Publications

The decomposition of unconfined rigid polyurethane foam has been modeled by a kinetic bond-breaking scheme describing degradation of a primary polymer and formation of a thermally stable secondary polymer. The bond-breaking scheme is resolved using percolation theory to describe evolving polymer fragments. The polymer fragments vaporize according to individual vapor pressures. Kinetic parameters for the model were obtained from Thermal Gravimetric Analysis (TGA). The chemical structure of the foam was determined from the preparation techniques and ingredients used to synthesize the foam. Scale-up effects were investigated by simulating the response of an incident heat flux of 25 W/cm{sup 2} on a partially confined 8.8-cm diameter by 15-cm long right circular cylinder of foam which contained an encapsulated component. Predictions of center, midradial, and component temperatures, as well as regression of the foam surface, were in agreement with measurements using thermocouples and X-ray imaging.

Experience has shown that the analyses of marine transport of spent fuel in the Environmental Impact Statement (EIS) were conservative. It is anticipated that for most shipments. The external dose rate for the loaded transportation cask will be more in line with recent shipments. At the radiation levels associated with these shipments, we would not expect any personnel to exceed radiation exposure limits for the public. Package dose rates usually well below the regulatory limits and personnel work practices following ALARA principles are keeping human exposures to minimal levels. However, the potential for Mure shipments with external dose rates closer to the exclusive-use regulatory limit suggests that DOE should continue to provide a means to assure that individual crew members do not receive doses in excess of the public dose limits. As a minimum, the program will monitor cask dose rates and continue to implement administrative procedures that will maintain records of the dose rates associated with each shipment, the vessel used, and the crew list for the vessel. DOE will continue to include a clause in the contract for shipment of the foreign research reactor spent nuclear fuel requiring that the Mitigation Action Plan be followed.

As model validation techniques gain more acceptance and increase in power, the demands on the modal parameter extractions increase. The estimation accuracy, the number of modes desired, and the data reduction efficiency are required features. An algorithm known as SMAC (Synthesize Modes And Correlate), based on principles of modal filtering, has been in development for a few years. SMAC has now been extended in two main areas. First, it has now been automated. Second, it has been extended to fit complex modes as well as real modes. These extensions have enhanced the power of modal extraction so that, typically, the analyst needs to manually fit only 10 percent of the modes in the desired bandwidth, whereas the automated routines will fit 90 percent of the modes. SMAC could be successfully automated because it generally does not produce computational roots.

Direct metal deposition technologies produce complex, near net shape components from Computer Aided Design (CAD) solid models. Most of these techniques fabricate a component by melting powder in a laser weld pool, rastering the weld bead to form a layer, and additively constructing subsequent layers. This report will describe anew direct metal deposition process, known as WireFeed, whereby a small diameter wire is used instead of powder as the feed material to fabricate components. Currently, parts are being fabricated from stainless steel alloys. Microscopy studies show the WireFeed parts to be filly dense with fine microstructural features. Mechanical tests show stainless steel parts to have high strength values with retained ductility. A model was developed to simulate the microstructural evolution and coarsening during the WireFeed process. Simulations demonstrate the importance of knowing the temperature distribution during fabrication of a WireFeed part. The temperature distribution influences microstructural evolution and, therefore, must be controlled to tailor the microstructure for optimal performance.

Development of bug-free, high-surety, complex software is quite difficult using current tools. The brittle nature of the programming constructs in popular languages such as C/C++ is one root cause. Brittle commands force the designer to rigidly specify the minutiae of tasks, e.g. using ''for(index=0;index>total;index++)'', rather than specifying the goals or intent of the tasks, e.g. ''ensure that all relevant data elements have been examined''. Specification of task minutiae makes code hard to comprehend, which in turn encourages design errors/limitations and makes future modifications quite difficult. This report describes an LDRD project to seed the development of a surety computer language, for stand-alone computing environments, to be implemented using the swarm intelligence of autonomous agents. The long term vision of this project was to develop a language with the following surety capabilities: (1) Reliability -- Autonomous agents can appropriate y decide when to act and when a task is complete, provide a natural means for avoiding brittle task specifications, and can overcome many hardware glitches. (2) Safety, security -- Watchdog safety and security agents can monitor other agents to prevent unauthorized or dangerous actions. (3) An immune system -- The small chunks of agent code can have an encryption scheme to enable detection and elimination of unauthorized and corrupted agents. This report describes the progress achieved during this small 9 month project and describes lessons learned.

Current supercomputers use large parallel arrays of tightly coupled processors to achieve levels of performance far surpassing conventional vector supercomputers. Shock-wave physics codes have been developed for these new supercomputers at Sandia National Laboratories and elsewhere. These parallel codes run fast enough on many simulations to consider using them to study the effects of varying design parameters on the performance of models of conventional munitions and other complex systems. Such studies maybe directed by optimization software to improve the performance of the modeled system. Using a shaped-charge jet design as an archetypal test case and the CTH parallel shock-wave physics code controlled by the Dakota optimization software, we explored the use of automatic optimization tools to optimize the design for conventional munitions. We used a scheme in which a lower resolution computational mesh was used to identify candidate optimal solutions and then these were verified using a higher resolution mesh. We identified three optimal solutions for the model and a region of the design domain where the jet tip speed is nearly optimal, indicating the possibility of a robust design. Based on this study we identified some of the difficulties in using high-fidelity models with optimization software to develop improved designs. These include developing robust algorithms for the objective function and constraints and mitigating the effects of numerical noise in them. We conclude that optimization software running high-fidelity models of physical systems using parallel shock wave physics codes to find improved designs can be a valuable tool for designers. While current state of algorithm and software development does not permit routine, ''black box'' optimization of designs, the effort involved in using the existing tools may well be worth the improvement achieved in designs.

This report documents the use of the FITS routine, which provides automated fits of various analytical, commonly used probability models from input data. It is intended to complement the previously distributed FITTING routine documented in RMS Report 14 (Winterstein et al., 1994), which implements relatively complex four-moment distribution models whose parameters are fit with numerical optimization routines. Although these four-moment fits can be quite useful and faithful to the observed data, their complexity can make them difficult to automate within standard fitting algorithms. In contrast, FITS provides more robust (lower moment) fits of simpler, more conventional distribution forms. For each database of interest, the routine estimates the distribution of annual maximum response based on the data values and the duration, T, over which they were recorded. To focus on the upper tails of interest, the user can also supply an arbitrary lower-bound threshold, {chi}{sub low}, above which a shifted distribution model--exponential or Weibull--is fit.

Path integral Monte Carlo simulations and calculations were performed on molecular hydrogen liquids. The equation-of-state, internal energies, and vapor liquid phase diagrams from simulation were found to be in quantitative agreement with experiments. Analytical calculations were performed on,H2 liquids using integral equation methods to study the degree of localization of the hydrogen molecules. Very little self-trapping or localization was found as a function of temperature and density. Good qualitative agreement was found between the integral equation calculations and the quantum Monte Carlo simulations for the radius of gyration of the hydrogen molecules. Path integral simulations were also performed on molecular hydrogen on graphite surfaces, slit pores, and in carbon nanotubes. Significant quantum effects on the adsorption of hydrogen were observed.

Thermionic energy conversion in a microminiature format shows potential as a viable, high efficiency, on-chip power source. Microminiature thermionic converters (MTC) with inter-electrode spacings on the order of microns are currently being prototyped and evaluated at Sandia. The remaining enabling technology is the development of low work function materials and processes than can be integrated into these converters. In this report, the authors demonstrate a method of incorporating thin film emitters into converters using rf sputtering. They find that the resultant films possess a minimum work function of 1.2 eV. Practical energy conversion is hindered by surface work function non-uniformity. They postulate the source of this heterogeneity to be a result of limited bulk and surface transport of barium. Several methods are proposed for maximizing transport, including increased film porosity and the use of metal terminating layers. They demonstrate a novel method for incorporating film porosity based on metal interlayer coalescence.

Abstract not provided.

Monolithic, integrated acoustic wave chemical microsensors are being developed on gallium arsenide (GaAs) substrates. With this approach, arrays of microsensors and the high frequency electronic components needed to operate them reside on a single substrate, increasing the range of detectable analytes, reducing overall system size, minimizing systematic errors, and simplifying assembly and packaging. GaAs is employed because it is both piezoelectric, a property required to produce the acoustic wave devices, and a semiconductor with a mature microelectronics fabrication technology. Many aspects of integrated GaAs chemical sensors have been investigated, including: surface acoustic wave (SAW) sensors; monolithic SAW delay line oscillators; GaAs application specific integrated circuits (ASIC) for sensor operation; a hybrid sensor array utilizing these ASICS; and the fully monolithic, integrated SAW array. Details of the design, fabrication, and performance of these devices are discussed. In addition, the ability to produce heteroepitaxial layers of GaAs and aluminum gallium arsenide (AlGaAs) makes possible micromachined membrane sensors with improved sensitivity compared to conventional SAW sensors. Micromachining techniques for fabricating flexural plate wave (FPW) and thickness shear mode (TSM) microsensors on thin GaAs membranes are presented and GaAs FPW delay line and TSM resonator performance is described.

Inductive energy storage systems can have high energy density, lending to smaller, less expensive systems. The crucial element of an inductive energy storage system is the opening switch. This switch must conduct current while energy is stored in an inductor, then open quickly to transfer this energy to a load. Plasma can perform this function. The Plasma Opening Switch (POS) has been studied for more than two decades. Success with the conventional plasma opening switch has been limited. A system designed to significantly improve the performance of vacuum opening switches is described in this paper. The gap cleared of plasma is a rough figure-of-merit for vacuum opening switches. Typical opened gaps of 3 mm are reported for conventional switches. The goal for the system described in this paper is more than 3 cm. To achieve this, the command-triggered POS adds an active opening mechanism, which allows complete separation of conduction and opening. This separation is advantageous because of the widely different time scales of conduction and opening. The detrimental process of magnetic field penetration into the plasma during conduction is less important in this switch. The opening mechanism duration is much shorter than the conduction time, so penetration during opening is insignificant. Opening is accomplished with a fast magnetic field that pushes plasma out of the switch region. Plasma must be removed from the switch region to allow high voltage. This paper describes some processes important during conduction and opening, and show calculations on the trigger requirements. The design of the switch is shown. This system is designed to demonstrate both improved performance and nanosecond output jitter at levels greater than one terawatt. An amplification mechanism is described which reduces the trigger energy. Particle-in-cell simulations of the system are also shown.

