Publications

This report summarizes the results of a Laboratory Directed Research and Development (LDRD) effort to study and model surface acoustic wave (SAW) devices for environmental applications. The response of polymer-coated SAW devices to temperature changes and polymer vapor absorption is examined. A perturbational approach is used to relate velocity and attenuation responses to film translational and strain modes generated by the SAW. Two distinct regimes of film behavior arise, causing different SAW responses. For glassy films, displacement is nearly uniform across the film thickness, varying only in the direction of propagation. A model developed to predict velocity and attenuation in this regime, reduces to the familiar Tiersten (Wohltjen) equation for purely elastic films. For elastomeric (rubbery) films, inertial effects cause a phase lag to occur across the film for shear displacements. A model to account for these cross-film displacement gradients predicts a characteristic resonant response when the film phase shift reaches np/2, where n is an odd integer. These model predictions are compared with measured responses from polyisobutylene-coated SAW devices as temperature is varied and during exposure to high vapor concentrations.

The MC4523 Sealed Cap is a WW42C1 Percussion Primer that is pressed into a steel cylinder. Hermaticity of the input end is then provided by welding a thin steel closure disk on the input end of the MC4523. Thus, the user is provided with a component that is prequalified in terms of ignition sensitivity and hermeticity. The first customer is the Thermal Battery Department (1522). The MC4523 will be used on the MC2736A Thermal Battery which in turn will be used on the W78 JTA. Attachment of the MC4523 to the battery is with a laser weld. Combined test results of four production lots at a commercial supplier (PPI, TMS, WR1, and WR2) show an all-fire ignition sensitivity (.999 @ 50%) of approximately 60 millijoules of mechanical energy with a 2.2 gram firing pin. The firing pin had an impact tip with a radius of 0.020 inch. This firing pin is like that to be used in the W78 JTA application. Approximately 112 millijoules of mechanical energy will be supplied in the application, thus the design margin is more than adequate.

A sinkhole formed over the former salt mine used for crude oil storage by the U.S. Strategic Petroleum Reserve at Weeks Island, Louisiana. This created a dilemma because in-mine grouting was not possible, and external grouting, although possible, was impractical. However, environmental protection during oil withdrawal and facility decommissioning was considered critical and alternative solutions were essential. Mitigation of, the sinkhole growth over the salt mine was accomplished by injecting saturated brine directly into the sinkhole throat, and by constructing a cylindrical freeze curtain around and into the dissolution orifice at the top of the salt dome. These measures vastly reduced the threat of major surface collapse around the sinkhole during oil transfer and subsequent brine backfill. The greater bulk of the crude oil was removed from the mine during 1995-6. Final skimming operations will remove residual oil trapped in low spots, concurrent with initiating backfill of the mine with saturated brine. Environmental monitoring during 1995-9 will assure that environmental surety is achieved.

It is well known that water plays an important role in the degradation of adhesive strength between a wide variety of materials. It is also well established that silane coupling agents can provide excellent bond durability in aqueous environments. However, the detrimental effects of interfacial water are not limited to adhesive failure. The present study was motivated by concerns in the printed circuit board industry regarding the loss of electrical resistance, as well as adhesive failure, which may arise from water at epoxy/silane/E-glass interphases. The commercial silane finish used in this study provides excellent adhesive strength between epoxy and E-glass, and remarkable bond durability even after extensive conditioning in boiling water or a pressure cooker. However, circuit boards with this finish do not perform well in insulation resistance testing following such conditioning. The goal of this work is to develop a detailed understanding of the mechanism by which water interacts with a resin/silane interphase, with a focus on the consequences for both electrical resistance and adhesion. The present report focuses on the measurement of profiles of adsorbed moisture by neutron reflection.

This report describes the process and results from an effort to develop metrics for program accomplishments for the FY 1997 budget submission of the U.S. Department of Energy Environmental Management International Technology Integration Program (EM-ITI). The four-step process included interviews with key EM-ITI staff, the development of a strawman program logic chart, and all day facilitated workshop with EM-ITI staff during which preliminary performance plans and measures were developed and refined, and a series of follow-on discussions and activities including a cross-organizational project data base. The effort helped EM-ITI to crystallize and develop a unified vision of their future which they can effectively communicate to their own management and their internal and external customers. The effort sets the stage for responding to the Government Performance and Results Act. The metrics developed may be applicable to other international technology integration programs. Metrics were chosen in areas of eight general performance goals for 1997-1998: (1) number of forums provided for the exchange of information, (2) formal agreements signed, (3) new partners identified, (4) customers reached and satisfied, (5, 6) dollars leveraged by EM technology focus area and from foreign research, (7) number of foreign technologies identified for potential use in remediation of DOE sites, and (8) projects advanced through the pipeline.

