Publications

This paper describes mechanical designed concepts for a class of pivoting micromirrors that permit relatively large angles of orientation to be obtained when configured in large arrays. Micromirror arrays can be utilized in a variety of applications ranging from optical switching to beam-front correction in a variety of technologies. This particular work is concerned with silicon surface micromachining. The multi-layer polysilicon surface micromachined process developed at Sandia National Laboratories is used to fabricate micromirror arrays that consists of capacitive electrode pairs which are used to electrostatically actuator mirrors to their desired positions and suitable elastic suspensions which support the 2 micrometers thick mirror structures. The designs described have been fabricated and successfully operated.

The thermal conductivity of 304 stainless steel has been estimated from transient temperature measurements and knowing the volumetric heat capacity. Sensitivity coefficients were used to guide the design of this experiment as well as to estimate the confidence interval in the estimated thermal conductivity. The uncertainty on the temperature measurements was estimated by several means, and its impact on the estimated conductivity is discussed. The estimated thermal conductivity of 304 stainless steel is consistent with results from other sources.

In the present study, 10 impact tests were conducted on unpoled PZT 95/5, with 9% porosity and 2 at% Nb doping. These tests were instrumented to obtain time-resolved loading, unloading and span signatures. As well, PVDF gauges allowed shock timing to be established explicitly. The ferroelectric/antiferroelectric phases transition was manifested as a ramp to 0.4 GPa. The onset of crushup produced the most visible signature: a clear wave separation at 2.2 GPa followed by a highly dispersive wave. The end states also reflected crushup, and are consistent with earlier data and with related poled experiments. A span strength value of 0.17 GPa was measured for a shock stress of 0.5 GPa, this decreased to a very small value (no visible pullback signature) for a shock strength of 1.85 GPa.

Two programs have been written in C++ to greatly automate the process of computer simulation visualization inmost cases. These programs, rasterize.C and tracker.C, can be used to generate numerous images in order to create a video or still ties. In order to limit the amount of time and work involved in visualizing simulations, both of these programs have their own specific output formats. The first output format, from rasterize.C, is best suited for those who need only to visualize the actions of a single element, or elements that work on roughly the same time scale. The second format, from tracker.C, is best suited for simulations which involve multiple elements that work on different time scales and thus must be represented in a manner other than straight forward visualization.

Designing products for easy assembly and disassembly during their entire life cycles for purposes including product assembly, product upgrade, product servicing and repair, and product disposal is a process that involves many disciplines. In addition, finding the best solution often involves considering the design as a whole and by considering its intended life cycle. Different goals and manufacturing plan selection criteria, as compared to initial assembly, require re-visiting significant fundamental assumptions and methods that underlie current assembly planning techniques. Previous work in this area has been limited to either academic studies of issues in assembly planning or to applied studies of life cycle assembly processes that give no attention to automatic planning. It is believed that merging these two areas will result in a much greater ability to design for, optimize, and analyze the cycle assembly processes. The study of assembly planning is at the very heart of manufacturing research facilities and academic engineering institutions; and, in recent years a number of significant advances in the field of assembly planning have been made. These advances have ranged from the development of automated assembly planning systems, such as Sandia's Automated Assembly Analysis System Archimedes 3.0{copyright}, to the startling revolution in microprocessors and computer-controlled production tools such as computer-aided design (CAD), computer-aided manufacturing (CAM), flexible manufacturing systems (EMS), and computer-integrated manufacturing (CIM). These results have kindled considerable interest in the study of algorithms for life cycle related assembly processes and have blossomed into a field of intense interest. The intent of this manuscript is to bring together the fundamental results in this area, so that the unifying principles and underlying concepts of algorithm design may more easily be implemented in practice.

Automatic assembly sequencing and visualization tools are valuable in determining the best assembly sequences, but without Human Factors and Figure Models (HFFMs) it is difficult to evaluate or visualize human interaction. In industry, accelerating technological advances and shorter market windows have forced companies to turn to an agile manufacturing paradigm. This trend has promoted computerized automation of product design and manufacturing processes, such as automated assembly planning. However, all automated assembly planning software tools assume that the individual components fly into their assembled configuration and generate what appear to be a perfectly valid operations, but in reality the operations cannot physically be carried out by a human. Similarly, human figure modeling algorithms may indicate that assembly operations are not feasible and consequently force design modifications; however, if they had the capability to quickly generate alternative assembly sequences, they might have identified a feasible solution. To solve this problem HFFMs must be integrated with automated assembly planning to allow engineers to verify that assembly operations are possible and to see ways to make the designs even better. Factories will very likely put humans and robots together in cooperative environments to meet the demands for customized products, for purposes including robotic and automated assembly. For robots to work harmoniously within an integrated environment with humans the robots must have cooperative operational skills. For example, in a human only environment, humans may tolerate collisions with one another if they did not cause much pain. This level of tolerance may or may not apply to robot-human environments. Humans expect that robots will be able to operate and navigate in their environments without collisions or interference. The ability to accomplish this is linked to the sensing capabilities available. Current work in the field of cooperative automation has shown the effectiveness of humans and machines directly interacting to perform tasks. To continue to advance this area of robotics, effective means need to be developed to allow natural ways for people to communicate and cooperate with robots just as they do with one another.

Experiments have been performed using a coaxial end-effector to combine a focused laser beam and a plasma arc. The device employs a hollow tungsten electrode, a focusing lens, and conventional plasma arc torch nozzles to co-locate the focused beam and arc on the workpiece. Plasma arc nozzles were selected to protect the electrode from laser generated metal vapor. The project goal is to develop an improved fusion welding process that exhibits both absorption robustness and deep penetration for small scale (<1.5 mm thickness) applications. On aluminum alloys 6061 and 6111, the hybrid process has been shown to eliminate hot cracking in the fusion zone. Fusion zone dimensions for both stainless steel and aluminum were found to be wider than characteristic laser welds, and deeper than characteristic plasma arc welds.