Simple tangent, hard site chains near a hard wall are modeled with a Density Functional (DF) theory that uses the direct correlation function, c(r), as its ''input''. Two aspects of this DF theory are focused upon: (1) the consequences of variations in c(r)'s detailed form; and (2) the correct way to introduce c(r) into the DF formalism. The most important aspect of c(r) is found to be its integrated value, {cflx c}(0). Indeed, it appears that, for fixed {cflx c}(0), all reasonable guesses of the detailed shape of c(r) result in surprisingly similar density distributions, {rho}(r). Of course, the more accurate the c(r), the better the {rho}(r). As long as the length scale introduced by c(r) is roughly the hard site diameter and as long as the solution remains liquid-like, the {rho}(r) is found to be in good agreement with simulation results. The c(r) is used in DF theory to calculate the medium-induced-potential, U{sub M}(r) from the density distribution, {rho}(r). The form of U{sub M}(r) can be chosen to be one of a number of different forms. It is found that the forms for U{sub M}(r), which yield the most accurate results for the wall problem, are also those which were suggested as accurate in previous, related studies.

Solid freeform fabrication is the near-net-shape manufacturing of components by sequentially stacking thin layers of material until complicated three dimensional shapes are produced. The operation is computer controlled and requires no molds. This exciting new field of technology provides engineers with the ability to rapidly produce prototype parts directly from CAD drawings and oftentimes little or no machining is necessary after fabrication. Techniques for freeform fabrication with several types of plastics and metals are already quite advanced and maybe reviewed in references 1 and 2. Very complicated plastic models can be fabricated by stereolithography, selective laser sintering, fused deposition modeling, or three-dimensional ink jet printing. Metals may be freeformed by the LENS{trademark} technique and porous ceramic bodies by three dimensional printing into a porous powder bed. However, methods for freeform fabrication that utilize particulate slurries to build dense ceramics and composites are not as well developed. The techniques that are being developed for the freeform fabrication of dense structural ceramics primarily revolve around the sequential layering of ceramic loaded polymers or waxes. Laminated Object Manufacturing and CAM-LEM processing use controlled stacking and laser cutting of ceramic tapes [2,3]. Similar to fused deposition modeling, ceramic loaded polymer/wax filaments are being used for the fused deposition of ceramics [2,4]. Extrusion freeform fabrication uses high pressure extrusion to deposit layers of ceramic loaded polymer/wax systems[1]. Modified stereolithographic techniques are also being developed using ceramic loaded ultraviolet curable resins [2]. Pre-sintered parts made with any of these techniques typically have 40-55 vol.% polymeric binder. In this regard, these techniques are analogous to powder injection molding of ceramics. Very long and complicated burnout heat treatments are necessary to produce a dense ceramic, free of organics. Heating rates of 0.2 degrees Celsius per minute are common. [5] Thus, while a part maybe rapidly prototype within a few hours, it takes several days to densify. In contrast, robocasting is a freeform fabrication technique developed at Sandia National Labs that utilizes particulate slurries but does not require organic binders. Since binder burnout is not an issue, a dense ceramic part maybe freeformed, dried, and sintered in less than 24 hours. In some regards, robocasting is analogous to the ceramic near-net-shape processing techniques, slip casting and gel casting [6]; however, robocasting is moldless and fabrication times can be quicker.

Device penetration into media such as metal and soil is an application of some engineering interest. Often, these devices contain internal components and it is of paramount importance that all significant components survive the severe environment that accompanies the penetration event. In addition, the system must be robust to perturbations in its operating environment, some of which exhibit behavior which can only be quantified to within some level of uncertainty. In the analysis discussed herein, methods to address the reliability of internal components for a specific application system are discussed. The shock response spectrum (SRS) is utilized in conjunction with the Advanced Mean Value (AMV) and Response Surface methods to make probabilistic statements regarding the predicted reliability of internal components. Monte Carlo simulation methods are also explored.

Previous applications of DF theory required a single chain Monte Carlo simulation to be performed within a self-consistent loop. In the current work, a methodology is developed which permits the simulation to be taken out of the iterative loop. Consequently, the calculation of the self-consistent, medium-induced-potential, or field, is decoupled from the simulation. This approach permits different densities, different forms of U{sub M}(r), and different wall-polymer interactions to be investigated from a single Monte Carlo simulation. The increase in computational efficiency is immense.

In the world of computers a trusted object is a collection of possibly-sensitive data and programs that can be allowed to reside and execute on a computer, even on an adversary's machine. Beyond the scope of one computer we believe that network-based agents in high-consequence and highly reliable applications will depend on this approach, and that the basis for such objects is what we call ''faithful execution.''

Minimum-time trajectory tracking of an under-actuated mechanical system called the Acrobot is presented. The success of the controller is demonstrated by the fact that the tracking error is reduced by more than an order of magnitude when compared to the open-loop system response. The control law is obtained by linearizing the system about the nominal trajectory and applying differential dynamic programming to the resulting linear time-varying system, while using a weighted sum of the state-deviation and input-deviation as the cost function.

A study to characterize the low-temperature reactive processes for o-AP and an AP/HTPB-based propellant (class 1.3) is being conducted in the laboratory using the techniques of simultaneous thermogravimetric modulated beam mass spectrometry (STMBMS) and scanning electron microscopy (SEM). The results presented in this paper are a follow up of the previous work that showed the overall decomposition to be complex and controlled by both physical and chemical processes. The decomposition is characterized by the occurrence of one major event that consumes up to {approx}35% of the AP, depending upon particle size, and leaves behind a porous agglomerate of AP. The major gaseous products released during this event include H{sub 2}O, O{sub 2}, Cl{sub 2}, N{sub 2}O and HCl. The recent efforts provide further insight into the decomposition processes for o-AP. The temporal behaviors of the gas formation rates (GFRs) for the products indicate that the major decomposition event consists of three chemical channels. The first and third channels are affected by the pressure in the reaction cell and occur at the surface or in the gas phase above the surface of the AP particles. The second channel is not affected by pressure and accounts for the solid-phase reactions characteristic of o-AP. The third channel involves the interactions of the decomposition products with the surface of the AP. SEM images of partially decomposed o-AP provide insight to how the morphology changes as the decomposition progresses. A conceptual model has been developed, based upon the STMBMS and SEM results, that provides a basic description of the processes. The thermal decomposition characteristics of the propellant are evaluated from the identities of the products and the temporal behaviors of their GFRs. First, the volatile components in the propellant evolve from the propellant as it is heated. Second, the hot AP (and HClO{sub 4}) at the AP-binder interface oxidize the binder through reactions that preferentially strip the hydrogen from the binder and yield HCl and H{sub 2}O with some oxidation of the carbon from the binder. Third, the o-AP in the propellant decomposes in the same manner as in neat o-AP. Finally, AP-derived gaseous products interact with other ingredients in the propellant.

A set of linear and nonlinear stability analysis tools have been developed to analyze steady state incompressible flows in 3D geometries. The algorithms have been implemented to be scalable to hundreds of parallel processors. The linear stability of steady state flows are determined by calculating the rightmost eigenvalues of the associated generalize eigenvalue problem. Nonlinear stability is studied by bifurcation analysis techniques. The boundaries between desirable and undesirable operating conditions are determined for buoyant flow in the rotating disk CVD reactor.

Mesa and planar GaN Schottky diode rectifiers with reverse breakdown voltages (V{sub RB}) up to 550V and >2000V, respectively, have been fabricated. The on-state resistance, R{sub ON}, was 6m{Omega}{center_dot} cm{sup 2} and 0.8{Omega}cm{sup 2}, respectively, producing figure-of-merit values for (V{sub RB}){sup 2}/R{sub ON} in the range 5-48 MW{center_dot}cm{sup -2}. At low biases the reverse leakage current was proportional to the size of the rectifying contact perimeter, while at high biases the current was proportional to the area of this contact. These results suggest that at low reverse biases, the leakage is dominated by the surface component, while at higher biases the bulk component dominates. On-state voltages were 3.5V for the 550V diodes and {ge}15 for the 2kV diodes. Reverse recovery times were <0.2{micro}sec for devices switched from a forward current density of {approx}500A{center_dot}cm{sup -2} to a reverse bias of 100V.

The topic of Privacy is complex, multi-faceted, and often emotionally laden. This paper will cover the following topics, in an effort to further understanding of federal regulations and activities, the balancing act that necessarily occurs in business, and what role a records manager can play. The topics are: Definitions; The Privacy Act; ''Private'' companies; Potential areas of concern; Expectations; Corporate responsibilities; Case studies; and Records Manager's role.

The non-linear stress-strain relation for crosslinked polymer networks is studied using molecular dynamics simulations. Previously we demonstrated the importance of trapped entanglements in determining the elastic and relaxational properties of networks. Here we present new results for the stress versus strain for both dry and swollen networks. Models which limit the fluctuations of the network strands like the tube model are shown to describe the stress for both elongation and compression. For swollen networks, the total modulus is found to decrease like (V{sub o}/V){sup 2/3} and goes to the phantom model result only for short strand networks.

Predicting the properties of nonequilibrium systems from molecular simulations is a growing area of interest. One important class of problems involves steady state diffusion. To study these cases, a grand canonical molecular dynamics approach has been developed by Heffelfinger and van Swol [J. Chem. Phys., 101, 5274 (1994)]. With this method, the flux of particles, the chemical potential gradients, and density gradients can all be measured in the simulation. In this paper, we present a complementary approach that couples a nonlocal density functional theory (DFT) with a transport equation describing steady-state flux of the particles. We compare transport-DFT predictions to GCMD results for a variety of ideal (color diffusion), and nonideal (uphill diffusion and convective transport) systems. In all cases excellent agreement between transport-DFT and GCMD calculations is obtained with diffusion coefficients that are invariant with respect to density and external fields.

