Publications

Many important products and technologies were developed in federal laboratories and were driven initially by national needs and for federal applications. For example, the clean room technology that enhanced the growth of the semiconductor industry was developed at Sandia National Laboratories (SNL) decades ago. Similarly, advances in micro-electro-mechanical-systems (MEMS)--an important set of process technologies vital for product miniaturization--are occurring at SNL. Each of the more than 500 federal laboratories in the US, are sources of R and D that contributes to America's economic vitality, productivity growth and, technological innovation. However, only a fraction of the science and technology available at the federal laboratories is being utilized by industry. Also, federal laboratories have not been applying all the business development processes necessary to work effectively with industry in technology commercialization. This paper addresses important factors that federal laboratories, federal agencies, and industry must address to translate these under utilized technologies into profitable products in the industrial sector.

This paper reports on a recent comparison made between the Air Force Research Laboratory (AFRL) gallium arsenide, optically-triggered switch test configuration and the Sandia National Laboratories (SNL) gallium arsenide, optically-triggered switch test configuration. The purpose of these measurements was to compare the temporal switch jitter times. It is found that the optical trigger laser characteristics are dominant in determining the PCSS jitter.

This contribution provides Sandia's strawballot comments for the Security Version l.l specification, STR-SEC-02.01. Two major comments are addressed here that pertain to potential problems with the use of the Security Association Section digital signature, and potential inconsistencies with the allocation of relative identifiers in the initiating security agent.

The authors have developed a model for the probabilistic behavior of a rechargeable battery acting as the energy storage component in a photovoltaic power supply system. Stochastic and deterministic models are created to simulate the behavior of the system components. The components are the solar resource, the photovoltaic power supply system, the rechargeable battery, and a load. One focus of this research is to model battery state of charge and battery capacity as a function of time. The capacity damage effect that occurs during deep discharge is introduced via a non-positive function of duration and depth of deep discharge events. Because the form of this function is unknown and varies with battery type, the authors model it with an artificial neural network (ANN) whose parameters are to be trained with experimental data. The battery capacity loss model will be described and a numerical example will be presented showing the predicted battery life under different PV system use scenarios.

Over the years that radioactive material (RAM) transportation risk estimates have been calculated using the RADTRAN code, demand for improved geographic resolution of route characteristics, especially density of population neighboring route segments, has led to code improvements that provide more specific route definition. With the advent of geographic information systems (GISs), the achievable resolution of route characteristics is theoretically very high. The authors have compiled population-density data in 1-kilometer increments for routes extending over hundreds of kilometers without impractical expenditures of time. Achievable resolution of analysis is limited, however, by the resolution of available data. U.S. Census data typically have 1-km or better resolution within densely-populated portions of metropolitan areas but census blocks are much larger in rural areas. Geographic resolution of accident-rate data, especially for heavy/combination trucks, are typically tabulated on a statewide basis. These practical realities cause one to ask what level(s) of resolution may be necessary for meaningful risk analysis of transportation actions on a state or interstate scale.

Microfabrication technology has been applied to the development of a miniature, multi-channel gas phase chemical laboratory that provides fast response, small size, and enhanced versatility and chemical discrimination. Each analysis channel includes a sample preconcentrator followed by a gas chromatographic separator and a chemically selective surface acoustic wave detector array to achieve high sensitivity and selectivity. The performance of the components, individually and collectively, is described.

Electrical surges on ac and dc inverter power wiring and diagnostic cables have the potential to shorten the lifetime of power electronics. These surges may be caused by either nearby lightning or capacitor switching transients. This paper contains a description of ongoing surge evaluations of PV power electronics and surge mitigation hardware at Sandia.

This paper discusses the characteristics and needed improvements/enhancements required for the expansion of the grid-tied residential power systems market. The purpose of the paper is to help establish a common understanding, between the technical community and the customers of the technology, of value and costs and what is required in the longer term for reaching the full potential of this application.

This study of adhesional strength and surface analysis of encapsulant and silicon cell samples from a Natural Bridges National Monument (NBNM) Spectrolab module is an attempt to understand from its success. The module was fabricated using polyvinyl butyral (PVB) as an encapsulant. The average adhesional shear strength of the encapsulant at the cell/encapsulant interface in this module was 4.51 MPa or {approximately} 18% lower than that in currently manufactured modules. Typical encapsulant surface composition was as follows: C 75.0 at.% O 23.2 at.%, and Si 1.6 at.%, with Ag {approximately}0.2 at.% and Pb {approximately} 0.5 at.% with some tin respectively over the grid lines and solder bond. Representative silicon cell surface composition was: K 1.4 at.%, C 20.8 at.%, Sn 0.94 at.%, O 15.1 at.%, Na 2.7 at.% and Si 59.0 at.%. The presence of tin detected on the silicon cell surface may be attributed to corrosion of solder bond. The module differs from typical contemporary modules in the use of PVB, metallic mesh type interconnection, and silicon oxide AR coating.

The authors define what they mean by a 30-year module life and the testing protocol that they believe is involved in achieving such a prediction. However, they do not believe that a universal test (or series of tests) will allow for such a prediction to be made. They can test for a lot of things, but they believe it is impossible to provide a 30-year certification for any PV module submitted for test. They explain their belief in this paper.

High photovoltaic (PV) system costs hinder market growth. An approach to studying these costs has been developed using a database containing system, component and maintenance information. This data, which is both technical and non-technical in nature, is to be used to identify trends related to costs. A pilot database exists at this time and work is continuing. The results of this work may be used by the data owners to improve their operations with the goal of sharing non-attributable information with the public and industry at large. The published objectives of the DOE PV program are to accelerate the development of PV as a national and global energy option, as well as ensure US technology and global market leadership. The approach to supporting these objectives is to understand what drives costs in PV applications. This paper and poster session describe work-in-progress in the form of a database that will help identify costs in PV systems. In an effort to address DOE's Five-Year PV Milestones, a program was established in the summer of 1999 to study system costs in three PV applications--solar home lighting, water pumping, and grid-tied systems. This work began with a RFQ requesting data from these types of systems. Creating a partnership with industry and other system organizations such as Non-Government Organizations (NGOs) was the approach chosen to maintain a close time to the systems in the field. Nine participants were selected as partners, who provided data on their systems. Two activities are emphasized in this work. For the first, an iterative approach of developing baseline reliability and costs information with the participants was taken. This effort led to identifying typical components in these systems as well as the specific data (metrics) that would be needed in any analysis used to understand total systems costs.

The newly revised standard, IEEE Std 929-2000, has significant positive implications for those designing inverters for utility-interconnected PV systems and for designers and installers of such systems. A working group of roughly 20 people, including PV systems designers/installers, PV inverter manufacturers and utility engineers spent close to 3 years developing a standard that would be useful and beneficial to all.

This paper describes an approach that was developed to produce structured models that graphically reflect the requirements contained within a text document. The document used in this research is a draft policy document governing business in a research and development environment. In this paper, the authors present a basic understanding of why this approach is needed, the techniques developed, lessons learned during modeling and analysis, and recommendations for future investigation. The modeling method applied on the policy document was developed as an extension to entity relationship (ER) diagrams, which built in some structural information typically associated with object-oriented techniques. This approach afforded some structure as an analysis tool, while remaining flexible enough to be used with the text document. It provided a visual representation that allowed further analysis and layering of the model to be done.