Due to extreme surface to volume ratios, adhesion and friction are critical properties for reliability of Microelectromechanical Systems (MEMS), but are not well understood. In this LDRD the authors established test structures, metrology and numerical modeling to conduct studies on adhesion and friction in MEMS. They then concentrated on measuring the effect of environment on MEMS adhesion. Polycrystalline silicon (polysilicon) is the primary material of interest in MEMS because of its integrated circuit process compatibility, low stress, high strength and conformal deposition nature. A plethora of useful micromachined device concepts have been demonstrated using Sandia National Laboratories' sophisticated in-house capabilities. One drawback to polysilicon is that in air the surface oxidizes, is high energy and is hydrophilic (i.e., it wets easily). This can lead to catastrophic failure because surface forces can cause MEMS parts that are brought into contact to adhere rather than perform their intended function. A fundamental concern is how environmental constituents such as water will affect adhesion energies in MEMS. The authors first demonstrated an accurate method to measure adhesion as reported in Chapter 1. In Chapter 2 through 5, they then studied the effect of water on adhesion depending on the surface condition (hydrophilic or hydrophobic). As described in Chapter 2, they find that adhesion energy of hydrophilic MEMS surfaces is high and increases exponentially with relative humidity (RH). Surface roughness is the controlling mechanism for this relationship. Adhesion can be reduced by several orders of magnitude by silane coupling agents applied via solution processing. They decrease the surface energy and render the surface hydrophobic (i.e. does not wet easily). However, only a molecular monolayer coats the surface. In Chapters 3-5 the authors map out the extent to which the monolayer reduces adhesion versus RH. They find that adhesion is independent of RH up to a threshold value, depending on the coating chemistry. The mechanism for the adhesion increase beyond this threshold value is that the coupling agent reconfigures from a surface to a bulk phase (Chapter 3). To investigate the details of how the adhesion increase occurs, the authors developed the mechanics for adhesion hysteresis measurements. These revealed that near-crack tip compression is the underlying cause of the adhesion increase (Chapter 4). A vacuum deposition chamber for silane coupling agent deposition was constructed. Results indicate that vapor deposited coatings are less susceptible to degradation at high RH (Chapter 5). To address issues relating to surfaces in relative motion, a new test structure to measure friction was developed. In contrast to other surface micromachined friction test structures, uniform apparent pressure is applied in the frictional contact zone (Chapter 6). The test structure will enable friction studies over a large pressure and dynamic range. In this LDRD project, the authors established an infrastructure for MEMS adhesion and friction metrology. They then characterized in detail the performance of hydrophilic and hydrophobic films under humid conditions, and determined mechanisms which limit this performance. These studies contribute to a fundamental understanding for MEMS reliability design rules. They also provide valuable data for MEMS packaging requirements.

Conventional methods of gathering forensic evidence at crime scenes are encumbered by difficulties that limit local law enforcement efforts to apprehend offenders and bring them to justice. Working with a local law-enforcement agency, Sandia National Laboratories has developed a prototype multispectral imaging system that can speed up the investigative search task and provide additional and more accurate evidence. The system, called the Criminalistics Light-imaging Unit (CLU), has demonstrated the capabilities of locating fluorescing evidence at crime scenes under normal lighting conditions and of imaging other types of evidence, such as untreated fingerprints, by direct white-light reflectance. CLU employs state of the art technology that provides for viewing and recording of the entire search process on videotape. This report describes the work performed by Sandia to design, build, evaluate, and commercialize CLU.

Z pinches, the oldest fusion concept, have recently been revisited in light of significant advances in the fields of plasma physics and pulsed power engineering. The possibility exists for z-pinch fusion to play a role in commercial energy applications. We report on work to develop z-pinch fusion concepts, the result of an extensive literature search, and the output for a congressionally-mandated workshop on fusion energy held in Snowmass, Co July 11-23,1999.

This paper compares the cost and effectiveness of several potential options that may be used to monitor silo-based ballistic missiles. Silo door monitoring can be used to verify that warheads removed to deactivate or download silo-based ballistic missiles have not been replaced. A precedent for monitoring warhead replacement using reentry vehicle on site inspections (RV-OSIs) and using satellites has been established by START-I and START-II. However, other monitoring options have the potential to be less expensive and more effective. Three options are the most promising if high verification confidence is desired: random monitoring using door sensors; random monitoring using manned or unmanned aircraft; and continuous remote monitoring using unattended door sensors.

The detailed understanding of the formation and evolution of plasma from rapidly heated metallic wires is a long-standing challenge in the field of plasma physics and in exploding wire engineering. This physical process is made even more complicated if the wire material is composed of a number of individual layers. The authors have successfully developed both optical and x-ray backlighting diagnostics. In particular, the x-ray backlighting technique has demonstrated the capability for quantitative determination of the plasma density over a wide range of densities. This diagnostic capability shows that the process of plasma formation is composed of two separate phases: first, current is passed through a cold wire and the wire is heated ohmically, and, second, the heated wire evolves gases that break down and forms a low-density plasma surrounding the wire.

Production of the molybdenum-99 isotope at the Annular Core Research Reactor requires highly enriched, uranium oxide loaded targets to be irradiated for several days in the high neutron-flux region of the core. This report presents the safety analysis for the irradiation of up to seven Cintichem-type targets in the central region of the core and compares the results to the Annular Core Research Reactor Safety Analysis Report. A 19 target grid configuration is presented that allows one to seven targets to be irradiated, with the remainder of the grid locations filled with aluminum ''void'' targets. Analyses of reactor, neutronic, thermal hydraulics, and heat transfer calculations are presented. Steady-state operation and accident scenarios are analyzed with the conclusion that the reactor can be operated safely with seven targets in the grid, and no additional risk to the public.