Magnesium vanadates are potentially important catalytic materials for the conversion of alkanes to alkenes via oxidative dehydrogenation. However, little is known about the active sites at which the catalytic reactions take place. It may be possible to obtain a significant increase in the catalytic efficiency if the effects of certain material properties on the surface reactions could be quantified and optimized through the use of appropriate preparation techniques. Given that surface reactivity is often dependent upon surface structure and that the atomic level structure of the active sites in these catalysts is virtually unknown, we desire thin film samples consisting of a single magnesium vanadate phase and a well defined crystallographic orientation in order to reduce complexity and simplify the study of active sites. We report on the use of reactive RF sputter deposition to fabricate very highly oriented, stoichiometric Mg{sub 3}(VO{sub 4}){sub 2} thin films for use in these surface analysis studies. Deposition of samples onto amorphous substrates resulted in very poor crystallinity. However, deposition of Mg{sub 3}(VO{sub 4}){sub 2} onto well-oriented, lattice-matched thin film ''seed'' layers such as Ti(0001), Au(111), or Pt(111) resulted in very strong preferential (042) crystallographic orientation (pseudo-hexagonal oxygen planes parallel to the substrate). This strong preferential growth of the Mg{sub 3}VO{sub 4}{sub 2} suggests epitaxial (single-crystal) growth of this mixed metal oxide on the underlying metal seed layer. The effects of the seed layer material, deposition temperature, and post-deposition reactive treatments on thin film properties such as stoichiometry, crystallographic orientation, and chemical interactions will be discussed.

A range of pore diffusivities, D{sub p}, is implied by the high degree of pore-scale heterogeneity observed in core samples of the Culebra (dolomite) Member of the Rustler formation, NM. Earlier tracer tests in the culebra at the field-scale have confirmed significant heterogeneity in diffusion rate coefficients (the combination of D{sub p} and matrix block size). In this study, expressions for solute diffusion in the presence of multiple simultaneous matrix diffusivities are presented and used to model data from eight laboratory-scale diffusion experiments performed on five Culebra samples. A lognormal distribution of D{sub p} is assumed within each of the lab samples. The estimated standard deviation ({sigma}{sub d}) of In(D{sub p}) within each sample ranges from 0 to 1, with most values lying between 0.5 and 1. The variability over all samples leads to a combined {sigma}{sub d} in the range of 1.0 to 1.2, which appears to be consistent with a best-fit statistical distribution of formation factor measurements for similar Culebra samples. A comparison of the estimation results to other rock properties suggests that, at the lab-scale, the geometric mean of D{sub p} increases with bulk porosity and the quantity of macroscopic features such as vugs and fractures. However, {sigma}{sub d} appears to be determined by variability within such macroscopic features and/or by micropore-scale heterogeneity. In addition, comparison of these experiments to those at larger spatial scales suggests that increasing sample volume results in an increase in {sigma}{sub d}.

The processes of defining managerial roles and providing for delegation of authority are essential to any enterprise. At most large organizations, these processes are defined in policy manuals and through sets of standard operating procedures for many, if not all, business and administrative functions. Many of these staff-initiated, administrative functions require the routing of documents for approval to one or more levels of management. These employee-oriented, back office types of workflows tend to require more flexibility in determining to whom these documents should go to, while, at the same time, providing the responsible parties with the flexibility to delegate their approval authority or allow others to review their work. Although this practice is commonplace in manual, paper-based processes that exist in many organizations, it is difficult to provide the same flexibility in the more structured, electronic-based, workflow systems.

In 1979, six years after selecting the Delaware Basin as a potential disposal area, Congress authorized the U.S. Department of Energy to build the Waste Isolation Pilot Plant (WIPP) near Carlsbad, New Mexico, as a Research and development facility for the safe management storage, and disposal of waste contaminated with transuranic radioisotopes. In 1998, 19 years after authorization and after site selection, the U.S. Environmental Protection Agency (EPA) certified that the WIPP disposal system complied with its regulations. The EPA's decision was primarily based on the results from a performance. assessment conducted in 1996, which is summarized in this special issue of Reliability Engineering and System Safety. This performance assessment was the culmination of four preliminary performance assessments conducted between 1989 and 1992. This paper provides a historical setting and context for how the performance of the deep geologic repository at the WIPP was analyzed. Also included is background on political forces acting on the project.

Paul McWhorter, Deputy Director for of the Microsystems Center at Sandia National Laboratories, discusses the potential of surface micromachining. A vision of the possibilities of intelligent Microsystems for the future is presented along with descriptions of several possible applications. Applications that are just around the corner and some that maybe quite a ways down the road but have a clear development path to their realization. Microsystems will drive the next silicon revolution.

We are continuing to study the suitability of modified thermal-battery technology as a potential power source for geothermal borehole applications. Previous work focused on the LiSi/FeS{sub 2} couple over a temperature range of 350 C to 400 C with the LiBr-KBr-LiF eutectic, which melts at 324.5 C. In this work, the discharge processes that take place in LiSi/CsBr-LiBr-KBr eutectic/FeS{sub 2} thermal cells were studied at temperatures between 250 C and 400 C using pelletized cells with immobilized electrolyte. The CsBr-LiBr-KBr eutectic was selected because of its lower melting point (228.5 C). Incorporation of a quasi-reference electrode allowed the determination of the relative contribution of each electrode to the overall cell polarization. The results of single-cell tests and limited battery tests are presented, along with preliminary data for battery stacks tested in a simulated geothermal borehole environment.

The performance of Li-alloy/CsBr-LiBr-KBr/Ag{sub 2}CrO{sub 4} systems was studied over a temperature range of 250 C to 300 C, for possible use as a power source for geothermal borehole applications. Single cells were discharged at current densities of 15.8 and 32.6 mA/cm{sup 2} using Li-Si and Li-Al anodes. When tested in 5-cell batteries, the Li-Si/CsBr-LiBr-KBr/Ag{sub 2}CrO{sub 4} system exhibited thermal runaway. Thermal analytical tests showed that the Ag{sub 2}CrO{sub 4} cathode reacted exothermically with the electrolyte on activation. Consequently, this system would not be practical for the envisioned geothermal borehole applications.

The electronic transport properties of Cadmium Zinc Telluride (CZT) determine the charge collection efficiency (i.e. the signal quality) of CZT detectors. These properties vary on both macroscopic and microscopic scale and depend on the presence of impurities and defects introduced during the crystal growth. Ion Beam Induced Charge Collection (IBICC) is a proven method to measure the charge collection efficiency. Using an ion microbeam, the charge collection efficiency can be mapped with submicron resolution, and the map of electronic properties (such as drift length) can be calculated from the measurement. A more sophisticated version of IBICC, the Time Resolved IBICC (TRIBICC) allows them to determine the mobility and the life time of the charge carriers by recording and analyzing the transient waveform of the detector signal. Furthermore, lateral IBICC and TRIBICC can provide information how the charge collection efficiency depends on the depth where the charge carriers are generated. This allows one to deduce information on the distribution of the electric field and transport properties of the charge carriers along the detector axis. IBICC and TRIBICC were used at the Sandia microbeam facility to image electronic properties of several CZT detectors. From the lateral TRIBICC measurement the electron and hole drift length profiles were calculated.

A motion planning strategy was developed and implemented to generate motion control instructions from solid model data for controlling a robotically driven solid free-form fabrication process. The planning strategy was tested using a PUMA type robot arm integrated into a LENS{trademark} (Laser Engineered Net Shape) system. Previous systems relied on a series of x, y, and z stages, to provide a minimal coordinated motion control capability. This limited the complexity of geometries that could be constructed. With the coordinated motion provided by a robotic arm, the system can produce three dimensional parts by ''writing'' material onto any face of existing material. The motion planning strategy relied on solid model geometry evaluation and exploited robotic positioning flexibility to allow the construction of geometrically complex parts. The integration of the robotic manipulator into the LENS{trademark} system was tested by producing metal parts directly from CAD models.

The emerging field of haptics represents a fundamental change in human-computer interaction (HCI), and presents solutions to problems that are difficult or impossible to solve with a two-dimensional, mouse-based interface. To take advantage of the potential of haptics, however, innovative interaction techniques and programming environments are needed. This paper describes FGB (FLIGHT GHUI Builder), a programming tool that can be used to create an application specific graphical and haptic user interface (GHUI). FGB is itself a graphical and haptic user interface with which a programmer can intuitively create and manipulate components of a GHUI in real time in a graphical environment through the use of a haptic device. The programmer can create a GHUI without writing any programming code. After a user interface is created, FGB writes the appropriate programming code to a file, using the FLIGHT API, to recreate what the programmer created in the FGB interface. FGB saves programming time and increases productivity, because a programmer can see the end result as it is created, and FGB does much of the programming itself. Interestingly, as FGB was created, it was used to help build itself. The further FGB was in its development, the more easily and quickly it could be used to create additional functionality and improve its own design. As a finished product, FGB can be used to recreate itself in much less time than it originally required, and with much less programming. This paper describes FGB's GHUI components, the techniques used in the interface, how the output code is created, where programming additions and modifications should be placed, and how it can be compared to and integrated with existing API's such as MFC and Visual C++, OpenGL, and GHOST.

Engineered Cu-rich islands were fabricated on an Al thin film to investigate pit initiation mechanisms at noble particles. X-ray photoelectron spectroscopy confirms that the thin film Cu-rich islands interdiffuse with the underlying Al substrate to form Al{sub 2}Cu islands. The defect arrays exhibit open circuit potential fluctuations whose magnitude and frequency increase as defect spacing decreases for constant island size and cathode/anode ratio. Post-exposure examination by energy dispersive spectroscopy (EDS) shows that the Al beneath the Cu-rich island dissolves with a crevice geometry. Engineered Al islands fabricated under identical conditions do not induce crevice corrosion in the vicinity of the Al defects. These results suggest that the Al dissolution is driven by the galvanic coupling between the noble island and matrix, and/or by a local change in chemistry, rather than by the presence of a defective oxide in the vicinity of the island.