Engineers have learned to design and build big projects, which certainly describes the WIPP project, but also includes defense projects, highway networks, space exploration, the Internet, etc., through what has been called a messily complex embracing of contradictions. When something massive and complicated has to be built these days, it leads to a protracted political process in which every special interest makes a stand, lobbyists exert what influence they can, lawmakers bicker, contractors change things, Congress struggles with costs, environmentalists hold things up--and this is good. It may seem amazing that anything gets done, but when it does, everyone has had their say. It's an intensely democratic, even if expensive and time-consuming, process. The corporate historian of Sandia National Laboratories presents a unique background of the WIPP project and Sandia's part in it.

Abstract not provided.

As computational needs for structural finite element analysis increase, a robust implicit structural dynamics code is needed which can handle millions of degrees of freedom in the model and produce results with quick turn around time. A parallel code is needed to avoid limitations of serial platforms. Salinas is an implicit structural dynamics code specifically designed for massively parallel platforms. It computes the structural response of very large complex structures and provides solutions faster than any existing serial machine. This paper gives a current status of Salinas and uses demonstration problems to show Salinas' performance.

A completely foundry compatible chip-scale package for surface micromachines has been successfully demonstrated. A pyrex (Corning 7740) glass cover is placed over the released surface micromachined die and anodically bonded to a planarized polysilicon bonding ring. Electrical feedthroughs for the surface micromachine pass underneath the polysilicon sealing ring. The package has been found to be hermetic with a leak rate of less than 5 x 10{sup {minus}8} atm cm{sup {minus}3}/s. This technology has applications in the areas of hermetic encapsulation and wafer level release and die separation.

Resonance Tunneling Diodes (RTDs) are devices that can demonstrate very high-speed operation. Typically they have been fabricated using epitaxial techniques and materials not consistent with standard commercial integrated circuits. The authors report here the first demonstration of SiO{sub 2}-Si-SiO{sub 2} RTDs. These new structures were fabricated using novel combinations of silicon integrated circuit processes.

The authors have investigated the formation of 2-D and 3-D superlattices of Au nanoclusters synthesized in nonionic inverse micelles, and capped with alkyl thiol ligands, with alkane chains ranging from C{sub 6} to C1{sub 18}. The thiols are found to play a significant role in the ripening of these nanoclusters, and in the formation of superlattices. Image processing techniques were developed to reliably extract from transmission electron micrographs (TEMs) the particle size distribution, and information about the superlattice domains and their boundaries. The latter permits one to compute the intradomain vector pair correlation function, from which one can accurately determine the lattice spacing and the coherent domain size. From these data the gap between the particles in the coherent domains can be determined as a function of the thiol chain length. It is found that as the thiol chain length increases, the nanoclusters become more polydisperse and larger, and the gaps between particles within superlattice domains increases. Annealing studies at elevated temperatures confirm nanocluster ripening. Finally, the effect of the particle gaps on physical properties is illustrated by computing the effective dielectric constant, and it is shown that the gap size now accessible in superlattices is rather large for dielectric applications.

In PKM Machines, the Cartesian position and orientation of the tool point carried on the platform is obtained from a kinematic model of the particular machine. Accurate positioning of these machines relies on the accurate knowledge of the parameters of the kinematic model unique to the particular machine. The parameters in the kinematic model include the spatial locations of the joint centers on the machine base and moving platform, the initial strut lengths, and the strut displacements. The strut displacements are readily obtained from sensors on the machine. However, the remaining kinematic parameters (joint center locations, and initial strut lengths) are difficult to determine when these machines are in their fully assembled state. The size and complexity of these machines generally makes it difficult and somewhat undesirable to determine the remaining kinematic parameters by direct inspection such as in a coordinate measuring machine. In order for PKMs to be useful for precision positioning applications, techniques must be developed to quickly calibrate the machine by determining the kinematic parameters without disassembly of the machine. A number of authors have reported techniques for calibration of PKMs (Soons, Masory, Zhuang et. al., Ropponen). In two other papers, the authors have reported on work recently completed by the University of Florida and Sandia National Laboratories on calibration of PKMs, which describes a new technique to sequentially determine the kinematic parameters of an assembled parallel kinematic device. The technique described is intended to be used with a spatial coordinate measuring device such as a portable articulated CMM measuring arm (Romer, Faro, etc.), a Laser Ball Bar (LBB), or a laser tracker (SMX< API, etc.). The material to be presented is as follows: (1) methods to identify the kinematic parameters of 6--6 variant Stewart platform manipulators including joint center locations relative to the workable and spindle nose, and initial strut lengths, (2) and example of the application of the method, and (3) results from the application of the technique.

A new sample preparation procedure has been developed for digestion of soil samples for uranium analysis. The technique employs a microwave oven digestion system to digest the sample and to prepare it for separation chemistry and analysis. The method significantly reduces the volume of acids used, eliminates a large fraction of acid vapor emissions, and speeds up the analysis time. The samples are analyzed by four separate techniques: Gamma Spectrometry, Alpha Spectroscopy using the open digestion method, Kinetic Phosphorescence Analysis (KPA) using open digestion, and KPA by Microwave digestion technique. The results for various analytical methods are compared and used to confirm the validity of the new procedure. The details of the preparation technique along with its benefits are discussed.

Disilaoxacyclopentanes have proven to be excellent precursors to sol-gel type materials. These materials have shown promise as precursors for encapsulation and microelectronics applications. The polymers are highly crosslinked and are structurally similar to traditional sol-gels, but unlike typical sol-gels they are prepared without the use of solvents and water, they have low VOC's and show little shrinkage during processing.

A lattice-Monte Carlo approach was developed to simulate ferroelectric domain behavior. The model utilizes a Hamiltonian for the total energy that includes electrostatic terms (involving dipole-dipole interactions, local polarization gradients, and applied electric field), and elastic strain energy. The contributions of these energy components to the domain structure and to the overall applied field response of the system were examined. In general, the model exhibited domain structure characteristics consistent with those observed in a tetragonally distorted ferroelectric. Good qualitative agreement between the appearance of simulated electrical hysteresis loops and those characteristic of real ferroelectric materials was found.

In a previous study of tangent site chains near a surface, the inhomogeneous density profiles were found through Density Functional theory. In the current study, the surface tensions of these systems are found from the results of the previous study through a thermodynamic integration. The calculated surface tensions are then compared to those found directly through computer simulation. Both the surface tension and surface excess for polymeric systems are shown to qualitatively differ from those of atomic systems, although certain similarities are seen at high densities.

This paper characterizes the homotopy properties and the global topology of the space of positions of vehicles which are constrained to travel without intersecting on a network of paths. The space is determined by the number of vehicles and the network. Paths in the space correspond to simultaneous non-intersecting motions of all vehicles. The authors therefore focus on computing the homotopy type of the space, and show how to do so in the general case. Understanding the homotopy type of the space is the central issue in controlling the vehicles, as it gives a complete description of the distinct ways that vehicles may move safely on the network. The authors exhibit graphs, products of graphs, and amalgamations of products of graphs that are homotopy equivalent to the full configuration space, and are far simpler than might be expected. The results indicate how a control system for such a network of vehicles (such as a fleet of automatically guided vehicles guided by wires buried in a factory floor) may be implemented.

Front-end sampling or preconcentration is an important analytical technique and will be crucial to the success of many microanalytical detector systems. This paper describes a microfabricated planar preconcentrator ideal for integration with microanalytical systems. The device incorporates a surfactant templated sol gel adsorbent layer deposited on a microhotplate to achieve efficient analyte collection, and rapid, efficient thermal desorption. Concentration factors of 100--500 for dimethyl methyl phosphonate (DMMP) have been achieved with this device, while selectivities to interfering compounds greater than a factor of 25 have been demonstrated. Device performance will be compared with conventional preconcentrators, and the effects of system flow rate, flow channel geometry and collection time will be presented. A physical model of adsorption/desorption from the device will be reviewed and compared with experiment, while numerical simulation of flow over the device will be described.