The bio-terrorism threat has become the ''poor man's'' nuclear weapon. The ease of manufacture and dissemination has allowed an organization with only rudimentary skills and equipment to pose a significant threat with high consequences. This report will analyze some of the most likely agents that would be used, the ease of manufacture, the ease of dissemination and what characteristics of the public health response that are particularly important to the successful characterization of a high consequence event to prevent excessive causalities.

Two new failure analysis techniques have been developed for backside and front side localization of open and shorted interconnections on ICs. These scanning optical microscopy techniques take advantage of the interactions between IC defects and localized heating using a focused infrared laser ({lambda} = 1,340 nm). Images are produced by monitoring the voltage changes across a constant current supply used to power the IC as the laser beam is scanned across the sample. The methods utilize the Seebeck Effect to localize open interconnections and Thermally-Induced Voltage Alteration (TIVA) to detect shorts. Initial investigations demonstrated the feasibility of TIVA and Seebeck Effect Imaging (SEI). Subsequent improvements have greatly increased the sensitivity of the TIVA/SEI system, reducing the acquisition times by more than 20X and localizing previously unobserved defects. The interaction physics describing the signal generation process and several examples demonstrating the localization of opens and shorts are described. Operational guidelines and limitations are also discussed. The system improvements, non-linear response of IC defects to heating, modeling of laser heating and examples using the improved system for failure analysis are presented.

This report focuses on the relationship between the fundamental interactions acting across an interface and macroscopic engineering observable such as fracture toughness or fracture stress. The work encompasses experiment, theory, and simulation. The model experimental system is epoxy on polished silicon. The interfacial interactions between the substrate and the adhesive are varied continuously using self-assembling monolayer. Fracture is studied in two specimen geometries: a napkin-ring torsion geometry and a double cantilevered beam specimen. Analysis and modeling involves molecular dynamics simulations and continuum mechanics calculations. Further insight is gained from analysis of measurements in the literature of direct force measurements for various fundamental interactions. In the napkin-ring test, the data indicate a nonlinear relationship between interface strength and fracture stress. In particular, there is an abrupt transition in fracture stress which corresponds to an adhesive-to-cohesive transition. Such nonlinearity is not present in the MD simulations on the tens-of-nanometer scale, which suggests that the nonlinearity comes from bulk material deformation occurring on much larger length scales. We postulate that the transition occurs when the interface strength becomes comparable to the yield stress of the material. This postulate is supported by variation observed in the fracture stress curve with test temperature. Detailed modeling of the stress within the sample has not yet been attempted. In the DCB test, the relationship between interface strength and fracture toughness is also nonlinear, but the fracture mechanisms are quite different. The fracture does not transition from adhesive to cohesive, but remains adhesive over the entire range of interface strength. This specimen is modeled quantitatively by combining (i) continuum calculations relating fracture toughness to the stress at 90 {angstrom} from the crack tip, and (ii) a relationship from molecular simulations between fracture stress on a {approx} 90 {angstrom} scale and the fraction of surface sites which chemically bond. The resulting relationship between G{sub c} and fraction of bonding sites is then compared to the experimental data. This first order model captures the nonlinearity in the experimentally-determined relationship. A much more extensive comparison is needed (calculations extending to higher G{sub c} values, experimental data extending to lower G{sub c} values) to guide further model development.

Three reactive materials were evaluated at laboratory scale to identify the optimum treatment reagent for use in a Permeable Reactive Barrier Treatment System at Rocky Flats Environmental Technology Site (RFETS). The contaminants of concern (COCS) are uranium, TCE, PCE, carbon tetrachloride, americium, and vinyl chloride. The three reactive media evaluated included high carbon steel iron filings, an iron-silica alloy in the form of a foam aggregate, and a peculiar 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 least expensive 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 fill-scale demonstration of the reactive barrier technology. Additional design parameters including saturated hydraulic conductivity, treatment residence time, and head loss across the media were also determined and provided to the design team in support of the final design. The final design was completed by the Corps of Engineers in 1997 and the system was constructed in the summer of 1998. The treatment system began fill operation in December, 1998 and despite a few problems has been operational since. Results to date are consistent with the lab and pilot scale findings, i.e., complete removal of the contaminants of concern (COCs) prior to discharge to meet RFETS cleanup requirements. Furthermore, it is fair to say at this point in time that laboratory developed design parameters for the reactive barrier technology are sufficient for fuel scale design; however,the treatment system longevity and the long-term fate of the contaminants are questions that remain unanswered. This project along with others such as the Durango, CO and Monticello, UT reactive barriers will provide the data to determine the long-term effectiveness and return on investment (ROI) for this technology for comparison to the baseline pump and treat.

The burgeoning new technology of Micro-Electro-Mechanical Systems (MEMS) shows great promise in the weapons arena. We can now conceive of micro-gyros, micro-surety systems, and micro-navigators that are extremely small and inexpensive. Do we want to use this new technology in critical applications such as nuclear weapons? This question drove us to understand the reliability and failure mechanisms of silicon surface-micromachined MEMS. Development of a testing infrastructure was a crucial step to perform reliability experiments on MEMS devices and will be reported here. In addition, reliability test structures have been designed and characterized. Many experiments were performed to investigate failure modes and specifically those in different environments (humidity, temperature, shock, vibration, and storage). A predictive reliability model for wear of rubbing surfaces in microengines was developed. The root causes of failure for operating and non-operating MEMS are discussed. The major failure mechanism for operating MEMS was wear of the polysilicon rubbing surfaces. Reliability design rules for future MEMS devices are established.