This report describes the research performed under the laboratory-Directed Research and Development (LDRD) grant {open_quotes}A new approach to protein function and structure prediction{close_quotes}, funded FY94-6. We describe the goals of the research, motivate and list our improvements to the state of the art in multiple sequence alignment and phylogeny (evolutionary tree) construction, but leave technical details to the six publications resulting from this work. At least three algorithms for phylogeny construction or tree consensus have been implemented and used by researchers outside of Sandia.

The primary current-collector materials being used in lithium-ion cells are susceptible to environmental degradation: aluminum to pitting corrosion and copper to environmentally assisted cracking. Pitting occurs at the highly oxidizing potentials associated with the positive-electrode charge condition. However, the pitting mechanism is more complex than that typically observed in aqueous systems in that the pits are filled with a mixed metal/oxide product and exist as mounds or nodules on the surface. Electrochemical impedance spectroscopy was shown to be an effective analytical tool for quantifying and verifying aluminum corrosion behavior. Two fluorocarbon-based coatings were shown to improve the resistance of Al to pitting attack. Detailed x-ray photoelectron spectroscopy (XPS) surface analyses showed that there was very little difference in the films observed after simple immersion in either PC:DEC or EC:DMC electrolytes versus those following electrical cycling. Li and P are the predominant surface species. Finally, environmental cracking of copper can occur at or near the lithium potential and only if specific metallurgical conditions exist (work-hardening and large grain size).

The corrosion and gas-generation characteristics of four material types: low-carbon steel (the current waste packaging material for the Waste Isolation Pilot Plant), Cu-base and Ti-base (alternative packaging) materials, and Al-base (simulated waste) materials were determined in both the liquid and vapor phase of Brine A, a brine representative of an intergranular Salado Formation brine. Test environments consisted primarily of anoxic brine with overpressures of N{sub 2}, CO{sub 2}, H{sub 2}S, and H{sub 2}. Limited tests of low-carbon steel were also performed in simulated-backfill environments and in brine environments with pH values ranging from 3 to 11. Low-carbon steel reacted at a slow, measurable rate with anoxic brine, liberating H{sub 2} on an equimolar basis with Fe reacted. Presence of CO{sub 2} caused the initial reaction to proceed more rapidly, but CO{sub 2}-induced passivation stopped the reaction if the CO{sub 2} were present in sufficient quantities. Addition of H{sub 2}S to a CO{sub 2}-passivated system caused reversal of the passivation. Low-carbon steel immersed in brine with H{sub 2}S showed no reaction, apparently because of passivation of the steel by formation of FeS. Addition of CO{sub 2} to an H{sub 2}S-passivated system did not reverse the passivation. Cu- and Ti-base materials showed essentially no corrosion when exposed to brine and overpressures of N{sub 2}, CO{sub 2}, and H{sub 2}S except for the rapid and complete reaction between Cu-base materials and H{sub 2}S. The Al-base materials reacted at approximately the same rate as low-carbon steel when immersed in anoxic Brine A; considerably more rapidly in the presence of CO{sub 2} or H{sub 2}S; and much more rapidly when iron was present in the system as a brine contaminant. High-purity Al was much more susceptible to corrosion than the 6061 alloy. No significant reaction took place on any material in any environment in the vapor-phase exposures.