An important application of seismic and acoustic unattended ground sensors (UGS) is the estimation of the three dimensional position of an emitting target. Seismic and acoustic data derived from UGS systems provide the taw information to determine these locations, but can be processed and analyzed in a number of ways using varying amounts of auxiliary information. Processing methods to improve arrival time picking for continuous wave sources and methods for determining and defining the seismic velocity model are the primary variables affecting the localization accuracy. Results using field data collected from an underground facility have shown that using an iterative time picking technique significantly improves the accuracy of the resulting derived target location. Other processing techniques show little advantage over simple crosscorrelation along in terms of accuracy, but may improve the ease with which time picks can be made. An average velocity model found through passive listening or a velocity model determined from a calibration source near the target source both result in similar location accuracies, although the use of station correction severely increases the location error.

Abstract not provided.

Based on general arguments presented in this report, nuclear criticality was eliminated from performance assessment calculations for the Waste Isolation Pilot Plant (WIPP), a repository for waste contaminated with transuranic (TRU) radioisotopes, located in southeastern New Mexico. At the WIPP, the probability of criticality within the repository is low because mechanisms to concentrate the fissile radioisotopes dispersed throughout the waste are absent. In addition, following an inadvertent human intrusion into the repository (an event that must be considered because of safety regulations), the probability of nuclear criticality away from the repository is low because (1) the amount of fissile mass transported over 10,000 yr is predicted to be small, (2) often there are insufficient spaces in the advective pore space (e.g., macroscopic fractures) to provide sufficient thickness for precipitation of fissile material, and (3) there is no credible mechanism to counteract the natural tendency of the material to disperse during transport and instead concentrate fissile material in a small enough volume for it to form a critical concentration. Furthermore, before a criticality would have the potential to affect human health after closure of the repository--assuming that a criticality could occur--it would have to either (1) degrade the ability of the disposal system to contain nuclear waste or (2) produce significantly more radioisotopes than originally present. Neither of these situations can occur at the WIPP; thus, the consequences of a criticality are also low.

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To promote cooperation in South Asia on environmental research, an international working group comprised of participants from Bangladesh, India, Nepal, Pakistan, Sri Lanka, and the US convened at the Soaltee Hotel in Kathmandu, Nepal, September 12 to 14, 1999. The workshop was sponsored in part by the Cooperative Monitoring Center (CMC) at Sandia National Laboratories in Albuquerque, New Mexico, through funding provided by the Department of Energy (DOE) Office of Nonproliferation and National Security. The CMC promotes collaborations among scientists and researchers in regions throughout the world as a means of achieving common regional security objectives. In the long term, the workshop organizers and participants are interested in the significance of regional information sharing as a means to build confidence and reduce conflict. The intermediate interests of the group focus on activities that might eventually foster regional management of some aspects of water resources utilization. The immediate purpose of the workshop was to begin the implementation phase of a project to collect and share water quality information at a number of river and coastal estuary locations throughout the region. The workshop participants achieved four objectives: (1) gaining a better understanding of the partner organizations involved; (2) garnering the support of existing regional organizations promoting environmental cooperation in South Asia; (3) identifying sites within the region at which data is to be collected; and (4) instituting a data and information collection and sharing process.

The availability of polysilicon feedstock has become a major issue for the photovoltaic (PV) industry in recent years. Most of the current polysilicon feedstock is derived from rejected material from the semiconductor industry. However, the reject material can become scarce and more expensive during periods of expansion in the integrated-circuit industry. Continued rapid expansion of the PV crystalline-silicon industry will eventually require a dedicated supply of polysilicon feedstock to produce solar cells at lower costs. The photovoltaic industry can accept a lower purity polysilicon feedstock (solar-grade) compared to the semiconductor industry. The purity requirements and potential production techniques for solar-grade polysilicon have been reviewed. One interesting process from previous research involves reactive gas blowing of the molten silicon charge. As an example, Dosaj et all reported a reduction of metal and boron impurities from silicon melts using reactive gas blowing with 0{sub 2} and Cl{sub 2}. The same authors later reassessed their data and the literature, and concluded that Cl{sub 2}and 0{sub 2}/Cl{sub 2} gas blowing are only effective for removing Al, Ca, and Mg from the silicon melt. Researchers from Kawasaki Steel Corp. reported removal of B and C from silicon melts using reactive gas blowing with an 0{sub 2}/Ar plasma torch. Processes that purify the silicon melt are believed to be potentially much lower cost compared to present production methods that purify gas species.

This report documents the development of constitutive material models for the overburden formations, reservoir formations, and underlying strata at the Lost Hills oil field located about 45 miles northwest of Bakersfield in Kern County, California. Triaxial rock mechanics tests were performed on specimens prepared from cores recovered from the Lost Hills field, and included measurements of axial and radial stresses and strains under different load paths. The tested intervals comprise diatomaceous sands of the Etchegoin Formation and several diatomite types of the Belridge Diatomite Member of the Monterey Formation, including cycles both above and below the diagenetic phase boundary between opal-A and opal-CT. The laboratory data are used to drive constitutive parameters for the Extended Sandler-Rubin (ESR) cap model that is implemented in Sandia's structural mechanics finite element code JAS3D. Available data in the literature are also used to derive ESR shear failure parameters for overburden formations. The material models are being used in large-scale three-dimensional geomechanical simulations of the reservoir behavior during primary and secondary recovery.

Abstract not provided.

The authors used micro-Raman spectroscopy to monitor the ferroelectric (FE) to antiferroelectric (AFE) phase transition in PZT ceramic bars during the application of uniaxial stress. They designed and constructed a simple loading device, which can apply sufficient uniaxial force to transform reasonably large ceramic bars while being small enough to fit on the mechanical stage of the microscope used for Raman analysis. Raman spectra of individual grains in ceramic PZT bars were obtained as the stress on the bar was increased in increments. At the same time gauges attached to the PZT bar recorded axial and lateral strains induced by the applied stress. The Raman spectra were used to calculate an FE coordinate, which is related to the fraction of FE phase present. The authors present data showing changes in the FE coordinates of individual PZT grains and correlate these changes to stress-strain data, which plot the macroscopic evolution of the FE-to-AFE transformation. Their data indicates that the FE-to-AFE transformation does not occur simultaneously for all PZT grains but that grains react individually to local conditions.

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Under this effort, a new method for studying the single event upset (SEU) in microelectronics has been developed and demonstrated. Called TRIBICC, for Time Resolved Ion Beam Induced Charge Collection, this technique measures the transient charge-collection waveform from a single heavy-ion strike with a {minus}.03db bandwidth of 5 GHz. Bandwidth can be expanded up to 15 GHz (with 5 ps sampling windows) by using an FFT-based off-line waveform renormalization technique developed at Sandia. The theoretical time resolution of the digitized waveform is 24 ps with data re-normalization and 70 ps without re-normalization. To preserve the high bandwidth from IC to the digitizing oscilloscope, individual test structures are assembled in custom high-frequency fixtures. A leading-edge digitized waveform is stored with the corresponding ion beam position at each point in a two-dimensional raster scan. The resulting data cube contains a spatial charge distribution map of up to 4,096 traces of charge (Q) collected as a function of time. These two dimensional traces of Q(t) can cover a period as short as 5 ns with up to 1,024 points per trace. This tool overcomes limitations observed in previous multi-shot techniques due to the displacement damage effects of multiple ion strikes that changed the signal of interest during its measurement. This system is the first demonstration of a single-ion transient measurement capability coupled with spatial mapping of fast transients.