Simulation of viscous three-dimensional fluid flow typically involves a large number of unknowns. When free surfaces are included, the number of unknowns increases dramatically. Consequently, this class of problem is an obvious application of parallel high performance computing. We describe parallel computation of viscous, incompressible, free surface, Newtonian fluid flow problems that include dynamic contact fines. The Galerkin finite element method was used to discretize the fully-coupled governing conservation equations and a ''pseudo-solid'' mesh mapping approach was used to determine the shape of the free surface. In this approach, the finite element mesh is allowed to deform to satisfy quasi-static solid mechanics equations subject to geometric or kinematic constraints on the boundaries. As a result, nodal displacements must be included in the set of unknowns. Other issues discussed are the proper constraints appearing along the dynamic contact line in three dimensions. Issues affecting efficient parallel simulations include problem decomposition to equally distribute computational work among a SPMD computer and determination of robust, scalable preconditioners for the distributed matrix systems that must be solved. Solution continuation strategies important for serial simulations have an enhanced relevance in a parallel coquting environment due to the difficulty of solving large scale systems. Parallel computations will be demonstrated on an example taken from the coating flow industry: flow in the vicinity of a slot coater edge. This is a three dimensional free surface problem possessing a contact line that advances at the web speed in one region but transitions to static behavior in another region. As such, a significant fraction of the computational time is devoted to processing boundary data. Discussion focuses on parallel speed ups for fixed problem size, a class of problems of immediate practical importance.

We report progress of a continuing effort to characterize and simulate the response of energetic materials (EMs), primarily HMX-based, under conditions leading to cookoff. Our experiments include mechanical-effects testing of HMX and FIMX with binder at temperatures nearing decomposition thresholds. Additional experiments have focused on decomposition of these EMs under confinement, measuring evolution of gas products and observing the effect of pressurization on the solid. Real-time measurements on HMX show abrupt changes that maybe due to sudden void collapse under increasing load. Postmortem examination shows significant internal damage to the pellets, including voids and cracks. These experiments have been used to help develop a constitutive model for pure HMX. Unconfined uniaxial compression tests were performed on HMX and LX-14 to examine the effect of binders on the deviatoric strength of EM pellets, and to assess the need of including deviatoric terms in the model. A scale-up experiment will be described that is being developed to validate the model and provide additional diagnostics.

The HMX {beta}-{delta} solid-solid phase transition, which occurs as HMX is heated near 170 C, is clearly linked to increased reactivity and sensitivity to initiation. Thermally damaged energetic materials (EMs) containing HMX therefore may present a safety concern. Information about the phase transition is vital to a predictive safety model for HMX and HMX-containing EMs. We report work in progress on monitoring the phase transition with real-time Raman spectroscopy and ultrasonic measurements aimed towards a better understanding of physical properties through the phase transition. HMX samples were confined with minimal free volume.in a cell with constant volume. The cell was heated at a controlled rate and real-time Raman spectroscopic or ultrasonic measurements were performed. Raman spectroscopy provides a clear distinction between the two phases because the vibrational transitions of the molecule change with confirmational changes associated with the phase transition. Ultrasonic time-of-flight measurements provide an additional method of distinguishing the two phases because the sound speed through the material changes with the phase transition. Ultrasonic attenuation measurements also provide information about microstructural changes such as increased porosity due to evolution of gaseous decomposition products.

Polycrystalline diamond compact (PDC) bits have yet to be routinely applied to drilling the hard-rock formations characteristic of geothermal reservoirs. Most geothermal production wells are currently drilled with tungsten-carbide-insert roller-cone bits. PDC bits have significantly improved penetration rates and bit life beyond roller-cone bits in the oil and gas industry where soft to medium-hard rock types are encountered. If PDC bits could be used to double current penetration rates in hard rock geothermal well-drilling costs could be reduced by 15 percent or more. PDC bits exhibit reasonable life in hard-rock wear testing using the relatively rigid setups typical of laboratory testing. Unfortunately, field experience indicates otherwise. The prevailing mode of failure encountered by PDC bits returning from hard-rock formations in the field is catastrophic, presumably due to impact loading. These failures usually occur in advance of any appreciable wear that might dictate cutter replacement. Self-induced bit vibration, or ''chatter'', is one of the mechanisms that may be responsible for impact damage to PDC cutters in hard-rock drilling. Chatter is more severe in hard-rock formations since they induce significant dynamic loading on the cutter elements. Chatter is a phenomenon whereby the drillstring becomes dynamically unstable and excessive sustained vibrations occur. Unlike forced vibration, the force (i.e., weight on bit) that drives self-induced vibration is coupled with the response it produces. Many of the chatter principles derived in the machine tool industry are applicable to drilling. It is a simple matter to make changes to a machine tool to study the chatter phenomenon. This is not the case with drilling. Chatter occurs in field drilling due to the flexibility of the drillstring. Hence, laboratory setups must be made compliant to observe chatter.

Traditionally law enforcement agencies have relied on basic measurement and imaging tools, such as tape measures and cameras, in recording a crime scene. A disadvantage of these methods is that they are slow and cumbersome. The development of a portable system that can rapidly record a crime scene with current camera imaging, 3D geometric surface maps, and contribute quantitative measurements such as accurate relative positioning of crime scene objects, would be an asset to law enforcement agents in collecting and recording significant forensic data. The purpose of this project is to develop a feasible prototype of a fast, accurate, 3D measurement and imaging system that would support law enforcement agents to quickly document and accurately record a crime scene.

We have conducted a fretting research project using MIL-L-87177 and CLT: X-10 lubricants on Nano-miniature connectors. When they were fretted without lubricant, individual connectors first exceeded our 0.5 ohm failure criteria from 2,341 to 45,238 fretting cycles. With additional fretting, their contact resistance increased to more than 100,000 ohms. Unmodified MIL-L-87177 lubricant delayed the onset of first failure to between 430,000 and over 20,000,000 fretting cycles. MIL-L-87177 modified by addition of Teflon powder delayed first failure to beyond 5 million fretting cycles. Best results were obtained when Teflon was used and also when both the straight and modified lubricants were poured into and then out of the connector. CLT: X-10 lubricant delayed the onset of first failure to beyond 55 million cycles in one test where a failure was actually observed and to beyond 20 million cycles in another that was terminated without failure. CLT: X-10 recovered an unlubricated connector driven deeply into failure, with six failed pins recovering immediately and four more recovering during an additional 420 thousand fretting cycles. MIL-L-87177 was not able to recover a connector under similar conditions.

We report scanning capacitance microscopy (SCM) images of a working p-channel metal-oxide-semiconductor field-effect transistor (P-MOSFET) during device operation. Independent bias voltages were applied to the source/gate/drain/well regions of the MOSFET during SCM imaging, and the effect of these voltages on the SCM images is discussed. © 1999 American Institute of Physics.

Modern wind turbines are fatigue critical machines that are typically used to produce electrical power from the wind. The materials used to construct these machines are subjected to a unique loading spectrum that contains several orders of magnitude more cycles than other fatigue critical structures, e.g., an airplane. To facilitate fatigue designs, a large database of material properties has been generated over the past several years that is specialized to materials typically used in wind turbines. In this paper, I review these fatigue data. Major sections are devoted to the properties developed for wood, metals (primarily aluminum) and fiberglass. Special emphasis is placed on the fiberglass discussion because this material is current the material of choice for wind turbine blades. The paper focuses on the data developed in the U.S., but cites European references that provide important insights.

Parallel microscopic experimentation (the combinatorial approach often used in solid-state science) was applied to characterize atmospheric copper corrosion behavior. Specifically, this technique permitted relative sulfidation rates to be determined for copper containing different levels of point defects and impurities (In, Al, O, and D). Corrosion studies are inherently difficult because of complex interactions between material interfaces and the environment. The combinatorial approach was demonstrated using micron-scale Cu lines that were exposed to a humid air environment containing sub-ppm levels of H{sub 2}S. The relative rate of Cu{sub 2}S growth was determined by measuring the change in resistance of the line. The data suggest that vacancy trapping by In and Al impurities slow the sulfidation rate. Increased sulfidation rates were found for samples containing excess point defects or deuterium. Furthermore, the sulfidation rate of 14 {micro}m wide Cu lines was increased above that for planar films.

A methodology has been established to predict the effect of atmospheric corrosion on the reliability of plastic encapsulated microelectronic (PEM) devices. New experimental techniques were developed to directly characterize the Al/Au wirebond interface where corrosion primarily occurs. A deterministic empirical model describing wirebond degradation as a function of environmental conditions was generated. To demonstrate how this model can be used to determine corrosion effects on device reliability, a numerical simulation was performed on a three-lead voltage reference device. Surface reaction rate constants, environmental variables and the defect characteristics of the encapsulant were treated as distributed parameters. A Sandia-developed analytical framework (CRAX{trademark}) was used to include uncertainty in the analysis and directly calculate reliability.

A dependence of elastic response on the stress-state of a thin film has been demonstrated using the interfacial force microscope (IFM). Indentation response was measured as a function of the applied biaxial stress-state for 100 nm thick Au films. An increase in measured elastic modulus with applied compressive stress, and a decrease with applied tensile stress was observed. Measurements of elastic modulus before and after applying stress were identical indicating that the observed change in response is not due to a permanent change in film properties.

This report focuses Sandia National Laboratories' effort to create high-temperature logging tools for geothermal applications not requiring heat-shielding. Tool electronics can operate up to 300 C with a few limiting components operating to 250 C. Second generation electronics are needed to increase measurement accuracy and extend the operating range to 300 and then 350 C are identified. Custom development of high-temperature batteries and assembling techniques are touched on. Outcomes of this work are discussed and new directions for developing high-temperature industry are suggested.

A high-speed data link that would provide dramatically faster communication from downhole instruments to the surface and back again has the potential to revolutionize deep drilling for geothermal resources through Diagnostics-While-Drilling (DWD). Many aspects of the drilling process would significantly improve if downhole and surface data were acquired and processed in real-time at the surface, and used to guide the drilling operation. Such a closed-loop, driller-in-the-loop DWD system, would complete the loop between information and control, and greatly improve the performance of drilling systems. The main focus of this program is to demonstrate the value of real-time data for improving drilling. While high-rate transfer of down-hole data to the surface has been accomplished before, insufficient emphasis has been placed on utilization of the data to tune the drilling process to demonstrate the true merit of the concept. Consequently, there has been a lack of incentive on the part of industry to develop a simple, low-cost, effective high-speed data link. Demonstration of the benefits of DWD based on a high-speed data link will convince the drilling industry and stimulate the flow of private resources into the development of an economical high-speed data link for geothermal drilling applications. Such a downhole communication system would then make possible the development of surface data acquisition and expert systems that would greatly enhance drilling operations. Further, it would foster the development of downhole equipment that could be controlled from the surface to improve hole trajectory and drilling performance. Real-time data that would benefit drilling performance include: bit accelerations for use in controlling bit bounce and improving rock penetration rates and bit life; downhole fluid pressures for use in the management of drilling hydraulics and improved diagnosis of lost circulation and gas kicks; hole trajectory for use in reducing directional drilling costs; and downhole weight-on-bit and drilling torque for diagnosing drill bit performance. In general, any measurement that could shed light on the downhole environment would give us a better understanding of the drilling process and reduce drilling costs.