Dielectric optical waveguides exhibit properties that are well suited to sensor applications. They have low refractive index and are transparent to a wide range of wavelengths. They can react with the surrounding environment in a variety of controllable ways. In certain sensor applications, it is advantageous to integrate the dielectric waveguide on a semiconductor substrate with active devices. In this work, we demonstrate a tamper sensor based on dielectric waveguides that connect epitaxial GaAs-GaAlAs sources and detectors. The tamper sensing function is realized by attaching particles of absorbing material with high refractive index to the surface of the waveguides. These absorbers are then attached to a lid or cover, as in an integrated circuit package or multi-chip module. The absorbers attenuate the light in the waveguides as a function of absorber interaction. In the tamper indicating mode, the absorbers are placed randomly on the waveguides, to form a unique attenuation pattern that is registered by the relative signal levels on the photodetectors. When the lid is moved, the pattern of absorbers changes, altering the photodetector signals. This dielectric waveguide arrangement is applicable to a variety of sensor functions, and specifically can be fabricated as a chemical sensor by the application of cladding layers that change their refractive index and/or optical absorption properties upon exposure to selected chemical species. An example is found in palladium claddings that are sensitive to hydrogen. A description of designs and a basic demonstration of the tamper sensing and chemical sensing functions is described herein.

The interior and exterior ballistic development of a 20mm saboted penetrator projectile is discussed. Exterior ballistic performance test results are also presented.

The Microelectronics Development Laboratory (MDL) contains 3,000 m{sup 2}, Which includes 1,000 m{sup 2}of Class I clean room space. There are 20 laminar flow Class I clean room bays. The MDL supplies several, full-flow process technologies which produce complementary metal oxide semiconductor (CMOS) integrated circuits using 150 nun diameter silicon wafers. All gases, chemicals and physical hazards used in the fabrication processes are controlled to levels well below regulatory requirements. Facility engineering controls in the MDL include toxic and pyrophoric gas monitoring, interlocks, ventilation, substitution and chemical segregation. Toxic and pyrophoric gases are monitored continuously inside processing tools as well as through the exhaust lines, gas cabinets, the valve boxes, and in general work areas. The toxic gas monitoring systems are interlocked to gas shutoff valves and have both low and high level alarms. In-use process gases are stored in exhausted cabinets. All chemicals and gases are segregated by chemical type. The processes are organized into eight sector areas that consist of photolithography, wet processes, dry etch, ion implant, metals, diffusion, chemical vapor deposition (CVD) and chemical mechanical polishing (CW). Each morning, engineering, safety and facilities personnel meet to review the equipment and wafer lot status and discuss processing issues. Hazards are assessed in the MDL with periodic walkthroughs, continuous toxic and pyrophoric gas monitoring and personal monitoring. All chemicals and gases proposed for use in the MDL are reviewed by the industrial hygienist and must be approved by a manager before they are purchased. All new equipment and processes are reviewed by a hazard and barrier committee and cannot be used in the MDL without the committee`s approval and an IH hazard assessment. Overall risk of operating the MDL has been reduced to a level that is as low as reasonable achievable for this research facility.

A key issue in performance assessment of low-level radioactive waste sites is predicting the transport and retardation of radionuclides through local soils under a variety of hydrologic and geochemical conditions. Improved transport codes should include a mechanistic model of radionuclide retardation. The authors have been investigating metal sorption (Cs{sup +}, Sr{sup 2+}, and Ba{sup 2+}) on a simple clay mineral (kaolinite) to better understand the geochemical interactions of common soil minerals with contaminated groundwaters. These studies include detailed characterizations of kaolinite surfaces, experimental adsorption measurements, surface complexation modeling, and theoretical simulations of cation sorption. The aluminol edge (010) site has been identified as the most likely site for metal sorption on kaolinite in natural solutions. Relative metal binding strengths decrease from Ba{sup 2+} to Sr{sup 2+} to Cs{sup +}, with some portion sorbed on both kaolinite edges and basal surfaces. Some Cs{sup +} also appears to be irreversibly sorbed on both sites. Molecular dynamics simulations suggest that Cs{sup +} is sorbed at aluminol (010) edge sites as an inner-sphere complex and weakly sorbed as an outer-sphere complex on (001) basal surfaces. These results provide the basis to understand and predict metal sorption onto kaolinite, and a framework to characterize sorption processes on more complex clay minerals.