Hemispherical reflectance and internal quantum efficiency measurements have been employed to evaluate the response of Si nanostructured surfaces formed by using random and periodic reactive ion etching techniques. Random RIE-textured surfaces have demonstrated solar weighted reflectance of {approx} 3% over 300--1,200-nm spectral range even without the benefit of anti-reflection films. Random RIE-texturing has been found to be applicable over large areas ({approximately} 180 cm{sup 2}) of both single and multicrystalline Si surfaces. Due to the surface contamination and plasma-induced damage, RIE-textured surfaces did not initially provide increased short circuit current as expected from the enhanced absorption. Improved processing combined with wet-chemical damage removal etches resulted in significant improvement in the short circuit current with IQEs comparable to the random, wet-chemically textured surfaces. An interesting feature of the RIE-textured surfaces was their superior performance in the near IR spectral range. The response of RIE-textured periodic surfaces can be broadly classified into three distinct regimes. One-dimensional grating structures with triangular profiles are characterized by exceptionally low, polarization-independent reflective behavior. The reflectance response of such surfaces is similar to a graded-index anti-reflection film. The IQE response from these surfaces is severely degraded in the UV-Visible spectral region due to plasma-induced surface damage. One-dimensional grating structures with rectangular profiles exhibit spectrally selective absorptive behavior with somewhat similar IQE response. The third type of grating structure combines broadband anti-reflection behavior with significant IQE enhancement in 800--1,200-nm spectral region. The hemispherical reflectance of these 2D grating structures is comparable to random RIE-textured surfaces. The IQE enhancement in the long wavelength spectral region can be attributed to increased coupling into obliquely propagating transmitted diffracted orders inside the Si substrate. Random RIE texturing techniques are expected to find widespread commercial applicability in low-cost, large-area multicrystalline Si solar cells. Grating-texturing techniques are expected to find applications in thin-film and space solar cells.

A study of the drift in Pd/Ni alloy hydrogen sensitive resistor and transistor responses is presented. The sensors were monitored for a period of 6 months in a reducing atmosphere of 0.1% H{sub 2} in N{sub 2} with periodic calibration exposures. A comparison of a resistor film with an adhesion layer showed considerable improvement in diminishing the drift.

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Computational materials simulations have traditionally focused on individual phenomena: grain growth, crack propagation, plastic flow, etc. However, real materials behavior results from a complex interplay between phenomena. In this project, the authors explored methods for coupling mesoscale simulations of microstructural evolution and micromechanical response. In one case, massively parallel (MP) simulations for grain evolution and microcracking in alumina stronglink materials were dynamically coupled. In the other, codes for domain coarsening and plastic deformation in CuSi braze alloys were iteratively linked. this program provided the first comparison of two promising ways to integrate mesoscale computer codes. Coupled microstructural/micromechanical codes were applied to experimentally observed microstructures for the first time. In addition to the coupled codes, this project developed a suite of new computational capabilities (PARGRAIN, GLAD, OOF, MPM, polycrystal plasticity, front tracking). The problem of plasticity length scale in continuum calculations was recognized and a solution strategy was developed. The simulations were experimentally validated on stockpile materials.

Grating light reflection spectroscopy (GLRS) is an emerging technique for spectroscopic analysis and sensing. A transmission diffraction grating is placed in contact with the sample to be analyzed, and an incident light beam is directed onto the grating. At certain angles of incidence, some of the diffracted orders are transformed from traveling waves to evanescent waves. This occurs at a specific wavelength that is a function of the grating period and the complex index of refraction of the sample. The intensities of diffracted orders are also dependent on the sample's complex index of refraction. The authors describe the use of GLRS, in combination with electrochemical modulation of the grating, for the detection of trace amounts of aromatic hydrocarbons. The diffraction grating consisted of chromium lines on a fused silica substrate. The depth of the grating lines was 1 {micro}m, the grating period was 1 {micro}m, and the duty cycle was 50%. Since chromium was not suitable for electrochemical modulation of the analyte concentration, a 200 nm gold layer was deposited over the entire grating. This gold layer slightly degraded the transmission of the grating, but provided satisfactory optical transparency for the spectroelectrochemical experiments. The grating was configured as the working electrode in an electrochemical cell containing water plus trace amounts of the aromatic hydrocarbon analytes. The grating was then electrochemically modulated via cyclic voltammetry waveforms, and the normalized intensity of the zero order reflection was simultaneously measured. The authors discuss the lower limits of detection (LLD) for two analytes, 7-dimethylamino-1,2-benzophenoxazine (Meldola's Blue dye) and 2,4,6-trinitrotoluene (TNT), probed with an incident HeNe laser beam ({lambda} = 543.5 nm) at an incident angle of 52.5{degree}. The LLD for 7-dimethylamino-1,2-benzophenoxazine is approximately 50 parts per billion (ppb), while the LLD for TNT is approximately 50 parts per million (ppm). The possible factors contributing to the differences in LLD for these analytes are discussed. This is the final report for a Sandia National Laboratories Laboratory Directed Research and Development (LDRD) project conducted during fiscal years 1998 and 1999 (case number 3518.190).

This case study provides examples of how some simple decisions the authors made in structuring their algorithms for handling cell-centered data can dramatically influence the results. Although they all know that these decisions produce variations in results, they think that they underestimate the potential magnitude of the differences. More importantly, the users of the codes may not be aware that these choices have been made or what they mean to the resulting visualizations of their data. This raises the question of whether or not these decisions are inadvertently distorting user interpretations of data sets.

During the last 20 years there has been a tremendous increase in computational capabilities. It seems to accelerate every year. Models are now constructed with millions of degrees of freedom. Sandia National Laboratories recently computed modes and transient response for a 4,000,000 degree of freedom model. There is also an increase in the cost of testing as the unit price of test items increases and manpower costs escalate. One is reminded of Augustine's Laws, ``Simple systems are not feasible because they require infinite testing.'' Or conversely, extremely complex systems require no testing. In his discussion he uses data from actual systems to show how increasing complexity of systems appears to require less testing. A hundred dollar item required several thousand developments tests, where a ten million dollar item required a few tens of development tests. Of course, this results from the large increase in test costs caused in large part by the large cost of the test hardware that comes with increasing complexity. The complex system (costly) is coupled with the perceived need to reduce nonessential costs. At Sandia National Laboratories they are also faced with the prospect that some of the tests they ran in the past are not even feasible to run today.

The hazard model described in this paper is designed to accept data over the Internet from distributed databases. A hazard object template is used to ensure that all necessary descriptors are collected for each object. Three methods for combining the data are compared and contrasted. Three methods are used for handling the three types of interactions between the hazard objects.

The authors report and analyze the results of numerical studies of dense granular flows in two and three dimensions, using both linear damped springs and Hertzian force laws between particles. Chute flow generically produces a constant density profile that satisfies scaling relations suggestive of a Bagnold grain inertia regime. The type for force law has little impact on the behavior of the system. Failure is not initiated at the surface, consistent with the absence of surface flows and different principal stress directions at vs. below the surface.