The authors have developed diode lasers for short pulse duration and high peak pulse power in the 0.01--100.0 m pulsewidth regime. A primary goal of the program was producing up to 10 W while maintaining good far-field beam quality and ease of manufacturability for low cost. High peak power, 17 W, picosecond pulses have been achieved by gain switching of flared geometry waveguide lasers and amplifiers. Such high powers area world record for this type of diode laser. The light emission pattern from diode lasers is of critical importance for sensing systems such as range finding and chemical detection. They have developed a new integrated optical beam transformer producing rib-waveguide diode lasers with a symmetric, low divergence, output beam and increased upper power limits for irreversible facet damage.

A variety of organic and hybrid organic-inorganic polymer systems were prepared and evaluated for their bulk response to optical, thermal and chemical environmental changes. These included modeling studies of polyene-bridged metal porphyrin systems, metal-mediated oligomerization of phosphaalkynes as heteroatomic analogues to polyacetylene monomers, investigations of chemically amplified degradation of acid- and base-sensitive polymers and thermally responsive thermoplastic thermosets based on Diels-Alder cycloaddition chemistry. The latter class of materials was utilized to initiate work to develop a new technique for rapidly building a library of systems with varying depolymerization temperatures.

The LDRD entitled ``Role of Defects in III-Nitride Based Devices'' is aimed to place Sandia National Laboratory at the forefront of the field of GaN materials and devices by establishing a scientific foundation in areas such as material growth, defect characterization/modeling, and processing (metalization and etching) chemistry. In this SAND report the authors summarize their studies such as (1) the MOCVD growth and doping of GaN and AlGaN, (2) the characterization and modeling of hydrogen in GaN, including its bonding, diffusion, and activation behaviors, (3) the calculation of energetic of various defects including planar stacking faults, threading dislocations, and point defects in GaN, and (4) dry etching (plasma etching) of GaN (n- and p-types) and AlGaN. The result of the first AlGaN/GaN heterojunction bipolar transistor is also presented.

QUICKSILVER is a 3-d electromagnetic particle-in-cell simulation code developed and used at Sandia to model relativistic charged particle transport. It models the time-response of electromagnetic fields and low-density-plasmas in a self-consistent manner: the fields push the plasma particles and the plasma current modifies the fields. Through an LDRD project a new parallel version of QUICKSILVER was created to enable large-scale plasma simulations to be run on massively-parallel distributed-memory supercomputers with thousands of processors, such as the Intel Tflops and DEC CPlant machines at Sandia. The new parallel code implements nearly all the features of the original serial QUICKSILVER and can be run on any platform which supports the message-passing interface (MPI) standard as well as on single-processor workstations. This report describes basic strategies useful for parallelizing and load-balancing particle-in-cell codes, outlines the parallel algorithms used in this implementation, and provides a summary of the modifications made to QUICKSILVER. It also highlights a series of benchmark simulations which have been run with the new code that illustrate its performance and parallel efficiency. These calculations have up to a billion grid cells and particles and were run on thousands of processors. This report also serves as a user manual for people wishing to run parallel QUICKSILVER.

A phenomenological model was developed for multicomponent transport of charged species with simultaneous electrochemical reactions in concentrated solutions, and was applied to model processes in a thermal battery cell. A new general framework was formulated and implemented in GOMA (a multidimensional, multiphysics, finite-element computer code developed and being enhanced at Sandia) for modeling multidimensional, multicomponent transport of neutral and charged species in concentrated solutions. The new framework utilizes the Stefan-Maxwell equations that describe multicomponent diffusion of interacting species using composition-insensitive binary diffusion coefficients. The new GOMA capability for modeling multicomponent transport of neutral species was verified and validated using the model problem of ternary gaseous diffusion in a Stefan tube. The new GOMA-based thermal battery computer model was verified using an idealized battery cell in which concentration gradients are absent; the full model was verified by comparing with that of Bernardi and Newman (1987) and validated using limited thermal battery discharge-performance data from the open literature (Dunning 1981) and from Sandia (Guidotti 1996). Moreover, a new Liquid Chemkin Software Package was developed, which allows the user to handle manly aspects of liquid-phase kinetics, thermodynamics, and transport (particularly in terms of computing properties). Lastly, a Lattice-Boltzmann-based capability was developed for modeling pore- or micro-scale phenomena involving convection, diffusion, and simplified chemistry; this capability was demonstrated by modeling phenomena in the cathode region of a thermal battery cell.

This project represented a coordinated LLNL-SNL collaboration to investigate the feasibility of developing radiation-hardened magnetic non-volatile memories using giant magnetoresistance (GMR) materials. The intent of this limited-duration study was to investigate whether giant magnetoresistance (GMR) materials similar to those used for magnetic tunnel junctions (MTJs) were process compatible with functioning CMOS circuits. Sandia's work on this project demonstrated that deposition of GMR materials did not affect the operation nor the radiation hardness of Sandia's rad-hard CMOS technology, nor did the integration of GMR materials and exposure to ionizing radiation affect the magnetic properties of the GMR films. Thus, following deposition of GMR films on rad-hard integrated circuits, both the circuits and the films survived ionizing radiation levels consistent with DOE mission requirements. Furthermore, Sandia developed techniques to pattern deposited GMR films without degrading the completed integrated circuits upon which they were deposited. The present feasibility study demonstrated all the necessary processing elements to allow fabrication of the non-volatile memory elements onto an existing CMOS chip, and even allow the use of embedded (on-chip) non-volatile memories for system-on-a-chip applications, even in demanding radiation environments. However, funding agencies DTRA, AIM, and DARPA did not have any funds available to support the required follow-on technology development projects that would have been required to develop functioning prototype circuits, nor were such funds available from LDRD nor from other DOE program funds.