This report describes recent work done to demonstrate feasibility of a fail-safe Through Bulkhead Initiator with minimum dimensions and suitable for use in cyclical thermal environments. Much of the ground work for a fail-safe TBI was previously done by A.C. Schwartz. This study is an expansion of Schwartz`s work to evaluate devices with bulkheads of 304 stainless steel and Inconel 718; explosive donors of PETN, BNCP, and a 0.005 inch thick steel flying plate donor traveling at 2.6 mm/{micro}s; and explosive acceptors of PETN and BNCP. Bulkhead thickness were evaluated in the range of 0.040 to 0.180 inch. The explosive acceptors initiated a small HMX pellet to drive a 0.005 inch thick steel flying plate, and VISAR histories of the HMX-driven flying plates were the measure of acceptable performance. A companion set of samples used a PMMA acceptor to measure the particle velocities at the bulkhead/PMMA interface with VISAR. These data were used to compute the input pressure to the acceptor explosives in an attempt to measure initiation threshold. Unfortunately, the range of bulkhead thicknesses tested did not give any failures, thus the threshold was not determined. It was found that either explosive or the flying plate would perform as a TBI in the bulkhead thickness range tested. The optimum TBI is about 0.060 inches thick, and steel bulkheads seem to be more structurally sound than those made of Inconel. That is, cross section views of the Inconel bulkheads showed it to be more prone to stress cracking than was the 304 stainless steel. Both PETN and BNCP showed good performance when tested at {minus}65 F following thermal cycling of {minus}65 F to +165 F. Analysis of the TBI function times showed that BNCP acceptor explosives were undergoing the classical deflagration to detonation process. The PETN acceptors were undergoing prompt detonation.

Over the last fifteen years, Sandia National Laboratories Security Systems and Technology Center, Department 5800, has been involved in several laboratory tests of various biometric identification devices. These laboratory tests were conducted to verify the manufacturer`s performance claims, to determine strengths and weaknesses of particular devices, and to evaluate which devices meet the US Department of Energy`s unique needs for high-security devices. However, during a recent field installation of one of these devices, significantly different performance was observed than had been predicted by these laboratory tests. This report documents the data analysis performed in the search for an explanation of these differences.

The monolithic integration of micromechanical devices with their controlling electronics offers potential increases in performance as well as decreased cost for these devices. Analog Devices has demonstrated the commercial viability of this integration by interleaving micromechanical fabrication steps with microelectronic fabrication steps to produce a single-axis accelerometer on a chip. A next-generation integrated technology developed at Sandia National Laboratories eliminates many of the constraints associated with Analog`s process. This new technology enables the manufacture of complex micromachined sensor systems on a chip. An overview of Sandia`s micromachined system-on-a-chip technology along with application of the technology to inertial sensor systems designed by researchers at U.C. Berkeley will be given.

The fundamental goal of this research has been to improve computational efficiency of the Visually Empirical Region of Influence (VERI) based clustering and pattern recognition (PR) algorithms we developed in previous work. The original clustering algorithm, when applied to data sets with N points, ran in time proportional to N{sup 3} (denoted with the notation O (N{sup 3})), which limited the size of data sets it could find solutions for. Results generated from our original clustering algorithm were superior to commercial clustering packages. These results warranted our efforts to improve the runtimes of our algorithms. This report describes the new algorithms, advances and obstacles met in their development. The report gives qualitative and quantitative analysis of the improved algorithms performances. With the information in this report, an interested user can determine which algorithm is best for a given problem in clustering (2-D) or PR (K-D), and can estimate how long it will run using the runtime plots of the algorithms before using any software.

Cooperative monitoring systems can play an important part in promoting the implementation of regional cooperative security agreements. These agreements advance the national security interests of the United States in a post Cold War environment. Regional issues as widely varying as nuclear nonproliferation, trade and environmental pollution can be the source of tensions which may escalate to armed conflict which could have global implications. The Office of National Security Policy Analysis at the US Department of Energy (DOE) has an interest in seeking ways to promote regional cooperation that can reduce the threats posed by regional conflict. DOE technologies and technical expertise can contribute to developing solutions to a wide variety of these international problems. Much of this DOE expertise has been developed in support of the US nuclear weapons and arms control missions. It is now being made available to other agencies and foreign governments in their search for regional security and cooperation. This report presents two examples of interest to DOE in which monitoring technologies could be employed to promote cooperation through experimentation. The two scenarios include nuclear transparency in Northeast Asia and environmental restoration in the Black Sea. Both offer the potential for the use of technology to promote regional cooperation. The issues associated with both of these monitoring applications are presented along with examples of appropriate monitoring technologies, potential experiments and potential DOE contributions to the scenarios.