US infrastructures provide essential services that support the economic prosperity and quality of life. Today, the latest threat to these infrastructures is the increasing complexity and interconnectedness of the system. On balance, added connectivity will improve economic efficiency; however, increased coupling could also result in situations where a disturbance in an isolated infrastructure unexpectedly cascades across diverse infrastructures. An understanding of the behavior of complex systems can be critical to understanding and predicting infrastructure responses to unexpected perturbation. Sandia National Laboratories has developed an agent-based model of critical US infrastructures using time-dependent Monte Carlo methods and a genetic algorithm learning classifier system to control decision making. The model is currently under development and contains agents that represent the several areas within the interconnected infrastructures, including electric power and fuel supply. Previous work shows that agent-based simulations models have the potential to improve the accuracy of complex system forecasting and to provide new insights into the factors that are the primary drivers of emergent behaviors in interdependent systems. Simulation results can be examined both computationally and analytically, offering new ways of theorizing about the impact of perturbations to an infrastructure network.

This presentation covers the process of commissioning a new 150,000 sq. ft. research facility at Sandia National Laboratories. The laboratory being constructed is a showcase of modern design methods being built at a construction cost of less than $180 per sq. ft. This is possible in part because of the total commissioning activities that are being utilized for this project. The laboratory's unique approach to commissioning will be presented in this paper. The process will be followed through from the conceptual stage on into the actual construction portion of the laboratory. Lessons learned and cost effectiveness will be presented in a manner that will be usable for others making commissioning related decisions. Commissioning activities at every stage of the design will be presented along with the attributed benefits. Attendees will hear answers to the what, when, who, and why questions associated with commissioning of this exciting project.

In the current study, the generality of the key underpinnings of the Stochastic Finite Element (SFEM) method is exploited in a nonlinear shock and vibration application where parametric uncertainty enters through random variables with probabilistic descriptions assumed to be known. The system output is represented as a vector containing Shock Response Spectrum (SRS) data at a predetermined number of frequency points. In contrast to many reliability-based methods, the goal of the current approach is to provide a means to address more general (vector) output entities, to provide this output as a random process, and to assess characteristics of the response which allow one to avoid issues of statistical dependence among its vector components.

This is the second paper of a two part series based on an integrated study carried out at the State University of New York at Stony Brook and Sandia National Laboratories. The goal of the study is the fundamental understanding of the plasma-particle interaction, droplet/substrate interaction, deposit formation dynamics and microstructure development as well as the deposit property. The outcome is science-based relationships, which can be used to link processing to performance. Molybdenum splats and coatings produced at 3 plasma conditions and three substrate temperatures were characterized. It was found that there is a strong mechanical/thermal interaction between droplet and substrate, which builds up the coatings/substrate adhesion. Hardness, thermal conductivity, and modulus increase, while oxygen content and porosity decrease with increasing particle velocity. Increasing deposition temperature resulted in dramatic improvement in coating thermal conductivity and hardness as well as increase in coating oxygen content. Indentation reveals improved fracture resistance for the coatings prepared at higher deposition temperature. Residual stress was significantly affected by deposition temperature, although not significant by particle energy within the investigated parameter range. Coatings prepared at high deposition temperature with high-energy particles suffered considerably less damage in wear tests. Possible mechanisms behind these changes are discussed within the context of relational maps which are under development.

The von Mises stress is often used as the metric for evaluating design margins, particularly for structures made of ductile materials. While computing the von Mises stress distribution in a structural system due to a deterministic load condition may be straightforward, difficulties arise when considering random vibration environments. As a result, alternate methods are used in practice. One such method involves resolving the random vibration environment to an equivalent static load. This technique, however, is only appropriate for a very small class of problems and can easily be used incorrectly. Monte Carlo sampling of numerical realizations that reproduce the second order statistics of the input is another method used to address this problem. This technique proves computationally inefficient and provides no insight as to the character of the distribution of von Mises stress. This tutorial describes a new methodology to investigate the design reliability of structural systems in a random vibration environment. The method provides analytic expressions for root mean square (RMS) von Mises stress and for the probability distributions of von Mises stress which can be evaluated efficiently and with good numerical precision. Further, this new approach has the important advantage of providing the asymptotic properties of the probability distribution. A brief overview of the theoretical development of the methodology is presented, followed by detailed instructions on how to implement the technique on engineering applications. As an example, the method is applied to a complex finite element model of a Global Positioning Satellite (GPS) system. This tutorial presents an efficient and accurate methodology for correctly applying the von Mises stress criterion to complex computational models. The von Mises criterion is the traditional method for determination of structural reliability issues in industry.

Experiments are presented in which electrical-impedance tomography (EIT) and gamma-densitometry tomography (GDT) measurements were combined to simultaneously measure the solid, liquid, and gas radial distributions in a vertical three-phase flow. The experimental testbed was a 19.05-cm diameter bubble column in which gas is injected at the bottom and exits out the top while the liquid and solid phases recirculate. The gas phase was air and the liquid phase was deionized water with added electrolytes. Four different particle classes were investigated for the solid phase: 40--100 {micro}m and 120--200 {micro}m glass beads (2.41 g/cm{sup 3}), and 170--260 {micro}m and 200--700 {micro}m polystyrene beads (1.04 g/cm{sup 3}). Superficial gas velocities of 3 to 30 cm/s and solid volume fractions up to 0.30 were examined. For all experimental conditions investigated, the gas distribution showed only a weak dependence on both particle size and density. Average gas volume fraction as a function of superficial gas velocity can be described to within {+-} 0.04 by curve passing through the center of the data. For most cases the solid particle appeared to be radically uniformly dispersed in the liquid.

This paper focuses on fully automated analysis of failure event data in the concept and early development stage of a semiconductor-manufacturing tool. In addition to presenting a wide range of statistical and machine-specific performance information, algorithms have been developed to examine reliability growth and to identify major contributors to unreliability. These capabilities are being implemented in a new software package called Reliadigm. When coupled with additional input regarding repair times and parts availability, the analysis software also provides spare parts inventory optimization based on genetic optimization methods. The type of question to be answered is: If this tool were placed with a customer for beta testing, what would be the optimal spares kit to meet equipment reliability goals for the lowest cost? The new algorithms are implemented in Windows{reg_sign} software and are easy to apply. This paper presents a preliminary analysis of failure event data from three IDEA machines currently in development. The paper also includes an optimal spare parts kit analysis.

As described in contribution AF99-0335, it is interesting that new security services and mechanisms are allowed to be negotiated during a connection in progress. To do that, new ''negotiation OAM cells'' dedicated to security should be defined, as well as some acknowledgment cells allowing negotiation OAM cells to be exchanged reliably. Remarks which were given at the New Orleans meeting regarding those cell formats are taken into account. This contribution presents some baseline text describing the format of the negotiation and acknowledgment cells, and the using of those cells. All the modifications brought to the specifications are reversible using the Word tools.

This paper demonstrates the use of appropriate consequence evaluation criteria in conjunction with generic likelihood of occurrence data to produce consistent hazard analysis results for nonreactor nuclear facility Safety Analysis Reports (SAR). An additional objective is to demonstrate the use of generic likelihood of occurrence data as a means for deriving defendable accident sequence frequencies, thereby enabling the screening of potentially incredible events (<10{sup {minus}6} per year) from the design basis accident envelope. Generic likelihood of occurrence data has been used successfully in performing SAR hazard and accident analyses for two nonreactor nuclear facilities at Sandia National Laboratories. DOE-STD-3009-94 addresses and even encourages use of a qualitative binning technique for deriving and ranking nonreactor nuclear facility risks. However, qualitative techniques invariably lead to reviewer requests for more details associated with consequence or likelihood of occurrence bin assignments in the test of the SAR. Hazard analysis data displayed in simple worksheet format generally elicits questions about not only the assumptions behind the data, but also the quantitative bases for the assumptions themselves (engineering judgment may not be considered sufficient by some reviewers). This is especially true where the criteria for qualitative binning of likelihood of occurrence involves numerical ranges. Oftentimes reviewers want to see calculations or at least a discussion of event frequencies or failure probabilities to support likelihood of occurrence bin assignments. This may become a significant point of contention for events that have been binned as incredible. This paper will show how the use of readily available generic data can avoid many of the reviewer questions that will inevitably arise from strictly qualitative analyses, while not significantly increasing the overall burden on the analyst.