Using slim holes (diameter < 15 cm) for geothermal exploration and small-scale power production can produce significant cost savings compared to conventional rotary-drilling methods. In addition, data obtained from slim holes can be used to lower the risks and costs associated with the drilling and completion of large-diameter geothermal wells. As a prime contractor to the U.S. Department of Energy (DOE), Sandia National Laboratories has worked with industry since 1992 to develop and promote drilling, testing, and logging technology for slim holes. This paper describes the current status of work done both in-house and contracted to industry. It focuses on drilling technology, case histories of slimhole drilling projects, data collection and rig instrumentation, and high-temperature logging tools.

Coffinite (USiO{sub 4}) has been found in numerous sedimentary and hydrothermal environments including those considered as natural analogues of nuclear waste repositories. Scanning electron microscopy (SEM) and analytical electron microscopy (AEM) studies have been conducted on a uraninite sample from a U-deposit in Canada. It is observed that the uraninite (UO{sub 2+x}) is replaced by coffinite (U[SiO{sub 4}].nH{sub 2}O) and the replacing coffinite coexists with quartz. The TEM study shows {alpha}-recoil damage, lattice distortion, and low-angle boundaries among neighboring uraninite domains. Coffinitization seems more closely associated with {alpha}-recoil-damaged uraninite areas. Electron energy-loss spectroscopy (EELS) spectrum indicates that the ratio of U(+6)U(+4) in the uraninite is about 2/3, while the coffinite is dominated by U(+4). A thermodynamic calculation indicates that coffinitization can take place most likely at temperatures below 130 C if dissolved silica concentrations are limited by amorphous silica mineral phase. In a sufficiently high silica concentration environment, coffinite can form under the oxygen fugacity of 10{sup -65}-10{sup -55} atm. The equilibrium model, however, is not able to explain the coexistence of coffinite with quartz. A kinetic model that takes account of Ostwald processes is thus proposed. The kinetic model indicates that the presence of U(+6) in uraninite and the enhanced uraninite dissolution rate may be an important factor controlling uraninite coffinitization.

Red Teaming is an advanced form of assessment that can be used to identify weaknesses in a variety of cyber systems. it is especially beneficial when the target system is still in development when designers can readily affect improvements. This paper discusses the red team analysis process and the author's experiences applying this process to five selected Information Technology Office (ITO) projects. Some detail of the overall methodology, summary results from the five projects, and lessons learned are contained within this paper.

Z-pinches now constitute the most energetic and powerful sources of x-rays available by a large margin. The Z accelerator at Sandia National Laboratories has produced 1.8 MJ of x-ray energy, 280 TW of power, and hohlraum temperatures of 200 eV. These advances are being applied to inertial confinement fusion (ICF) experiments on Z. The requirements for high fusion yield are exemplified in the target to be driven by the X-1 accelerator. X-1 will drive two z-pinches, each producing 7 MJ of x-ray energy and about 1000 TW of x-ray power. Together, these radiation sources will heat a hohlraum containing the 4-mm diameter ICF capsule to a temperature exceeding 225 eV for about 10 ns, with the pulse shape required to drive the capsule to high fusion yield, in the range of 200--1000 MJ. Since X-1 consists of two identical accelerators, it is possible to mitigate the technical risk of high yield by constructing one accelerator. This accelerator, ZX, will bridge the gap from Z to X-1 by driving an integrated target experiment with a very efficient energy source, ZX will also provide experimental condition that the full specifications of the X-1 accelerator for high yield are achievable, and that a realistic path to high fission yield exists.

The pace of development and fielding of electric vehicles is briefly described and the principal advanced battery chemistries expected to be used in the EV application are identified as Ni/MH in the near term and Li-ion/Li-polymer in the intermediate to long term. The status of recycling process development is reviewed for each of the two chemistries and future research needs are discussed.

The stacking of second and third layers of supercrystals of self-assembled passivated gold nanoparticles has been investigated using transmission electron microscopy. We report for the first time nanoparticles occupying the twofold saddle site in the third layer.

The authors have directly measured the stress evolution during metal organic chemical vapor deposition of AlGaN/GaN heterostructures on sapphire. In situ stress measurements were correlated with ex situ microstructural analysis to directly determine a critical thickness for cracking and the subsequent relaxation kinetics of tensile-strained Al{sub x}Ga{sub 1{minus}x}N on GaN. Cracks appear to initiate the formation of misfit dislocations at the AlGaN/GaN interface, which account for the majority of the strain relaxation.

Experiments have been performed using a coaxial end-effecter 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.

Flammable deposits have been analyzed from the exhaust systems of tools employing dichlorosilane (DCS) as a processing gas. Exact mass determinations with a high-resolution Fourier-transform ion-cyclotron resonance (FT-ICR) mass spectrometer allowed the identification of various polysiloxane species present in such an exhaust flow. Ion-molecule reactions indicate the preferred reaction pathway of siloxane formation is through HCl loss, leading to the highly reactive polysiloxane that was detected in the flammable deposits.

This report documents the 1996 evaluation by Pacific Gas and Electric Company of an advanced reserve-power system capable of supporting 2 MW of load for 10 seconds. The system, developed under a DOE Cooperative Agreement with AC Battery Corporation of East Troy, Wisconsin, contains battery storage that enables industrial facilities to ''ride through'' momentary outages. The evaluation consisted of tests of system performance using a wide variety of load types and operating conditions. The tests, which included simulated utility outages and voltage sags, demonstrated that the system could provide continuous power during utility outages and other disturbances and that it was compatible with a variety of load types found at industrial customer sites.

Abstract not provided.

Representatives of the Department of Energy, the national laboratories, the Waste Isolation Pilot Plant (WIPP), and others gathered to initiate the development of broad-based concepts and strategies for transparency monitoring of nuclear materials at the back end of the fuel/weapons cycle, including both geologic disposal and monitored retrievable storage. The workshop focused on two key questions: ''Why should we monitor?'' and ''What should we monitor?'' These questions were addressed by identifying the range of potential stakeholders, concerns that stakeholders may have, and the information needed to address those concerns. The group constructed a strategic framework for repository transparency implementation, organized around the issues of safety (both operational and environmental), diversion (assuring legitimate use and security), and viability (both political and economic). Potential concerns of the international community were recognized as the possibility of material diversion, the multinational impacts of potential radionuclide releases, and public and political perceptions of unsafe repositories. The workshop participants also identified potential roles that the WIPP may play as a monitoring technology development and demonstration test-bed facility. Concepts for WIPP'S potential test-bed role include serving as (1) an international monitoring technology and development testing facility, (2) an international demonstration facility, and (3) an education and technology exchange center on repository transparency technologies.

A small effort was conducted at Sandia National Laboratories to explore the use of a number of modern analytic technologies in the assessment of terrorist actions and to predict trends. This work focuses on Bayesian networks as a means of capturing correlations between groups, tactics, and targets. The data that was used as a test of the methodology was obtained by using a special parsing algorithm written in JAVA to create records in a database from information articles captured electronically. As a vulnerability assessment technique the approach proved very useful. The technology also proved to be a valuable development medium because of the ability to integrate blocks of information into a deployed network rather than waiting to fully deploy only after all relevant information has been assembled.

The objective of the SIERRA framework is to provide a common software infrastructure for massively parallel computational mechanics applications. The SIERRA framework consolidates the mechanics-independent computational services required by a diverse set of mechanics applications into a shared framework. Consolidation of these computational services eliminates their redundant development and maintenance efforts and streamlines the coupling of independently developed computational mechanics capabilities into integrated multi-mechanics applications.

The objective of this research is to statistically characterize the aging of integrated circuit interconnects. This report supersedes the stress void aging characterization presented in SAND99-0975, ''Reliability Degradation Due to Stockpile Aging,'' by the same author. The physics of the stress voiding, before and after wafer processing have been recently characterized by F. G. Yost in SAND99-0601, ''Stress Voiding during Wafer Processing''. The current effort extends this research to account for uncertainties in grain size, storage temperature, void spacing and initial residual stress and their impact on interconnect failure after wafer processing. The sensitivity of the life estimates to these uncertainties is also investigated. Various methods for characterizing the probability of failure of a conductor line were investigated including: Latin hypercube sampling (LHS), quasi-Monte Carlo sampling (qMC), as well as various analytical methods such as the advanced mean value (Ah/IV) method. The comparison was aided by the use of the Cassandra uncertainty analysis library. It was found that the only viable uncertainty analysis methods were those based on either LHS or quasi-Monte Carlo sampling. Analytical methods such as AMV could not be applied due to the nature of the stress voiding problem. The qMC method was chosen since it provided smaller estimation error for a given number of samples. The preliminary results indicate that the reliability of integrated circuits due to stress voiding is very sensitive to the underlying uncertainties associated with grain size and void spacing. In particular, accurate characterization of IC reliability depends heavily on not only the frost and second moments of the uncertainty distribution, but more specifically the unique form of the underlying distribution.

This report provides a statistical description of the types and severities of tractor semi-trailer accidents involving at least one fatality. The data were developed for use in risk assessments of hazardous materials transportation. A previous study (SAND93-2580) reviewed the availability of accident data, identified the TIFA (Trucks Involved in Fatal Accidents) as the best source of accident data for accidents involving heavy trucks, and provided statistics on accident data collected between 1980 and 1990. The current study is an extension of the previous work and describes data collected for heavy truck accidents occurring between 1992 and 1996. The TIFA database created at the University of Michigan Transportation Research Institute was extensively utilized. Supplementary data on collision and fire severity, which was not available in the TIFA database, were obtained by reviewing police reports and interviewing responders and witnesses for selected TEA accidents. The results are described in terms of frequencies of different accident types and cumulative distribution functions for the peak contact velocity, rollover skid distance, effective fire temperature, fire size, fire separation, and fire duration.