Nuclear power is an important and, the authors believe, essential component of a secure nuclear future. Although nuclear fuel cycles create materials that have some potential for use in nuclear weapons, with appropriate fuel cycles, nuclear power could reduce rather than increase real proliferation risk worldwide. Future fuel cycles could be designed to avoid plutonium production, generate minimal amounts of plutonium in proliferation-resistant amounts or configurations, and/or transparently and efficiently consume plutonium already created. Furthermore, a strong and viable US nuclear infrastructure, of which nuclear power is a large element, is essential if the US is to maintain a leadership or even participatory role in defining the global nuclear infrastructure and controlling the proliferation of nuclear weapons. By focusing on new fuel cycles and new reactor technologies, it is possible to advantageously burn and reduce nuclear materials that could be used for nuclear weapons rather than increase and/or dispose of these materials. Thus, the authors suggest that planners for a secure nuclear future use technology to design an ideal future. In this future, nuclear power creates large amounts of virtually atmospherically clean energy while significantly lowering the threat of proliferation through the thoughtful use, physical security, and agreed-upon transparency of nuclear materials. The authors must develop options for policy makers that bring them as close as practical to this ideal. Just as Atoms for Peace became the ideal for the first nuclear century, they see a potential nuclear future that contributes significantly to power for peace and prosperity.

A measurement system's components: cabling, delay line, waveform recorder, etc., degrade acquired signals and their respective bandlimited frequency responses. Compensation software corrects for this frequency-dependent spectral degradation by deconvolving the transfer function of the entire measurement system out of the measured signal spectra. This report describes methods to transfer the characteristics of a wide bandwidth repetitive sampling oscilloscope to a single-shot transient digitizer, characterize the measurement system, develop a cascaded transition-band filter, and compensate data acquired with the filtered, characterized measurement system. These procedures are easily implemented, execute quickly, and successfully compensate waveforms possessing endpoint discontinuities. Waveforms possessing endpoint discontinuities are made to appear duration-limited and continuous. The spectra for these modified waveforms are correct, including at dc. The deconvolution process introduces unavoidable noise. Filtering is applied to reduce the deconvolution noise while minimally affecting compensated waveform risetime and amplitude. Resultant compensated data retains its initial dc baseline offset with improved waveform fidelity and low noise of deconvolution.

Thermal oxide and PETEOS oxide surfaces, polished on an IPEC 472 with different combinations of polish pad, slurry, and polishing conditions, were studied with ex situ atomic force microscopy. The post polish surfaces were analyzed qualitatively by visual inspection and quantitatively by spectral and scaling analyses. Spectral and scaling analyses gave consistent interpretations of morphology evolution. Polishing with either a fixed abrasive pad or alumina-based slurry occurred via a mechanism for which asperities are removed and recesses are filled. A sputtering-type mechanism may contribute to material removal when polishing with silica- or ceria-based slurries.

Conventional electroactive stack components in thermal batteries are constructed from pressed-powder parts. These include the anode, separator, and cathode pellets (discs). Pressing parts that are less than 0.010 inch thick is difficult. The use of plasma spray to deposit thin CoS{sub 2} cathode films onto a stainless steel substrate was examined as an alternative to pressed-powder cathodes. The plasma-sprayed electrodes were tested in single cells under isothermal conditions and constant-current discharge over a temperature range of 400 C to 550 C using standard LiSi anodes and separators based on the LiCl-KCl eutectic. Similar tests were conducted with cells built with conventional pressed-powder cathodes, which were tested under the same conditions for comparative purposes. This paper presents the results of those tests.

A Total System Performance Assessment (TSPA) of Yucca Mountain consists of integrated sub-models and analyses of natural and engineered systems. Examples of subsystem models include unsaturated-zone flow and transport, seepage into drifts, coupled thermal hydrologic processes, transport through the engineered barrier system, and saturated-zone flow and transport. The TSPA evaluates the interaction of important processes among these subsystems, and it determines the impact of these processes on the overall performance measures (e.g., dose rate to humans). This paper summarizes the evaluation, abstraction, and combination of these subsystem models in a TSPA calculation, and it provides background on the individual TSPA subsystem components that are most directly impacted by geotechnical issues. The potential impact that geologic features, events, and processes have on the overall performance is presented, and an evaluation of the sensitivity of TSPA calculations to these issues is also provided.

Monte Carlo simulations of phosphate tetrahedron connectivity distributions in alkali and alkaline earth phosphate glasses are reported. By utilizing a discrete bond model, the distribution of next-nearest neighbor connectivities between phosphate polyhedron for random, alternating and clustering bonding scenarios was evaluated as a function of the relative bond energy difference. The simulated distributions are compared to experimentally observed connectivities reported for solid-state two-dimensional exchange and double-quantum NMR experiments of phosphate glasses. These Monte Carlo simulations demonstrate that the polyhedron connectivity is best described by a random distribution in lithium phosphate and calcium phosphate glasses.

A substantial decrease in hydrostatic ferroelectric (FE) to antiferroelectric (AFE) transformation pressure was measured for Pb(Zr{sub 0.949}Ti{sub 0.051}){sub 0.989}Nb{sub 0.0182}O{sub 3} ceramics with decreasing grain size. The 150 MPa decrease in hydrostatic FE to AFE transformation pressure over the grain size range of 8.5 {micro}m to 0.7{micro}m was shown to be consistent with enhanced internal stress with decreasing grain size. Further, the Curie Point decreased and the dielectric constant measured at 25 C increased with decreasing grain size. All three properties: dielectric constant magnitude, Curie point shift and FE to AFE phase transformation pressure were shown to be semi-quantitatively consistent with internal stress differences on the order of 100 MPa. Calculations of Curie point shifts from the Clausius-Clapeyron equation, using internal stress levels derived from the hydrostatic depoling characteristics, were consistent with measured values.

