstone and shale formations at depths of 830 and 595 m, respectively. Typical injection disposal was simulated using multiple small-volume injections over a three-day period, with long shut-in periods interspersed between the injections. Microseismic monitoring was achieved using a 5-level array of wireline-run, triaxial- accelerometer receivers in a monitor well 76 m from the disposed well. Results of the mapped microseismic locations showed that the disposal domti W= generally aligns with the major horizontal stress with some variations in azimuth and that wide variations in height and length growth occurred with continued injections. These experiments show that the cuttings injection process cm be adequately monitored from a downhole, wireline-run receiver array, thus providing process control and environmental assurance.

LIGA fabricated materials and components exhibit several processing issues affecting their metallurgical and mechanical properties, potentially limiting their usefulness for MEMS applications. For example, LIGA processing by metal electrodeposition is very sensitive to deposition conditions which causes significant processing lot variations of mechanical and metallurgical properties. Furthermore, the process produces a material with a highly textured lenticular rnicrostructural morphology suggesting an anisotropic material response. Understanding and controlling out-of-plane anisotropy is desirable for LIGA components designed for out-of-plane flexures. Previous work by the current authors focused on results from a miniature servo-hydraulic mechanical test frame constructed for characterizing LIGA materials. Those results demonstrated microstructural and mechanical properties dependencies with plating bath current density in LIGA fabricated nickel (LIGA Ni). This presentation builds on that work and fosters a methodology for controlling the properties of LIGA fabricated materials through processing. New results include measurement of mechanical properties of LIGA fabricated copper (LIGA Cu), out-of-plane and localized mechanical property measurements using compression testing and nanoindentation of LIGA Ni and LIGA Cu.

The use of cross-borehole ground penetrating radar (GPR) imaging for determining g the two dimensional (2D) in situ moisture content distribution within the vadose zone is being investigated. The ultimate goal is to use the GPR images as input to a 2D hydrologic inversion scheme for recovering the van Genuchten parameters governing unsaturated ,hydraulic flow. Initial experiments conducted on synthetic data have shown that at least in theory, cross-borehole GPR measurements can provide realistic estimates of the spatial variation in moisture content that are needed for this type of hydrologic inversion scheme. However, the method can not recover exact values of moisture content due to the break down of the empirical expression often employed to convert GPR velocity images to moisture content, and to the smearing nature of the imaging algorithm. To test the applicability of this method in a real world environment cross- borehole GPR measurements were made at a hydrologic/geophysical vadose zone test site in Socorro, New Mexico. Results show that the GPR images compare well with the uncalibrated borehole neutron log data. GPR data acquisition will continue once an infiltration test has started, and the results from these measurements will be employed in a 2D hydrologic inverse scheme.

We are developing a method for analysis of airborne microparticles based on laser ablation of individual molecules in an ion trap mass spectrometer. Airborne particles enter the spectrometer through a differentially-pumped inlet, are detected by light scattered from two CW laser beams, and sampled by a pulsed excimer laser as they pass through the center of the ion trap electrodes. After the laser pulse, the stored ions are separated by conventional ion trap methods. The mass spectra are then analyzed using genetically-trained neural networks (NNs). A number of mass spectra are averaged to obtain training cases which contain a recognizable spectral signature. Averaged spectra for a bacteria and a non-bacteria are shown to the NNs, the response evaluated, and the weights of the connections between neurodes adjusted by a Genetic Algorithm (GA) such that the output from the NN ranges from 0 for non-bacteria to 1 for bacteria. This process is iterated until the population of the GA converges or satisfies predetermined stopping criteria. Using this type of bipolar training we have obtained generalizing NNs able to distinguish five new bacteria from five new non-bacteria, none of which were used in training the NN.

Calculating safety and reliability probabilities with functions of uncertain variables can yield incorrect or misleading results if some precautions are not taken. One important consideration is the application of constrained mathematics for calculating probabilities for functions that contain repeated variables. This paper includes a description of the problem and develops a methodology for obtaining an accurate solution.

The Information-efficient Spectral Imaging Sensor (ISIS) approach to spectral imaging seeks to bridge the gap between tuned multispectral and fixed hyperspectral imaging sensors. By allowing the definition of completely general spectral filter functions, truly optimal measurements can be made for a given task. These optimal measurements significantly improve signal-to-noise ratio (SNR) and speed, minimize data volume and data rate, while preserving classification accuracy. The following paper investigates the application of the ISIS sensing approach in two sample biomedical applications: prostate and colon cancer screening. It is shown that in these applications, two to three optimal measurements are sufficient to capture the majority of classification information for critical sample constituents. In the prostate cancer example, the optimal measurements allow 8% relative improvement in classification accuracy of critical cell constituents over a red, green, blue (RGB) sensor. In the colon cancer example, use of optimal measurements boost the classification accuracy of critical cell constituents by 28% relative to the RGB sensor. In both cases, optimal measurements match the performance achieved by the entire hyperspectral data set. The paper concludes that an ISIS style spectral imager can acquire these optimal spectral images directly, allowing improved classification accuracy over an RGB sensor. Compared to a hyperspectral sensor, the ISIS approach can achieve similar classification accuracy using a significantly lower number of spectral samples, thus minimizing overall sample classification time and cost.