SAR range-Doppler images are inherently 2-dimensional. Targets with a height offset lay over onto offset range and azimuth locations. Just which image locations are laid upon depends on the imaging geometry, including depression angle, squint angle, and target bearing. This is the well known layover phenomenon. Images formed with different aperture geometries will exhibit different layover characteristics. These differences can be exploited to ascertain target height information, in a stereoscopic manner. Depending on the imaging geometries, height accuracy can be on the order of horizontal position accuracies, thereby rivaling the best IFSAR capabilities in fine resolution SAR images. All that is required for this to work are two distinct passes with suitably different geometries from any plain old SAR.

A fast precondition technique has been developed which accelerates the finite difference solutions of the 3D Maxwell's equations for geophysical modeling. The technique splits the electric field into its curl free and divergence free projections, and allows for the construction of an inverse operator. Test examples show an order of magnitude speed up compared with a simple Jacobi preconditioner. Using this preconditioner a low frequency Neumann series expansion is developed and used to compute responses at multiple frequencies very efficiently. Simulations requiring responses at multiple frequencies, show that the Neumann series is faster than the preconditioned solution, which must compute solutions at each discrete frequency. A Neumann series expansion has also been developed in the high frequency limit along with spectral Lanczos methods in both the high and low frequency cases for simulating multiple frequency responses with maximum efficiency. The research described in this report was to have been carried out over a two-year period. Because of communication difficulties, the project was funded for first year only. Thus the contents of this report are incomplete with respect to the original project objectives.

Wavefront curvature defocus effects occur in spotlight-mode SAR imagery when reconstructed via the well-known polar-formatting algorithm (PFA) under certain imaging scenarios. These include imaging at close range, using a very low radar center frequency, utilizing high resolution, and/or imaging very large scenes. Wavefront curvature effects arise from the unrealistic assumption of strictly planar wavefronts illuminating the imaged scene. This dissertation presents a method for the correction of wavefront curvature defocus effects under these scenarios, concentrating on the generalized: squint-mode imaging scenario and its computational aspects. This correction is accomplished through an efficient one-dimensional, image domain filter applied as a post-processing step to PF.4. This post-filter, referred to as SVPF, is precalculated from a theoretical derivation of the wavefront curvature effect and varies as a function of scene location. Prior to SVPF, severe restrictions were placed on the imaged scene size in order to avoid defocus effects under these scenarios when using PFA. The SVPF algorithm eliminates the need for scene size restrictions when wavefront curvature effects are present, correcting for wavefront curvature in broadside as well as squinted collection modes while imposing little additional computational penalty for squinted images. This dissertation covers the theoretical development, implementation and analysis of the generalized, squint-mode SVPF algorithm (of which broadside-mode is a special case) and provides examples of its capabilities and limitations as well as offering guidelines for maximizing its computational efficiency. Tradeoffs between the PFA/SVPF combination and other spotlight-mode SAR image formation techniques are discussed with regard to computational burden, image quality, and imaging geometry constraints. It is demonstrated that other methods fail to exhibit a clear computational advantage over polar-formatting in conjunction with SVPF. This research concludes that PFA in conjunction with SVPF provides a computationally efficient spotlight-mode image formation solution that solves the wavefront curvature problem for most standoff distances and patch sizes, regardless of squint, resolution or radar center frequency. Additional advantages are that SVPF is not iterative and has no dependence on the visual contents of the scene: resulting in a deterministic computational complexity which typically adds only thirty percent to the overall image formation time.

Sandia National Laboratories has tested and evaluated the Kinemetrics/Quanterra Q730B-bb (broadband) and Q730B-sp (short period) borehole installation remote digitizers. The test results included in this report were for response to static and dynamic input signals, seismic application performance, data time-tag accuracy, and reference signal generator (calibrator) performance. Most test methodologies used were based on IEEE Standards 1057 for Digitizing Waveform Recorders and P1241 (Preliminary Draft) for Analog to Digital Converters; others were designed by Sandia specifically for seismic application evaluation and for supplementary criteria not addressed in the IEEE standards. When appropriate, test instrumentation calibration is traceable to the National Institute for Standards Technology (NIST).

The prediction of potential flow about zero thickness membranes by the boundary element method constitutes an integral component of the Lagrangian vortex-boundary element simulation of flow about parachutes. To this end, the vortex loop (or the panel) method has been used, for some time now, in the aerospace industry with relative success [1, 2]. Vortex loops (with constant circulation) are equivalent to boundary elements with piecewise constant variation of the potential jump. In this case, extending the analysis in [3], the near field potential velocity evaluations can be shown to be {Omicron}(1). The accurate evaluation of the potential velocity field very near the parachute surface is particularly critical to the overall accuracy and stability of the vortex-boundary element simulations. As we will demonstrate in Section 3, the boundary integral singularities, which arise due to the application of low order boundary elements, may lead to severely spiked potential velocities at vortex element centers that are near the boundary. The spikes in turn cause the erratic motion of the vortex elements, and the eventual loss of smoothness of the vorticity field and possible numerical blow up. In light of the arguments above, the application of boundary elements with (at least) a linear variation of the potential jump--or, equivalently, piecewise constant vortex sheets--would appear to be more appropriate for vortex-boundary element simulations. For this case, two strategies are possible for obtaining the potential flow field. The first option is to solve the integral equations for the (unknown) strengths of the surface vortex sheets. As we will discuss in Section 2.1, the challenge in this case is to devise a consistent system of equations that imposes the solenoidality of the locally 2-D vortex sheets. The second approach is to solve for the unknown potential jump distribution. In this case, for commonly used C{sup o} shape functions, the boundary integral is singular at the collocation points. Unfortunately, the development of elements with C{sup 1} continuity for the potential jumps is quite complicated in 3-D. To this end, the application of Galerkin ''smoothing'' to the boundary integral equations removes the singularity at the collocation points; thus allowing the use of C{sup o} elements and potential jump distributions [4]. Successful implementations of the Galerkin Boundary Element Method to 2-D conduction [4] and elastostatic [5] problems have been reported in the literature. Thus far, the singularity removal algorithms have been based on a posterior and mathematically complex reasoning, which have required Taylor series expansion and limit processes. The application of these strategies to 3-D is expected to be significantly more complicated. In this report, we develop the formulation for a ''Regularized'' Galerkin Boundary Element Method (RGBEM). The regularization procedure involves simple manipulations using vector calculus to reduce the singularity of the hypersingular boundary integral equation by two orders for C{sup o} elements. For the case of linear potential jump distributions over plane triangles the regularized integral is simplified considerably to a double surface integral of the Green function. This is the case implemented and tested in this report. Using the example problem of flow normal to a square flat plate, the linear RGBEM predictions are demonstrated here to be more accurate, to converge faster, and to be significantly less spiked than the solutions obtained by the vortex loop method.

The Waste Isolation Pilot Plant (WIPP), which is located in southeastern New Mexico, is being developed for the geologic disposal of transuranic (TRU) waste by the U.S. Department of Energy (DOE). Waste disposal will take place in panels excavated in a bedded salt formation approximately 2000 ft (610 m) below the land surface. The BRAGFLO computer program which solves a system of nonlinear partial differential equations for two-phase flow, was used to investigate brine and gas flow patterns in the vicinity of the repository for the 1996 WIPP performance assessment (PA). The present study examines the implications of modeling assumptions used in conjunction with BRAGFLO in the 1996 WIPP PA that affect brine and gas flow patterns involving two waste regions in the repository (i.e., a single waste panel and the remaining nine waste panels), a disturbed rock zone (DRZ) that lies just above and below these two regions, and a borehole that penetrates the single waste panel and a brine pocket below this panel. The two waste regions are separated by a panel closure. The following insights were obtained from this study. First, the impediment to flow between the two waste regions provided by the panel closure model is reduced due to the permeable and areally extensive nature of the DRZ adopted in the 1996 WIPP PA, which results in the DRZ becoming an effective pathway for gas and brine movement around the panel closures and thus between the two waste regions. Brine and gas flow between the two waste regions via the DRZ causes pressures between the two to equilibrate rapidly, with the result that processes in the intruded waste panel are not isolated from the rest of the repository. Second, the connection between intruded and unintruded waste panels provided by the DRZ increases the time required for repository pressures to equilibrate with the overlying and/or underlying units subsequent to a drilling intrusion. Third, the large and areally extensive DRZ void volumes is a significant source of brine to the repository, which is consumed in the corrosion of iron and thus contributes to increased repository pressures. Fourth, the DRZ itself lowers repository pressures by providing storage for gas and access to additional gas storage in areas of the repository. Fifth, given the pathway that the DRZ provides for gas and brine to flow around the panel closures, isolation of the waste panels by the panel closures was not essential to compliance with the U.S. Environment Protection Agency's regulations in the 1996 WIPP PA.

The parametric grid capability of the Knowledge Base provides an efficient, robust way to store and access interpolatable information which is needed to monitor the Comprehensive Nuclear Test Ban Treaty. To meet both the accuracy and performance requirements of operational monitoring systems, we use a new approach which combines the error estimation of kriging with the speed and robustness of Natural Neighbor Interpolation (NNI). The method involves three basic steps: data preparation (DP), data storage (DS), and data access (DA). The goal of data preparation is to process a set of raw data points to produce a sufficient basis for accurate NNI of value and error estimates in the Data Access step. This basis includes a set of nodes and their connectedness, collectively known as a tessellation, and the corresponding values and errors that map to each node, which we call surfaces. In many cases, the raw data point distribution is not sufficiently dense to guarantee accurate error estimates from the NNI, so the original data set must be densified using a newly developed interpolation technique known as Modified Bayesian Kriging. Once appropriate kriging parameters have been determined by variogram analysis, the optimum basis for NNI is determined in a process they call mesh refinement, which involves iterative kriging, new node insertion, and Delauny triangle smoothing. The process terminates when an NNI basis has been calculated which will fir the kriged values within a specified tolerance. In the data storage step, the tessellations and surfaces are stored in the Knowledge Base, currently in a binary flatfile format but perhaps in the future in a spatially-indexed database. Finally, in the data access step, a client application makes a request for an interpolated value, which triggers a data fetch from the Knowledge Base through the libKBI interface, a walking triangle search for the containing triangle, and finally the NNI interpolation.