Interferometric Synthetic Aperture Radar (IFSAR) is a very promising technology for remote mapping of 3-Dimensional objects. In particular, 3-D maps of urban areas are extremely important to a wide variety of users, both civilian and military. However, 3-D maps produced by traditional optical stereo (stereogrammetry) techniques can be quite expensive to obtain, and accurate urban maps can only be obtained with a large amount of human-intensive interpretation work. IFSAR has evolved over the last decade as a mapping technology that promises to eliminate much of the human-intensive work in producing elevation maps. However, IFSAR systems have only been robustly demonstrated in non-urban areas, and have not traditionally been able to produce data with enough detail to be of general use in urban areas. Sandia Laboratories Twin Otter IFSAR was the first mapping radar system with the proper parameter set to provide sufficiently detailed information in a large number of urban areas. The goal of this LDRD was to fuse previously unused information derived from IFSAR data in urban areas that can be used to extract accurate digital elevation models (DEMs) over wide areas without intensive human interaction.

This report contains the results of a Sandia National Laboratories Directed Research and Development (LDRD) program to investigate the integration of Global Positioning System (GPS) and inertial navigation system (INS) technologies toward the goal of optimizing the navigational accuracy of the combined GPSANS system. The approach undertaken is to integrate the data from an INS, which has long term drifts, but excellent short term accuracy, with GPS carrier phase signal information, which is accurate to the sub-centimeter level, but requires continuous tracking of the GPS signals. The goal is to maintain a sub-meter accurate navigation solution while the vehicle is in motion by using the GPS measurements to estimate the INS navigation errors and then using the refined INS data to aid the GPS carrier phase cycle slip detection and correction and bridge dropouts in the GPS data. The work was expanded to look at GPS-based attitude determination, using multiple GPS receivers and antennas on a single platform, as a possible navigation aid. Efforts included not only the development of data processing algorithms and software, but also the collection and analysis of GPS and INS flight data aboard a Twin Otter aircraft. Finally, the application of improved navigation system accuracy to synthetic aperture radar (SAR) target location is examined.

Gas generation from the microbial degradation of the organic constituents of transuranic waste under conditions expected at the Waste Isolation Pilot Plant (WIPP) repository was investigated at Brookhaven National Laboratory. The biodegradation of mixed cellulosics (various types of paper) and electron-beam irradiated plastic and rubber materials (polyethylene, polyvinylchloride, neoprene, hypalon, and leaded hypalon) was examined. The rate of gas production from cellulose biodegradation in inundated samples incubated for 1,228 days at 30 C was biphasic, with an initial rapid rate up to approximately 600 days incubation, followed by a slower rate. The rate of total gas production in anaerobic samples containing mixed inoculum was as follows: 0.002 mL/g cellulose/day without nutrients; 0.004 mL/g cellulose/day with nutrients; and 0.01 mL/g cellulose/day in the presence of excess nitrate. Carbon dioxide production proceeded at a rate of 0.009 {micro}mol/g cellulose/day in anaerobic samples without nutrients, 0.05 {micro}mol/g cellulose/day in the presence of nutrients, and 0.2 {micro}mol/g cellulose/day with excess nitrate. Adding nutrients and excess nitrate stimulated denitrification, as evidenced by the accumulation of N{sub 2}O in the headspace (200 {micro}mol/g cellulose). The addition of the potential backfill bentonite increased the rate of CO{sub 2} production to 0.3 {micro}mol/g cellulose/day in anaerobic samples with excess nitrate. Analysis of the solution showed that lactic, acetic, propionic, butyric, and valeric acids were produced due to cellulose degradation. Samples incubated under anaerobic humid conditions for 415 days produced CO{sub 2} at a rate of 0.2 {micro}mol/g cellulose/day in the absence of nutrients, and 1 {micro}mol/g cellulose/day in the presence of bentonite and nutrients. There was no evidence of biodegradation of electron-beam irradiated plastic and rubber.

