Publications

Abstract not provided.

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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