This report documents Phase 2 of a project to design, develop, and test a zinc/bromine battery technology for use in utility energy storage applications. The project was co-funded by the U.S. Department of Energy Office of Power Technologies through Sandia National Laboratories. The viability of the zinc/bromine technology was demonstrated in Phase 1. In Phase 2, the technology developed during Phase 1 was scaled up to a size appropriate for the application. Batteries were increased in size from 8-cell, 1170-cm{sup 2} cell stacks (Phase 1) to 8- and then 60-cell, 2500-cm{sup 2} cell stacks in this phase. The 2500-cm{sup 2} series battery stacks were developed as the building block for large utility battery systems. Core technology research on electrolyte and separator materials and on manufacturing techniques, which began in Phase 1, continued to be investigated during Phase 2. Finally, the end product of this project was a 100-kWh prototype battery system to be installed and tested at an electric utility.

The advent of inductively coupled plasma-atomic emission spectrometers (ICP-AES) equipped with charge-coupled-device (CCD) detector arrays allows the application of multivariate calibration methods to the quantitative analysis of spectral data. We have applied classical least squares (CLS) methods to the analysis of a variety of samples containing up to 12 elements plus an internal standard. The elements included in the calibration models were Ag, Al, As, Au, Cd, Cr, Cu, Fe, Ni, Pb, Pd, and Se. By performing the CLS analysis separately in each of 46 spectral windows and by pooling the CLS concentration results for each element in all windows in a statistically efficient manner, we have been able to significantly improve the accuracy and precision of the ICP-AES analyses relative to the univariate and single-window multivariate methods supplied with the spectrometer. This new multi-window CLS (MWCLS) approach simplifies the analyses by providing a single concentration determination for each element from all spectral windows. Thus, the analyst does not have to perform the tedious task of reviewing the results from each window in an attempt to decide the correct value among discrepant analyses in one or more windows for each element. Furthermore, it is not necessary to construct a spectral correction model for each window prior to calibration and analysis: When one or more interfering elements was present, the new MWCLS method was able to reduce prediction errors for a selected analyte by more than 2 orders of magnitude compared to the worst case single-window multivariate and univariate predictions. The MWCLS detection limits in the presence of multiple interferences are 15 rig/g (i.e., 15 ppb) or better for each element. In addition, errors with the new method are only slightly inflated when only a single target element is included in the calibration (i.e., knowledge of all other elements is excluded during calibration). The MWCLS method is found to be vastly superior to partial least squares (PLS) in this case of limited numbers of calibration samples.

Corrosion is an important consideration in the design of a solder joint. In the case of a conduit, corrosion from both the outside service environment and the medium being transported within the pipe or tube must be addressed. Solder joints are susceptible to atmospheric corrosion, galvanic corrosion, voltage-assisted corrosion, stress corrosion cracking, and corrosion fatigue cracking. Galvanic corrosion is of particular concern, given the fact that solder joints are comprised of different metals or alloys in contact with one another.

Abstract not provided.

Casing deformation in producing geothermal wells is a common problem in many geothermal fields, mainly due to the active geologic formations where these wells are typically located. Repairs to deformed well casings are necessary to keep the wells in production and to occasionally enter a well for approved plugging and abandonment procedures. The costly alternative to casing remediation is to drill a new well to maintain production and/or drill a well to intersect the old well casing below the deformation for abandonment purposes. The U.S. Department of Energy and the Geothermal Drilling Organization sponsored research and development work at Sandia National Laboratories in an effort to reduce these casing remediation expenditures. Sandia, in cooperation with Halliburton Energy Services, developed a low cost, bridge-plug-type, packer for use in casing remediation work in geothermal well environments. This report documents the development and testing of this commercially available petal-basket packer called the Special Application Coiled Tubing Applied Plug (SACTAP).

Abstract not provided.

Chemically prepared Pb(Zr{sub 0.951}Ti{sub 0.949}){sub 0.982}Nb{sub 0.018}O{sub 3} ceramics were fabricated that were greater than 95% dense for sintering temperatures as low as 925 C. Achieving high density at low firing temperatures permitted isolation of the effects of grain size, from those due to porosity, on both dielectric and pressure induced transformation properties. Specifically, two samples of similar high density, but with grain sizes of 0.7 {micro}m and 8.5 {micro}m, respectively, were characterized. The hydrostatic ferroelectric (FE) to antiferroelectric (AFE) transformation pressure was substantially less (150 MPa) for the lower grain size material than for the larger grain size material. In addition, the dielectric constant increased and the Curie temperature decreased for the sample with lower 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 levels on the order of 100 MPa.

In this letter we discusses the first application of 3-dimensional nonlocal density functional calculations to the interactions of solvated rigid polymers. The three cases considered are cylindrical polymers, bead-chain polymers, and periodic polymers. We calculate potentials of mean force, and show that polymer surface structure plays a critical role in determining the solvation energy landscape which in turn controls routes to assembly of the macromolecules.

For optical fibers used in adverse environments, a carbon coating is frequently deposited on the fiber surface to prevent water and hydrogen ingression that lead respectively to strength degradation through fatigue and hydrogen-induced attenuation. The deposition of a hermetic carbon coating onto an optical fiber during the draw process holds a particular challenge when thermally-cured specialty coatings are subsequently applied because of the slower drawing rate. In this paper, we report on our efforts to improve the low-speed carbon deposition process by altering the composition and concentration of hydrocarbon precursor gases. The resulting carbon layers have been analyzed for electrical resistance, Raman spectra, coating thickness, and surface roughness, then compared to strength data and dynamic fatigue behavior.

We demonstrate for the first time anti-guided coupling of two adjacent vertical-cavity surface-emitting lasers (VCSEL's), obtaining a 1-by-2 phase-locked array at 869 nm. The lateral index modification required for anti-guiding is achieved by a patterned 3-rim etch performed between two epitaxial growths. In contrast with prior evanescently coupled VCSEL's, adjacent anti-guided VCSEL's can emit in-phase and produce a single on-axis lobe in the far field. Greater than 2 mW of in-phase output power is demonstrated with two VCSEL's separated by 8 {micro}m. Moreover, phase locking of two VCSEL's separated by 20 {micro}m is observed, indicating the possibility of a new class of optical circuits based upon VCSEL's that interact horizontally and emit vertically.

In this letter we report the growth (by MOVPE) and characterization of quaternary AlGaInN. A combination of PL, high-resolution XRD, and RBS characterizations enables us to explore and delineate the contours of equil-emission energy and lattice parameters as functions of the quaternary compositions. The observation of room temperature PL emission as short as 351nm (with 20% Al and 5% In) renders initial evidence that the quaternary could be used to provide confinement for GaInN (and possibly GaN). AlGaInN/GdnN MQW heterostructures have also been grown; both x-ray diffraction and PL measurement suggest the possibility of incorporating this quaternary into optoelectronic devices.

Sweeping algorithms have become very mature and can create a semi-structured mesh on a large set of solids. However, these algorithms require that all linking surfaces be mappable or submappable. This restriction excludes solids with imprints or protrusions on the linking surfaces. The grafting algorithm allows these solids to be swept. It then locally modifies the position and connectivity of the nodes on the linking surfaces to align with the graft surfaces. Once a high-quality surface mesh is formed on the graft surface, it is swept along the branch creating a 2 3/4-D mesh.

We present a new shape measure for tetrahedral elements that is optimal in the sense that it gives the distance of a tetrahedron from the set of inverted elements. This measure is constructed from the condition number of the linear transformation between a unit equilateral tetrahedron and any tetrahedron with positive volume. We use this shape measure to formulate two optimization objective functions that are differentiated by their goal: the first seeks to improve the average quality of the tetrahedral mesh; the second aims to improve the worst-quality element in the mesh. Because the element condition number is not defined for tetrahedral with negative volume, these objective functions can be used only when the initial mesh is valid. Therefore, we formulate a third objective function using the determinant of the element Jacobian that is suitable for mesh untangling. We review the optimization techniques used with each objective function and present experimental results that demonstrate the effectiveness of the mesh improvement and untangling methods. We show that a combined optimization approach that uses both condition number objective functions obtains the best-quality meshes.

Objective functions for unstructured hexahedral and tetrahedral mesh optimization are analyzed using matrices and matrix norms. Mesh untangling objective functions that create valid meshes are used to initialize the optimization process. Several new objective functions to achieve element invertibility and quality are investigated, the most promising being the ''condition number''. The condition number of the Jacobian matrix of an element forms the basis of a barrier-based objective function that measures the distance to the set of singular matrices and has the ideal matrix as a stationary point. The method was implemented in the Cubit code, with promising results.

Considerable progress has been made on automatic hexahedral mesh generation in recent years. Several automatic meshing algorithms have proven to be very reliable on certain classes of geometry. While it is always worth pursuing general algorithms viable on more general geometry, a combination of the well-established algorithms is ready to take on classes of complicated geometry. By partitioning the entire geometry into meshable pieces matched with appropriate meshing algorithm the original geometry becomes meshable and may achieve better mesh quality. Each meshable portion is recognized as a meshing feature. This paper, which is a part of the feature based meshing methodology, presents the work on shape recognition and volume decomposition to automatically decompose a CAD model into meshable volumes. There are four phases in this approach: (1) Feature Determination to extinct decomposition features, (2) Cutting Surfaces Generation to form the ''tailored'' cutting surfaces, (3) Body Decomposition to get the imprinted volumes; and (4) Meshing Algorithm Assignment to match volumes decomposed with appropriate meshing algorithms. The feature determination procedure is based on the CLoop feature recognition algorithm that is extended to be more general. Results are demonstrated over several parts with complicated topology and geometry.

A new method for lessening skew in mapped meshes is presented. This new method involves progressive subdivision of a surface into loops consisting of four sides. Using these loops, constraints can then be set on the curves of the surface, which will propagate interval assignments across the surface, allowing a mesh with a better skew metric to be generated.

Current hexahedral mesh generation techniques rely on a set of meshing tools, which when combined with geometry decomposition leads to an adequate mesh generation process. Of these tools, sweeping tends to be the workhorse algorithm, accounting for at least 50% of most meshing applications. Constraints which must be met for a volume to be sweepable are derived, and it is proven that these constraints are necessary but not sufficient conditions for sweepability. This paper also describes a new algorithm for detecting extruded or sweepable geometries. This algorithm, based on these constraints, uses topological and local geometric information, and is more robust than feature recognition-based algorithms. A method for computing sweep dependencies in volume assemblies is also given. The auto sweep detect and sweep grouping algorithms have been used to reduce interactive user time required to generate all-hexahedral meshes by filtering out non-sweepable volumes needing further decomposition and by allowing concurrent meshing of independent sweep groups. Parts of the auto sweep detect algorithm have also been used to identify independent sweep paths, for use in volume-based interval assignment.