Growth of InAs/AlAs short-period superlattices on appropriately miscut (001) InP substrates is shown to alter the microstructure of composition modulation from a 2D organization of short compositionally enriched wires to a single dominant modulation direction and wire lengths up to {approximately}1 {micro}m. The effects of miscut are interpreted in terms of surface step orientation and character. The material is strongly modulated and exhibits intense optical emission. The 1D modulations appear potentially useful for new devices that take advantage of the preferred direction formed in the growth plane.

The atomic process, kinetics, and equilibrium thermodynamics underlying the gettering of transition-metal impurities in Si are reviewed from a mechanistic perspective. Methods for mathematical modeling of gettering are reviewed and illustrated. Needs for further research are discussed.

Because of their strong internal bonding, S-decorated Cu trimers are a likely agent of S-enhanced Cu transport between islands on Cu(111). According to ab-initio calculations, excellent healing of dangling Cu valence results in an ad-Cu{sub 3}S{sub 3} formation energy of only {approximately}0.28 eV, compared to 0.79 eV for a self-adsorbed Cu atom, and a diffusion barrier {le}0.35 eV.

{sup 1}H NMR studies of the protonation of highly nonplanar porphyrins with strong acids reveal the presence of the previously elusive monocation, and show that its stability can be related to the amount of saddle distortion induced by protonation; the amount of saddle distortion for a porphyrin dication is also found to correlate well with the rate of intermolecular proton transfer.

Copper in Si is shown to be strongly gettered by Al-rich precipitates formed by implanting Al to supersaturation and followed by annealing. At temperatures ranging from 600 to 800 C a layer containing Al precipitates is found to getter Cu from Cu silicide located on the opposite side of a 0.25-mm Si wafer, indicating a substantially lower chemical potential for the Cu in the molten-A1 phase. Cu gettering proceeds rapidly until an atomic ratio of approximately 2 Cu atoms to 1 Al atom is reached in the precipitated Al region, after which the gettering process slows. Redistribution of Cu from one Al-rich layer to another at low Cu concentrations demonstrates that a segregation-type gettering mechanism is operating. Cu gettering occurs primarily in the region containing the precipitated Al rather than the region where the Al is entirely substitutional.

The maximum power achieved in a wide variety of high-power devices, including electron and ion diodes, z pinches, and microwave generators, is presently limited by anode-cathode gap breakdown. A frequently-discussed hypothesis for this effect is ionization of fast neutral atoms injected throughout the anode-cathode gap during the power pulse. The authors describe a newly-developed diagnostic tool that provides the first direct test of this hypothesis. Time-resolved vacuum-ultraviolet absorption spectroscopy is used to directly probe fast neutral atoms with 1 mm spatial resolution in the 10 mm anode-cathode gap of the SABRE 5 MV, 1 TW applied-B ion diode. Absorption spectra collected during Ar RF glow discharges and with CO{sub 2} gas fills confirm the reliability of the diagnostic technique. Throughout the 50--100 ns ion diode pulses no measurable neutral absorption is seen, setting upper limits of 0.12--1.5 x 10{sup 14} cm{sup {minus}3} for ground state fast neutral atom densities of H, C, N, O, F. The absence of molecular absorption bands also sets upper limits of 0.16--1.2 x 10{sup 15} cm{sup {minus}3} for common simple molecules. These limits are low enough to rule out ionization throughout the gap as a breakdown mechanism. This technique can now be applied to quantify the role of neutral atoms in other high-power devices.

The Demand Activated Manufacturing Architecture (DAMA) project during the last five years of work with the U.S. Integrated Textile Complex (retail, apparel, textile, and fiber sectors) has developed an inter-enterprise supply chain collaboration development methodology. The goal of this methodology is to enable a supply chain to work more efficiently and competitively. The outcomes of this methodology include: (1) A definitive description and evaluation of the role of business cultures and supporting business organizational structures in either inhibiting or fostering change to a more competitive supply chain; (2) ``As-Is'' and proposed ``To-Be'' supply chain business process models focusing on information flows and decision-making; and (3) Software tools that enable and support a transition to a more competitive supply chain, which results form a business driven rather than technologically driven approach to software design. This methodology development will continue in FY00 as DAMA engages companies in the soft goods industry in supply chain research and implementation of supply chain collaboration.

The authors have investigated the properties of GaAsSb/InGaAs type-II bilayer quantum well structures grown by molecule beam epitaxy for use in long-wavelength lasers on GaAs substrates. Structures with layer, strains and thicknesses designed to be thermodynamically stable against dislocation formation exhibit room-temperature photoluminescence at wavelengths as long as 1.43 {mu}m. The photoluminescence emission wavelength is significantly affected by growth temperature and the sequence of layer growth (InGaAs/GaAsSb vs GaAsSb/InGaAs), suggesting that Sb and/or In segregation results in non-ideal interfaces under certain growth conditions. At low injection currents, double heterostructure lasers with GaAsSb/InGaAs bilayer quantum well active regions display electroluminescence at wavelengths comparable to those obtained in photoluminescence, but at higher currents the electroluminescence shifts to shorter wavelengths. Lasers have been obtained with threshold current densities as low as 120 A/cm{sup 2} at 1.17 {mu}m, and 2.1 kA/cm{sup 2} at 1.21 {mu}m.

The simple formula, {l_angle}P{sub r}{r_angle}=(E{sub o}{sup 2}/{eta})({lambda}{sup 2}/8{pi}), for the received power of an antenna with a matched load in an over-moded cavity actually holds for an antenna of any shape and size. This can be seen from the close connection between the correlation tensor of the cavity field at two different points and the imaginary part of the free-space dyadic Green's function.

An array of ultrasonic transducers was constructed consisting of three identical arrays at various depths in an air intake shaft at the Waste Isolation Pilot Plant (WIPP). Each array consists of transducers permanently installed in three holes arranged in an L shape. An active array, created by appropriate arrangement of the transducers and selection of transmitter-receiver pairs, allows the measurement of transmitted signal velocities and amplitudes (for attenuation studies) along 216 paths parallel, perpendicular and tangential to the shaft walls. Transducer positions were carefully surveyed, allowing absolute velocity measurements. Installation occurred over a period of about two years beginning in early 1989, with nearly continuous operation since that time, resulting in a rare, if not unique, record of the spatial and temporal variability of damage development around an underground opening. This paper reports results from the last two years of operation, updating the results reported by Holcomb, 1999. Results will be related to the damage, due to microcracking, required to produce the observed changes. It is expected that the results will be useful to other studies of the long-term deformation characteristics of salt.