The longevity of high gain GaAs photoconductive semiconductor switches (PCSS) has been extended to over 100 million pulses. This was achieved by improving the ohmic contacts through the incorporation of a doped layer that is very effective in the suppression of filament formation, alleviating current crowding. Damage-free operation is now possible with virtually infinite expected lifetime at much higher current levels than before. The inherent damage-free current capacity of the bulk GaAs itself depends on the thickness of the doped layers and is at least 100A for a dopant diffusion depth of 4pm. The contact metal has a different damage mechanism and the threshold for damage ({approx}40A) is not further improved beyond a dopant diffusion depth of about 2{micro}m. In a diffusion-doped contact switch, the switching performance is not degraded when contact metal erosion occurs, unlike a switch with conventional contacts. This paper will compare thermal diffusion and epitaxial growth as approaches to doping the contacts. These techniques will be contrasted in terms of the fabrication issues and device characteristics.

Microstructural evolution due to aging of solder alloys determines their long-term reliability as electrical, mechanical and thermal interconnects in electronics packages. The ability to accurately determine the reliability of existing electronic components as well as to predict the performance of proposed designs depends upon the development of reliable material models. A kinetic Monte Carlo simulation was used to simulate microstructural evolution in solder-class materials. The grain growth model simulated many of the microstructural features observed experimentally in 63Sn-37Pb, a popular near-eutectic solder alloy. The model was validated by comparing simulation results to new experimental data on coarsening of Sn-Pb solder. The computational and experimental grain growth exponent for two-phase solder was found to be much lower than that for normal, single phase grain growth. The grain size distributions of solders obtained from simulations were narrower than that of normal grain growth. It was found that the phase composition of solder is important in determining grain growth behavior.

The stress-relief cracking susceptibility of single-pass welds in a new ferritic steel, HCM2S, has been evaluated and compared to 2.25Cr-1Mo steel using Gleeble techniques. Simulated coarse-grained heat-affected zones (CGHAZ) were produced under a range of energy inputs and tested at various post-weld heat treatment (PWHT) temperatures. Both alloys were tested at a stress of 325 MPa. The 2.25 Cr-1Mo steel was also tested at 270 MPa to normalize for the difference in yield strength between the two materials. Light optical and scanning electron microscopy were used to characterize the CGHAZ microstructure. The ''as-welded'' CGHAZ of each alloy consisted of lath martensite or bainite and had approximately equal prior austenite grain sizes. The as-welded hardness of the 2.25Cr-1Mo steel CGHAZ was significantly higher than that of the HCM2S alloy. Over the range studied energy input had no effect on the as-welded microstructure or hardness of either alloy. The energy input also had no effect on the stress-relief cracking susceptibility of either material. Both alloys failed intergranularly along prior austenite grain boundaries under all test conditions. The 2.25Cr-1Mo steel samples experienced significant macroductility and some microductility when tested at 325 MPa. The ductility decreased significantly when tested at 270 MPa but was still higher that than of HCM2S at each test condition. The time to failure decreased with increasing PWHT Temperature for each material. There was no significant difference in the times to failure between the two materials. Varying energy input and stress had no effect on the time-to failure. The ductility, as measured by reduction in are% increased with increasing PWHT temperature for 2.25 Cr-1Mo steel tested at both stresses. However, PWHT temperature had no effect on the ductility of HCM2S. The hardness of the CGHAZ for 2.25Cr-1Mo steel decreased significantly after PWHT, but remained constant for HCM2S. The differences in stress-relief cracking response are discussed in terms of the differences in composition and expected carbide precipitation sequence for each alloy during PWHT.

A new two-dimensional photonic crystal (2D PC) slab structure was created with a full three-dimensional light confinement. Guided modes with broad bandwidth and high transmission within the band gap are also observed. As an optical analog to electronic crystals, PC promises a revolution in the photonic world similar to the electronic revolution created by the electronic band gap engineering in semiconductor. 2D PC has an advantage of being easier to fabricate at optical wavelength ({lambda}) comparing with 3D PC. However, the light leakage in the vertical direction has been the main problem for using 2D PC in opto-electronic application. In this study, the authors solve this problem by combining traditional 2D PC with strong vertical index guiding between the waveguide layer (GaAs) and the cladding layer (Al{sub x}O{sub y}). A set of triangular lattice holes 2D PC's were fabricated with lattice constant a=460nm, hole diameter (d=0.6a) and waveguide layer thickness (t = 0.5a). Those parameters were chosen to maximize the TE photonic band gap (PBG) around {lambda} = 1.55{micro}m. The depth of etched holes is {approximately}0.6{micro}m and the 2{micro}m thick Al{sub x}O{sub y} cladding layer is obtained by thermal oxidation of Al{sub 0.9}Ga{sub 0.1}As. PC waveguides were also created by introducing line defects along {Gamma}K direction. The authors perform transmission measurement by coupling light to PC with 3{micro}m wide waveguides which extends {approximately}0.6mm on both sides of PC. An aspheric lens with NA = 0.4 is used to focus the collimated light from tunable diode laser into the input waveguide. Another identical lens is used to collect the transmitted light and focus to an infrared (IR) camera and a calibrated photo-detector with a beamsplitter. The Gaussian waveguide mode indicates that the signal detected by the photodetector comes only from the light interacting with PC and propagating along the waveguide. The absolute transmittance is obtained by normalizing the transmission with a reference measured with a nominally identical waveguide without PC.