Microelectromechanical Systems (MEMS) packaging is much different from conventional integrated circuit (IC) packaging. Many MEMS devices must interface to the environment in order to perform their intended function, and the package must be able to facilitate access with the environment while protecting the device. The package must also not interfere with or impede the operation of the MEMS device. The die attachment material should be low stress, and low outgassing, while also minimizing stress relaxation overtime which can lead to scale factor shifts in sensor devices. The fabrication processes used in creating the devices must be compatible with each other, and not result in damage to the devices. Many devices are application specific requiring custom packages that are not commercially available. Devices may also need media compatible packages that can protect the devices from harsh environments in which the MEMS device may operate. Techniques are being developed to handle, process, and package the devices such that high yields of functional packaged parts will result. Currently, many of the processing steps are potentially harmful to MEMS devices and negatively affect yield. It is the objective of this paper to review and discuss packaging challenges that exist for MEMS systems and to expose these issues to new audiences from the integrated circuit packaging community.

Soldering provides a cost-effective means for attaching electronic packages to circuit boards using both small scale and large scale manufacturing processes. Soldering processes accommodate through-hole leaded components as well as surface mount packages, including the newer area array packages such as the Ball Grid Arrays (BGA), Chip Scale Packages (CSP), and Flip Chip Technology. The versatility of soldering is attributed to the variety of available solder alloy compositions, substrate material methodologies, and different manufacturing processes. For example, low melting temperature solders are used with temperature sensitive materials and components. On the other hand, higher melting temperature solders provide reliable interconnects for electronics used in high temperature service. Automated soldering techniques can support large-volume manufacturing processes, while providing high reliability electronic products at a reasonable cost.

A liquid crystal (LC) and a side-chain liquid crystalline polymer (SCLCP) were tested as surface acoustic wave (SAW) vapor sensor coatings for discriminating between pairs of isomeric organic vapors. Both exhibit room temperature smectic mesophases. Temperature, electric-field, and pretreatment with self-assembled monolayers comprising either a methyl-terminated or carboxylic acid-terminated alkane thiol anchored to a gold layer in the delay path of the sensor were explored as means of affecting the alignment and selectivity of the LC and SCLCP films. Results for the LC were mixed, while those for the SCLCP showed a consistent preference for the more rod-like isomer of each isomer pair examined.

Most engineering alloys contain numerous alloying elements and their solidification behavior can not typically be modeled with existing binary and ternary phase diagrams. There has recently been considerable progress in the development of thermodynamic software programs for calculating solidification parameters and phase diagrams of multi-component systems. These routines can potentially provide useful input data that are needed in multi-component solidification models. However, these thermodynamic routines require validation before they can be confidently applied to simulations of alloys over a wide range of composition. In this article, a preliminary assessment of the accuracy of the Thermo-Calc NiFe Superalloy database is presented. The database validation is conducted by comparing calculated phase diagram quantities to experimental measurements available in the literature. Comparisons are provided in terms of calculated and measured liquidus and solidus temperatures and slopes, equilibrium distribution coefficients, and multi-component phase diagrams. Reasonable agreement is observed among the comparisons made to date. Examples are provided which illustrate how the database can be used to approximate the solidification sequence and final segregation patterns in multi-component alloys. An additional example of the coupling of calculated phase diagrams to solute redistribution computations in a commercial eight component Ni base superalloy is also presented.

Analytical expressions used to optimize AR coatings for single junction solar cells are extended for use in monolithic, series interconnected multi-junction solar cell AR coating design. The result is an analytical expression which relates the solar cell performance (through J{sub sc}) directly to the AR coating design through the device reflectance. It is also illustrated how AR coating design be used to provide an additional degree of freedom for current matching multi-junction devices.

The C49 to C54 TiSi{sub 2} transformation temperature is shown to be reduced by increasing the ramp rate during rapid thermal processing and this effect is more pronounced for thinner initial Ti and Ti(Ta) films. Experiments were performed on blanket wafers and on wafers that had patterned polycrystalline Si lines with Si{sub 3}N{sub 4} sidewall spacers. Changing the ramp rate caused no change in the transformation temperature for 60 nm blanket Ti films. For blanket Ti films of 25 or 40 nm, however, increasing the ramp rate from 7 to 180 C/s decreased the transformation temperature by 15 C. Studies of patterned lines indicate that sheet resistance of narrow lines is reduced by increased ramp rates for both Ti and Ti(Ta) films, especially as the linewidths decrease below 0.4 {micro}m. This improvement is particularly pronounced for the thinnest Ti(Ta) films, which exhibited almost no linewidth effect after being annealed with a ramp rate of 75 C/s.

The design, fabrication and characterization of a low-voltage rotary stepper motor are presented in this work. Using a five-level polysilicon MEMS technology, steps were taken to increase the capacitance over previous stepper motor designs to generate high torque at low voltages. A low-friction hub was developed to minimize frictional loads due to rubbing surfaces, producing an estimated resistive torque of about 6 pN-m. This design also allowed investigations into the potential benefit of using hard materials such as silicon nitride for lining of both the stationary and rotating hub components. The result is an electrostatic stepper motor capable of operation at less than six volts.

Scanning capacitance microscopy (SCM) was used to study the cross section of an operating p-channel MOSFET. We discuss the novel test structure design and the modifications to the SCM hardware that enabled us to perform SCM while applying dc bias voltages to operate the device. The results are compared with device simulations performed with DAVINCI.

NIST and Sandia have developed a procedure for producing and calibrating critical dimension (CD), or linewidth, reference materials. These reference materials will be used to calibrate metrology instruments used in semiconductor manufacturing. The artifacts, with widths down to 100 nm, are produced in monocrystalline silicon with all feature edges aligned to specific crystal planes. A two-part calibration of these linewidths is used: the primary calibration, with accuracy to within a few lattice plane thicknesses, is accomplished by counting the lattice planes across the sample as-imaged through use of high-resolution transmission electron microscopy (HRTEM). The secondary calibration is the high-precision electrical CD technique. NIST and Sandia are developing critical dimension (CD), or linewidth, reference materials for use by the semiconductor industry. To meet the current requirements of this rapidly changing industry, the widths of the reference features must be at or below the widths of the finest features in production and/or development. Further, these features must produce consistent results no matter which metrology tool (e.g., scanning electron microscope, scanned probe microscope, electrical metrology) is used to make the measurement. This leads to a requirement for the samples to have planar surfaces, known sidewall angles, and uniform material composition. None of the production techniques in use in semiconductor manufacturing can produce features with all these characteristics. In addition, requirements specified in the National Technology Roadmap for Semiconductors indicate that the width of the feature must be accurately calibrated to approximately 1-2 nm, a value well beyond the current capabilities of the instruments used for semiconductor metrology.

Concerning the mitigation of high pressure core melt scenarios, the design objective for future PWRS is to transfer high pressure core melt to low pressure core melt sequences, by means of pressure relief valves at the primary circuit, with such a discharge capacity to limit the pressure in the reactor coolant system to less than 20 bar. Studies have shown that in late in-vessel reflooding scenarios there may be a time window where the pressure is indeed in this range, at the moment of the reactor vessel rupture. It has to be verified that large quantities of corium released from the vessel after failure at pressures <20 bar cannot be carried out of the reactor pit, because the melt collecting and cooling concept of future PWRs would be rendered useless. Existing experiments investigated the melt dispersal phenomena in the context of the DCH resolution for existing power plants in the USA, most of them having cavities with large instrument tunnels leading into subcompartments. For such designs, breaches with small cross sections at high vessel failure pressures had been studied. However, some present and future European PWRs have an annular cavity design without a large pathway out of the cavity other than through the narrow annular gap between the RPV and the cavity wall. Therefore, an experimental program was launched, focusing on the annular cavity design and low pressure vessel failure. The first part of the program comprises two experiments which were performed with thermite melt steam and a prototypic atmosphere in the containment in a scale 1:10. The initial pressure in the RPV-model was 11 and 15 bars, and the breach was a hole at the center of the lower head with a scaled diameter of 100 cm and 40 cm, respectively. The main results were: 78% of melt mass were ejected out of the cavity with the large hole and 21% with the small hole; the maximum pressures in the model containment were 6 bar and 4 bar, respectively. In the second part of the experimental program a detailed investigation of geometry effects is being carried out. The test facility DISCO-C has been built for performing dispersion experiments with cold simulant materials in a 1/18 scale. The fluids are water or bismuth alloy instead of melt, and nitrogen or helium instead of steam.

The couplings among chemical reaction rates, advective and diffusive transport in fractured media or soils, and changes in hydraulic properties due to precipitation and dissolution within fractures and in rock matrix are important for both nuclear waste disposal and remediation of contaminated sites. This paper describes the development and application of LEHGC2.0, a mechanistically-based numerical model for simulation of coupled fluid flow and reactive chemical transport including both fast and slow reactions invariably saturated media. Theoretical bases and numerical implementations are summarized, and two example problems are demonstrated. The first example deals with the effect of precipitation-dissolution on fluid flow and matrix diffusion in a two-dimensional fractured media. Because of the precipitation and decreased diffusion of solute from the fracture into the matrix, retardation in the fractured medium is not as large as the case wherein interactions between chemical reactions and transport are not considered. The second example focuses on a complicated but realistic advective-dispersive-reactive transport problem. This example exemplifies the need for innovative numerical algorithms to solve problems involving stiff geochemical reactions.

We report the growth of InSb on GaAs using InAlSb buffers of high interest for magnetic field sensors. We have grown samples by metal-organic chemical vapor deposition consisting of {approximately} 0.55 {micro}m thick InSb layers with resistive InAlSb buffers on GaAs substrates with measured electron nobilities of {approximately}40,000 cm{sup 2}/V.s. We have investigated the In{sub 1{minus}x}Al{sub x}Sb buffers for compositions x{le}0.22 and have found that the best results are obtained near x=0.12 due to the tradeoff of buffer layer bandgap and lattice mismatch.