Compaction bands are thin, tabular zones of grain breakage and reduced porosity that are found in sandstones. These structures may form due to tectonic stresses or as a result of local stresses induced during production of fluids from wells, resulting in barriers to fluid (oil, gas, water) movement in sandstone reservoirs. To gain insight into the formation of compaction bands the authors have produced them in the laboratory. Acoustic emission locations were used to define and track the thickness of compaction bands throughout the stress history during axisymmetric compression experiments. Narrow zones of intense acoustic emission, demarcating the boundaries between the uncompacted and compacted regions were found to develop. Unexpectedly, these boundaries moved at velocities related to the fractional porosity reduction across the boundary and to the imposed specimen compression stress. This appears to be a previously unrecognized, fundamental mode of deformation of a porous, granular material subjected to compressive loading with significant implications for the production of hydrocarbons.

The Intelligent Systems and Robotics Center of Sandia National laboratories has an ongoing research program in advanced user interfaces. As part of this research, promising new transduction devices, particularly hands-free devices, are being explored for the control of mobile and floor-mounted robotic systems. Brainwave control has been successfully demonstrated by other researchers in a variety of fields. In the research described here, Sandia developed and demonstrated a proof-of-concept brainwave-controlled mobile robot system. Preliminary results were encouraging. Additional work required to turn this into a reliable. fieldable system for mobile robotic control is identified. Used in conjunction with other controls, brainwave control could be an effective control method in certain circumstances.

Sensitivity/uncertainty analyses are not commonly performed on complex, finite-element engineering models because the analyses are time consuming, CPU intensive, nontrivial exercises that can lead to deceptive results. To illustrate these ideas, an analytical sensitivity/uncertainty analysis is used to determine the standard deviation and the primary factors affecting the burn velocity of polyurethane foam exposed to firelike radiative boundary conditions. The complex, finite element model has 25 input parameters that include chemistry, polymer structure, and thermophysical properties. The response variable was selected as the steady-state burn velocity calculated as the derivative of the burn front location versus time. The standard deviation of the burn velocity was determined by taking numerical derivatives of the response variable with respect to each of the 25 input parameters. Since the response variable is also a derivative, the standard deviation is essentially determined from a second derivative that is extremely sensitive to numerical noise. To minimize the numerical noise, 50-micron elements and approximately 1-msec time steps were required to obtain stable uncertainty results. The primary effect variable was shown to be the emissivity of the foam.

Uranium and its fission product Tc in aerobic environment will be in the forms of UO{sub 2}{sup 2+} and TcO{sub 4}{sup {minus}}. Reduced forms of tetravalent U and Tc are sparingly soluble. As determined by transmission electron microscopy, the reduction of uranyl acetate by immobilized cells of Desulfovibrio desulfuricans results in the production of black uraninite nanocrystals precipitated outside the cell. Some nanocrystals are associated with outer membranes of the cell as revealed from cross sections of these metabolic active sulfate-reducing bacteria. The nanocrystals have an average diameter of 5 nm and have anhedral shape. The reduction of Re{sup 7+} by cells of Desulfovibrio desulfuricans is fast in media containing H{sub 2} an electron donor, and slow in media containing lactic acid. It is proposed that the cytochrome in these cells has an important role in the reduction of uranyl and Re{sup 7+} is (a chemical analogue for Tc{sup 7+}) through transferring an electron from molecular hydrogen or lactic acid to the oxyions of UO{sub 2}{sup 2+} and TcO{sub 4}{sup {minus}}.

The Demand Activated Manufacturing Architecture (DAMA) project during the last five years of work with the U.S. Integrated Textile Complex (retail, apparel, textile, and fiber sectors) has developed an inter-enterprise architecture and collaborative model for supply chains. This model will enable improved collaborative business across any supply chain. The DAMA Model for Supply Chain Collaboration is a high-level model for collaboration to achieve Demand Activated Manufacturing. The five major elements of the architecture to support collaboration are (1) activity or process, (2) information, (3) application, (4) data, and (5) infrastructure. These five elements are tied to the application of the DAMA architecture to three phases of collaboration - prepare, pilot, and scale. There are six collaborative activities that may be employed in this model: (1) Develop Business Planning Agreements, (2) Define Products, (3) Forecast and Plan Capacity Commitments, (4) Schedule Product and Product Delivery, (5) Expedite Production and Delivery Exceptions, and (6) Populate Supply Chain Utility. The Supply Chain Utility is a set of applications implemented to support collaborative product definition, forecast visibility, planning, scheduling, and execution. The DAMA architecture and model will be presented along with the process for implementing this DAMA model.

In order to discuss the connection between security issues within the Department of Energy and records management, the author covers a bit of security history and talks about what she calls ``the Amazing Project''. Initiated in late May 1999, it was to be a tri-laboratory (Lawrence Livermore National Laboratory of Livermore, California, Los Alamos National Laboratory of Los Alamos, New Mexico, and Sandia National Laboratories of Albuquerque, New Mexico, and Livermore, California) project. The team that formed was tasked to develop the best set of security solutions that still enabled weapon mission work to get done and the security solutions were to be the same set for everyone. The amazing project was called ''The Integrated Security Management Project'', or ''ISecM' for short. She'll describe why she thinks this project was so amazing and what it accomplished. There's a bit of sad news about the project, but then she'll move onto discuss what was learned at Sandia as a result of the project and what they're currently doing in records management.

A drift-diffusion transport model has been used to examine the performance capabilities of AlGaN/GaN Npn heterojunction bipolar transistors (HBTs). The Gummel plot from the first GaN-based HBT structure recently demonstrated is adjusted with simulation by using experimental mobility and lifetime reported in the literature. Numerical results have been explored to study the effect of the p-type Mg doping and its incomplete ionization in the base. The high base resistance induced by the deep acceptor level is found to be the cause of limiting current gain values. Increasing the operating temperature of the device activates more carriers in the base. An improvement of the simulated current gain by a factor of 2 to 4 between 25 and 300 C agrees well with the reported experimental results. A preliminary analysis of high frequency characteristics indicates substantial progress of predicted rf performances by operating the device at higher temperature due to a reduced extrinsic base resistivity.

Abstract not provided.

A four-channel surface acoustic wave (SAW) chemical sensor array with associated RF electronics is monolithically integrated onto one GaAs IC. The sensor operates at 690 MHz from an on-chip SAW based oscillator and provides simple DC voltage outputs by using integrated phase detectors. This sensor array represents a significant advance in microsensor technology offering miniaturization, increased chemical selectivity, simplified system assembly, improved sensitivity, and inherent temperature compensation.

The fate of six volatile organic compounds (VOC) in a 150-meter deep vadose zone was examined in support of a RCRA Corrective Measures Study of the Chemical Waste Landfill at Sandia National Laboratories, Albuquerque, New Mexico. The study focused on the modeling of potential future transport of the VOCs to exposure media upon the completion of two separate voluntary corrective measures--soil vapor extraction and landfill excavation--designed to significantly reduce contaminant levels in subsurface soils. modeling was performed with R-UNSAT, a finite-difference simulator that was developed by the U.S. Geological Survey. R-UNSAT facilitated a relatively unique and comprehensive assessment of vapor transport because it (1) simulated the simultaneous movement of all six VOCs, taking into account each constituent's diffusion coefficient as affected by its mole fraction within a mixture of chemicals, and (2) permitted simultaneous assessment of risk to human health via volatilization (air) and drinking water (groundwater) pathways. Modeling results suggested that monitored natural attenuation would represent a viable remedial alternative at the landfill after both voluntary corrective measures were completed.

