Publications

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

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

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

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

Abstract not provided.

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Abstract not provided.

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

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

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

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

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

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

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

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

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

Abstract not provided.

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

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

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

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

Abstract not provided.

Abstract not provided.

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

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

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

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

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

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

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

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

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