This report describes a Strategic Environmental Research and Development Program (SERDP) project to field a dish/Stirling system at a southwestern US military facility. This project entitled ``Dish/Stirling for DoD Applications`` was started in August 1993 and was completed in September 1996. The project`s objective was to assist military facilities to field and evaluate emerging environmentally sound and potentially economical dish/Stirling technology. Dish/Stirling technology has the potential to produce electricity at competitive costs while at the same time providing a secure and environmentally benign source of power. In accordance with the SERDP charter, this project leveraged a US Department of Energy (DOE) cost-shared project between Sandia National Laboratories and Cummins Power Generation, Inc. (CPG). CPG is a wholly owned subsidiary of Cummins Engine Company, a leading manufacturer of diesel engines. To accomplish this objective, the project called for the installation of a dish/Stirling system at a military facility to establish first-hand experience in the operation of a dish/Stirling system. To scope the potential DoD market for dish/Stirling technology and to identify the site for the demonstration, a survey of southwestern US military facilities was also conducted. This report describes the project history, the Cummins dish/Stirling system, results from the military market survey, and the field test results.

Nuclear weapons have been produced in the US since the early 1950s by a network of contractor-operated Department of Energy (DOE) facilities collectively known as the Nuclear Weapon Complex (NWC). Recognizing that the failure of an essential process might stop weapon production for a substantial period of time, the DOE Albuquerque Operations office initiated the Production Risk Evaluation Program (PREP) at Sandia National Laboratories (SNL) to assess quantitatively the potential for serious disruptions in the NWC weapon production process. PREP was conducted from 1984-89. This document is an unclassified summary of the effort.

This report summarizes tests on five different foams. Two are manufactured at Allied Signal, two at North Carolina Foam Industries, and one at General Plastics. The tests conducted are: thermal conductivity at various temperatures, specific heat at 60{degrees}C, compressive strength at ambient and 60{degrees}C, thermogravimetric analysis to 800{degrees}C, intumescence, and char formation properties. A CHN analysis was also performed. Funding for the testing of rigid polyurethane foams originated from the AT-400A container program at Sandia National Laboratories. This testing supported the development of the AT-400A container. The AT-400A is a storage and transportation container that will be used initially at the Pantex Plant for storage of plutonium from dismantled nuclear weapons.

This paper describes results from efforts to develop VOC sensing systems based on two complementary techniques. The first technique used a gated channeltron detector for resonant laser-induced multiphoton photoionization detection of trace organic vapors in a supersonic molecular beam. The channeltron was gated using a relatively simple circuit to generate a negative gate pulse with a width of 400 ns (FWHM), a 50 ns turn-on (rise) time, a 1.5 {mu}s turn-off (decay) time, a pulse amplitude of {minus}1000 Volts, and a DC offset adjustable from zero to {minus}1500 Volts. The gated channeltron allows rejection of spurious responses to UV laser light scattered directly into the channeltron and time-delayed ionization signals induced by photoionization of residual gas in the vacuum chamber. Detection limits in the part-per-trillion range have been demonstrated with the gated detector. The second technique used arrays of surface acoustic wave (SAW) devices coated with various chemically selective materials (e.g., polymers, self assembled monolayers) to provide unique response patterns to various chemical analytes. This work focused on polymers, formed by spin casting from solution or by plasma polymerization, as well as on self assembled monolayers. Response from coated SAWs to various concentrations of water, volatile organics, and organophosphonates (chemical warfare agent simulants) were used to provide calibration data. A novel visual empirical region of influence (VIERI) pattern recognition technique was used to evaluate the ability to use these response patterns to correctly identify chemical species. This investigation shows how the VERI technique can be used to determine the best set of coatings for an array, to predict the performance of the array even if sensor responses change due to aging of the coating materials, and to identify unknown analytes based on previous calibration data.

Paving is an automated mesh generation algorithm which produces all-quadrilateral elements. It can additionally generate these elements in varying sizes such that the resulting mesh adapts to a function distribution, such as an error function. While powerful, conventional paving is a very serial algorithm in its operation. Parallel paving is the extension of serial paving into parallel environments to perform the same meshing functions as conventional paving only on distributed, discretized models. This extension allows large, adaptive, parallel finite element simulations to take advantage of paving`s meshing capabilities for h-remap remeshing. A significantly modified version of the CUBIT mesh generation code has been developed to host the parallel paving algorithm and demonstrate its capabilities on both two dimensional and three dimensional surface geometries and compare the resulting parallel produced meshes to conventionally paved meshes for mesh quality and algorithm performance. Sandia`s {open_quotes}tiling{close_quotes} dynamic load balancing code has also been extended to work with the paving algorithm to retain parallel efficiency as subdomains undergo iterative mesh refinement.