The MELCOR and VICTORIA severe accident analysis codes, which were developed at Sandia National Laboratories for the U. S. Nuclear Regulatory Commission, are designed to estimate fission product releases during nuclear reactor accidents in light water reactors. MELCOR is an integrated plant-assessment code that models the key phenomena in adequate detail for risk-assessment purposes. VICTORIA is a more specialized fission- product code that provides detailed modeling of chemical reactions and aerosol processes under the high-temperature conditions encountered in the reactor coolant system during a severe reactor accident. This paper focuses on recent enhancements and assessments of the two codes in the area of fission product chemistry modeling. Recently, a model for iodine chemistry in aqueous pools in the containment building was incorporated into the MELCOR code. The model calculates dissolution of iodine into the pool and releases of organic and inorganic iodine vapors from the pool into the containment atmosphere. The main purpose of this model is to evaluate the effect of long-term revolatilization of dissolved iodine. Inputs to the model include dose rate in the pool, the amount of chloride-containing polymer, such as Hypalon, and the amount of buffering agents in the containment. Model predictions are compared against the Radioiodine Test Facility (RTF) experiments conduced by Atomic Energy of Canada Limited (AECL), specifically International Standard Problem 41. Improvements to VICTORIA's chemical reactions models were implemented as a result of recommendations from a peer review of VICTORIA that was completed last year. Specifically, an option is now included to model aerosols and deposited fission products as three condensed phases in addition to the original option of a single condensed phase. The three-condensed-phase model results in somewhat higher predicted fission product volatilities than does the single-condensed-phase model. Modeling of U02 thermochemistry was also improved, and results in better prediction of vaporization of uranium from fuel, which can react with released fission products to affect their volatility. This model also improves the prediction of fission product release rates from fuel. Finally, recent comparisons of MELCOR and VICTORIA with International Standard Problem 40 (STORM) data are presented. These comparisons focus on predicted therrnophoretic deposition, which is the dominant deposition mechanism. Sensitivity studies were performed with the codes to examine experimental and modeling uncertainties.

We have performed Monte Carlo calculations to determine the charge accumulation on threading edge dislocations in GaN as a function of the dislocation density and background dopant density. Four possible core structures have been examined, each of which produces defect levels in the gap and may therefore act as electron or hole traps. Our results indicate that charge accumulation, and the resulting electrostatic interactions, can change the relative stabilities of the different core structures. Structures having Ga and N vacancies at the dislocation core are predicted to be stable under nitrogen-rich and gallium-rich growth conditions, respectively. Due to dopant depletion at high dislocation density and the multitude of charge states, the line charge exhibits complex crossover behavior as the dopant and dislocation densities vary.

The linewidth enhancement factor in single quantum-well GRINSCH semiconductor lasers is investigated theoretically and experimentally. For thin wells a small linewidth enhancement factor is obtained which clamps with increasing carrier density, in contrast to the monotonous increase observed for thicker wells. Microscopic many-body calculations reproduce the experimental observations attributing the clamping to a subtle interplay between excitation dependent gain shifts and carrier population distributions.

InGaAsN is a new semiconductor alloy system with the remarkable property that the inclusion of only 2% nitrogen reduces the bandgap by more than 30%. In order to help understand the physical origin of this extreme deviation from the typically observed nearly linear dependence of alloy properties on concentration, we have investigated the pressure dependence of state energies using both experimental and theoretical methods. the excited We report measurements of the low temperature photoluminescence of the material for pressures between ambient and 110 kbar. We also describe a simple, density- functional-theory-based approach to calculating the pressure dependence of low lying excitation energies for low concentration alloys. The theoretically predicted pressure dependence of the bandgap is in excellent agreement with the experimental data. Based on the results of our calculations, we suggest an explanation for the strongly non-linear pressure dependence of the bandgap that, surprisingly, does not involve a nitrogen impurity state.

A low energy electron microscope (LEEM) has been used to investigate the faceting of W(111) as induced by Pt. The atomically rough W(111) surface, when fully covered with a monolayer film of Pt and annealed to temperatures higher than {approximately} 750 K, experiences a significant morphological restructuring: the initially planar surface undergoes a faceting transition and forms three-sided pyramids with {211} faces. The experiments demonstrate the capability of LEEM for imaging both the fully and partially faceted surface. In addition, we have observed the formation of the facets in real time, when Pt is dosed onto the heated surface. We find that the transition from planar surface, to partially faceted surface, and to fully faceted surface proceeds through the nucleation and growth of spatially separated faceted regions.