Solute redistribution and microstructural evolution have been modeled for gas tungsten arc fusion welds in experimental Ni base superalloys. The multi-component alloys were modeled as a pseudo-ternary {gamma}-Nb-C system. The variation in fraction liquid and liquid composition during the primary L {r{underscore}arrow} {gamma} and eutectic type L {r{underscore}arrow} ({gamma} + NbC) stages of solidification were calculated for conditions of negligible Nb diffusion and infinitely rapid C diffusion in the solid phase. Input parameters were estimated by using the Thermo-Calc NiFe Alloy data base and compared to experimentally determined solidification parameters. The solidification model results provide useful information for qualitatively interpreting the influence of alloy composition on weld microstructure. The quantitative comparisons indicate that, for the alloy system evaluated, the thermodynamic database provides sufficiently accurate values for the distribution coefficients of Nb and C. The calculated position of the {gamma}-NbC two-fold saturation line produces inaccurate results when used as inputs for the model, indicating further refinement to the database is needed for quantitative estimates.

Sandia National Laboratories (SNL) designs mechanical systems with components that must survive high frequency shock environments including pyrotechnic shock. These environments have not been simulated very well in the past at the payload system level because of weight limitations of traditional pyroshock mechanical simulations using resonant beams and plates. A new concept utilizing tuned resonators attached to the payload system and driven with the impact of an airgun projectile allow these simulations to be performed in the laboratory with high precision and repeatability without the use of explosives. A tuned resonator has been designed and constructed for a particular payload system. Comparison of laboratory responses with measurements made at the component locations during actual pyrotechnic events show excellent agreement for a bandwidth of DC to 4 kHz. The bases of comparison are shock spectra. This simple concept applies the mechanical pyroshock simulation simultaneously to all components with the correct boundary conditions in the payload system and is a considerable improvement over previous experimental techniques and simulations.

Recent improvements in z-pinch wire array load design at Sandia National Laboratories have led to a substantial increase in pinch performance as measured by radiated powers of up to 280 TW in 4 ns and 1.8 MJ of total radiated energy. Next generation, higher current machines will allow for larger mass arrays and comparable or higher velocity implosions to be reached, possibly extending these result.dis the current is pushed above 20 MA, conventional machine design based on a 100 ns implosion time results in higher voltages, hence higher cost and power flow risk. Another approach, which shifts the risk to the load configuration, is to increase the implosion time to minimize the voltage. This approach is being investigated in a series of experimental campaigns on the Saturn and Z machines. In this paper, both experimental and two dimensional computational modeling of the fist long implosion Z experiments will be presented. The experimental data shows broader pulses, lower powers, and larger pinch diameters compared to the corresponding short pulse data. By employing a nested array configuration, the pinch diameter was reduced by 50% with a corresponding increase in power of > 30%. Numerical simulations suggest load velocity is the dominating mechanism behind these results.

Microstructure-level residual stresses arise in polycrystalline ceramics during processing as a result of thermal expansion anisotropy and crystallographic disorientation across the grain boundaries. Depending upon the grain size, the magnitude of these stresses can be sufficiently high to cause spontaneous microcracking during the processing of these materials. They are also likely to affect where cracks initiate and propagate under macroscopic loading. The magnitudes of residual stresses in untextured and textured alumina samples were predicted using object oriented finite (OOF) element analysis and experimentally determined grain orientations. The crystallographic orientations were obtained by electron-backscattered diffraction (EBSD). The residual stresses were lower and the stress distributions were narrower in the textured samples compared to those in the untextured samples. Crack initiation and propagation were also simulated using the Griffith fracture criterion. The grain boundary to surface energy ratios required for computations were estimated using AFM groove measurements.

Selectively oxidized vertical cavity surface emitting lasers (VCSELS) have been studied by spectrally resolved near field scanning optical microscopy (NSOM). We have obtained spatially and spectrally resolved images of both subthreshold emission and lasing emission from a selectively oxidized VCSEL operating at a wavelength of 850 nm. Below threshold, highly local high gain regions, emitting local intensity maxima within the active area, were observed; these were found to serve as lasing centers just above threshold. Above threshold, the near field spatial modal distributions of low order transverse modes were identified by spectrally analyzing the emission; these were found to be complex and significantly different from those measured in the far field.

Finite difference methods for solving the wave equation more accurately capture the physics of waves propagating through the earth than asymptotic solution methods. Unfortunately. finite difference simulations for 3D elastic wave propagation are expensive. We model waves in a 3D isotropic elastic earth. The wave equation solution consists of three velocity components and six stresses. The partial derivatives are discretized using 2nd-order in time and 4th-order in space staggered finite difference operators. Staggered schemes allow one to obtain additional accuracy (via centered finite differences) without requiring additional storage. The serial code is most unique in its ability to model a number of different types of seismic sources. The parallel implementation uses the MP1 library, thus allowing for portability between platforms. Spatial parallelism provides a highly efficient strategy for parallelizing finite difference simulations. In this implementation, one can decompose the global problem domain into one-, two-, and three-dimensional processor decompositions with 3D decompositions generally producing the best parallel speed up. Because i/o is handled largely outside of the time-step loop (the most expensive part of the simulation) we have opted for straight-forward broadcast and reduce operations to handle i/o. The majority of the communication in the code consists of passing subdomain face information to neighboring processors for use as ''ghost cells''. When this communication is balanced against computation by allocating subdomains of reasonable size, we observe excellent scaled speed up. Allocating subdomains of size 25 x 25 x 25 on each node, we achieve efficiencies of 94% on 128 processors. Numerical examples for both a layered earth model and a homogeneous medium with a high-velocity blocky inclusion illustrate the accuracy of the parallel code.

Evaporation is a classical physics problem which, because of its significant importance for many engineering applications, has drawn considerable attention by previous researchers. Classical theoretical models [Ta. I. Frenkel, Kinetic Theory of Liquids, Clarendon Press, Oxford, 1946] represent evaporation in a simplistic way as the escape of atoms with highest velocities from a potential well with the depth determined by the atomic binding energy. The processes taking place in the gas phase above the rapidly evaporating surface have also been studied in great detail [S.I.Anisimov and V. A. Khokhlov, Instabilities in Lasser-Matter Interaction, CRC Press, Boca Raton, 1995]. The description of evaporation utilizing these models is known to adequately characterize drilling with high beam intensity, e.g., >10{sup 7} W/cm{sup 2}. However, the interaction regimes when beam intensity is relatively low, such as during welding or cutting, lack both theoretical and experimental consideration of the evaporation. It was shown recently that if the evaporation is treated in accordance with Anisimov et.al.'s approach, then predicted evaporation recoil should be a substantial factor influencing melt flow and related heat transfer during laser beam welding and cutting. To verify the applicability of this model for low beam intensity interaction, the authors compared the results of measurements and calculations of recoil pressure generated during laser beam irradiation of a target. The target material used was water ice at {minus}10 C. The displacement of a target supported in a nearly frictionless air bearing under irradiation by a defocused laser beam from a 14 kW CO{sub 2} laser was recorded and Newton's laws of motion used to derive the recoil pressure.

Silicon (Si) has a strength to density ratio of 3.0({sigma}{sub y}/{delta}=(6.8GPa/2.3g/cc)), an order-of-magnitude higher than titanium, aluminum, or stainless steel. Silicon also demonstrates favorable thermal, optical, and electrical properties making it ideal for use as a structural foundation for autonomous, mesoscopic systems such as nanosatellites. Using Si substrates, a structure that can simultaneously act as a thermal management system, a radiation shield, an optical material, a package, and a semiconductor substrate can be realized.

Abstract not provided.

To date most validation techniques are highly biased towards calculations involving symbolic representations of problems. These calculations are either formal (in the case of consistency and completeness checks), or informal in the case of code inspections. The authors believe that an essential type of evidence of the correctness of the formalization process must be provided by (i.e., must originate from) human-based calculation. They further believe that human calculation can by significantly amplified by shifting from symbolic representations to graphical representations. This paper describes their preliminary efforts in realizing such a representational shift.

The purpose of this paper is to demonstrate how transformation can be used to derive a high integrity implementation of a train controller from an algorithmic specification. The paper begins with a general discussion of high consequence systems (e.g., software systems) and describes how rewrite-based transformation systems can be used in the development of such systems. The authors then discuss how such transformations can be used to derive a high assurance controller for the Bay Area Rapid Transit (BART) system from an algorithmic specification.

A key step in the construction of high consequence software is its specification in a formal framework. In order to minimize the difficulty and potential for error, a specification should be expressed in a domain language supporting operators and structures that are intrinsic to the class of algorithms one wishes to specify. In this paper the authors describe a language that is suitable for the algorithmic specification of software controllers for a class of reactive systems of which the Bay Area Rapid Transit (BART) system is an instance. The authors then specify an abstract controller for a subset of BART using this language.

The authors have investigated LiNi{sub 0.8}Co{sub 0.2}O{sub 2} (Sumitomo) and LiNi{sub 5/8}Co{sub 1/4}Mn{sub 1/16}Al{sub 1/16}O{sub 2} (Sandia chemical preparation method) cathode powders via in-situ X-ray Diffraction and Cyclic Voltammetry using a coffee-bag type electrochemical cell. Both cathode materials did not show a monoclinic distortion during de-intercalation but sustained the hexagonal structure up to 4.3 V. The doping of Co into the LiNiO{sub 2} structure appears to stabilize this lattice as the hexagonal structure over the full range of charging (up to 4.3 V). The LiNi{sub 5/8}Co{sub 1/4}Mn{sub 1/16}Al{sub 1/16}O{sub 2} cathode material exhibited a 160 mAh/g capacity (to 4.1 V) on its 1{sup st} cycle, while displaying a much smaller volume change (as compared to LiNi{sub 0.8}Co{sub 0.2}O{sub 2}) during de-intercalation. This reduced overall volume change (2.5 vol%) may have important implications for cycle life of this material.

Filamentation, and consequently output beam quality in InGaN quantum-well lasers are found to be strong functions of quantum-well width because of the interplay of quantum-confined Stark effect and many-body interactions. For an In{sub 0.2}Ga{sub 0.8}N/GaN gain medium the antiguiding factor in a thick 4nm quantum well is considerably smaller than that for a narrow 2nm one. As a result, lasers with the thicker quantum well maintain fundamental-mode operation with wider stripe widths and at significantly higher excitation levels.

High resolution measurements of spectrally resolved cathodoluminescence (CL) decay have been made in several commercial and experimental phosphors doped with Eu and Tb at beam energies ranging from 0.8 to 4 keV. CL emission from the lowest two excited states of both rare earth activators was compared to the decay of photoluminescence (PL) after pulsed laser excitation. We find that, at long times after the cessation of electron excitation, the CL decay rates are comparable to those measured in PL, at short times, the decay process is considerably faster and has a noticeable dependence on the energy of the electron beam. These beam energy effects are largest for the higher excited states and for phosphors with larger activator concentrations. Measurements of the experimental phosphors over a range of activator fractions from 0.1 to 0.002 show that the beam energy dependence of the steady-state CL efficiency is larger for higher excited states and weakens as the activator concentration is reduced. The latter effect is strongest for Y{sub 2}SiO{sub 5}:Tb, but also quite evident in Y{sub 2}O{sub 3}:Eu. We suggest that the electron beam dependence of both the decay lifetimes and the steady state CL efficiency may be due to interaction of nearby excited states which occurs as a result of the large energy deposition rate for low energy electrons. This picture-for non-radiative quenching of rare earth emission is an excited state analog of the well-known (ground state-excited state) concentration quenching mechanism.