A project to develop non-intrusive active sensors that can be applied on existing aging aerospace structures for monitoring the onset and progress of structural damage (fatigue cracks and corrosion) is presented. The state of the art in active sensors structural health monitoring and damage detection is reviewed. Methods based on (a) elastic wave propagation and (b) electro-mechanical (NM) impedance technique are sighted and briefly discussed. The instrumentation of these specimens with piezoelectric active sensors is illustrated. The main detection strategies (E/M impedance for local area detection and wave propagation for wide area interrogation) are discussed. The signal processing and damage interpretation algorithms are tuned to the specific structural interrogation method used. In the high-frequency EIM impedance approach, pattern recognition methods are used to compare impedance signatures taken at various time intervals and to identify damage presence and progression from the change in these signatures. In the wave propagation approach, the acoustic-ultrasonic methods identifying additional reflection generated from the damage site and changes in transmission velocity and phase are used. Both approaches benefit from the use of artificial intelligence neural networks algorithms that can extract damage features based on a learning process. Design and fabrication of a set of structural specimens representative of aging aerospace structures is presented. Three built-up specimens, (pristine, with cracks, and with corrosion damage) are used. The specimen instrumentation with active sensors fabricated at the University of South Carolina is illustrated. Preliminary results obtained with the E/M impedance method on pristine and cracked specimens are presented.

VICTORIA 2.0 is a mechanistic computer code designed to analyze fission product behavior within the reactor coolant system (RCS) during a severe nuclear reactor accident. It provides detailed predictions of the release of radioactive and nonradioactive materials from the reactor core and transport and deposition of these materials within the RCS and secondary circuits. These predictions account for the chemical and aerosol processes that affect radionuclide behavior. VICTORIA 2.0 was released in early 1999; a new version VICTORIA 2.1, is now under development. The largest improvements in VICTORIA 2.1 are connected with the thermochemical database, which is being revised and expanded following the recommendations of a peer review. Three risk-significant severe accident sequences have recently been investigated using the VICTORIA 2.0 code. The focus here is on how various chemistry options affect the predictions. Additionally, the VICTORIA predictions are compared with ones made using the MELCOR code. The three sequences are a station blackout in a GE BWR and steam generator tube rupture (SGTR) and pump-seal LOCA sequences in a 3-loop Westinghouse PWR. These sequences cover a range of system pressures, from fully depressurized to full system pressure. The chief results of this study are the fission product fractions that are retained in the core, RCS, secondary, and containment and the fractions that are released into the environment.

The authors reconceptualize macro modified invasion percolation (MMIP) at the near pore (NP) scale and apply it to simulate the non-wetting phase invasion experiments of Glass et al [in review] conducted in macro-heterogeneous porous media. For experiments where viscous forces were non-negligible, they redefine the total pore filling pressure to include viscous losses within the invading phase as well as the viscous influence to decrease randomness imposed by capillary forces at the front. NP-MMIP exhibits the complex invasion order seen experimentally with characteristic alternations between periods of gravity stabilized and destabilized invasion growth controlled by capillary barriers. The breaching of these barriers and subsequent pore scale fingering of the non-wetting phase is represented extremely well as is the saturation field evolution, and total volume invaded.

Surfactant-enhanced aquifer remediation is an emerging technology for aquifers contaminated with nonaqueous phase liquids (NAPLs). A two-dimensional micromodel and image capture system were applied to observe NAPL mobilization and solubilization phenomena. In each experiment, a common residual NAPL field was established, followed by a series of mobilization and solubilization experiments. Mobilization floods included pure water floods with variable flow rates and surfactant floods with variations in surfactant formulations. At relatively low capillary numbers (N{sub ca}<10{sup {minus}3}), the surfactant mobilization floods resulted in higher NAPL saturations than for the pure water flood, for similar N{sub ca}.These differences in macroscopic saturations are explained by differences in micro-scale mobilization processes. Solubilization of the residual NAPL remaining after the mobilization stage was dominated by the formation of dissolution fingers, which produced nonequilibrium NAPL solubilization. A macroemulsion phase also as observed to form spontaneously and persist during the solubilization stage of the experiments.

The authors consider the ability of the numerical solution of Richards equation to model gravity-driven fingers. Although gravity-driven fingers can be easily simulated using a partial downwind averaging method, they find the fingers are purely artificial, generated by the combined effects of truncation error induced oscillations and capillary hysteresis. Since Richards equation can only yield a monotonic solution for standard constitutive relations and constant flux boundary conditions, it is not the valid governing equation to model gravity-driven fingers, and therefore is also suspect for unsaturated flow in initially dry, highly nonlinear, and hysteretic media where these fingers occur. However, analysis of truncation error at the wetting front for the partial downwind method suggests the required mathematical behavior of a more comprehensive and physically based modeling approach for this region of parameter space.

The {gamma}-irradiated-oxidation of pentacontane (C{sub 50}H{sub 102}) and the polymer polyisoprene was investigated as a function of oxidation level using {sup 17}O nuclear magnetic resonance (NMR) spectroscopy. It is demonstrated that by using {sup 17}O labeled O{sub 2} gas during the {gamma}-irradiation process, details about the oxidative degradation mechanisms can be directly obtained from the analysis of the {sup 17}O NMR spectra. Production of carboxylic acids is the primary oxygen-containing functionality during the oxidation of pentacontane, while ethers and alcohols are the dominant oxidation product observed for polyisoprene. The formation of ester species during the oxidation process is very minor for both materials, with water also being produced in significant amounts during the radiolytic oxidation of polyisoprene. The ability to focus on the oxidative component of the degradation process using {sup 17}O NMR spectroscopy demonstrates the selectivity of this technique over more conventional approaches.

This paper focuses on a ten-element strategy for streamlining the NEPA process in order to achieve the Act's objectives while easing the considerable burden on agencies, the public, and the judicial system. In other words, this paper proposes a strategy for making NEPA work better and cost less. How these ten elements are timed and implemented is critical to any successful streamlining. The strategy elements discussed in this paper, in no particular order of priority, are as follows: (1) integrate the NEPA process with other environmental compliance and review procedures; (2) accelerate the decision time for determining the appropriate level of NEPA documentation; (3) conduct early and thorough internal EIS (or EA) scoping before public scoping or other public participation begins; (4) organize and implement public scoping processes that are more participatory than confrontational; (5) maintain an up-to-date compendium of environmental baseline information; (6) prepare more comprehensive, broad-scope umbrella EISs that can be used effectively for tiering; (7) encourage preparation of annotated outlines with detailed guidance that serve as a road map for preparation of each EIS or EA; (8) decrease the length and complexity of highly technical portions of NEPA documents; (9) increase and systematize NEPA compliance outreach, training, and organizational support; and (10) work diligently to influence the preparation of better organized, shorter, and more readable NEPA documents.

Sandia National Laboratories has been developing technologies to support person-to-person collaboration and the efforts of teams in the business and research communities. The technologies developed include knowledge-based design advisors, knowledge management systems, and streamlined manufacturing supply chains. These collaborative environments in which people can work together sharing information and knowledge have required a new approach to software development. The approach includes an emphasis on the requisite change in business practice that often inhibits user acceptance of collaborative technology. Leveraging the experience from this work, they have established a multidisciplinary approach for developing collaborative software environments. They call this approach ``A Holistic Software Development Methodology''.

First principles density-functional slab calculations are used to study 5 {angstrom} (two O-layer) Al{sub 2}O{sub 3} films on Ru(0001) and Al(111). Using larger unit cells than in a recent study, it is found that the lowest energy stable film has an even mix of tetrahedral (t) and octahedral (o) site Al ions, and thus most closely resembles the {kappa}-phase of bulk alumina. Here, alternating zig-zag rows of t and o occur within the surface plane, resulting in a greater average lateral separation of the Al-ions than with pure t or o. A second structure with an even mix of t and o has also been found, consisting of alternating stripes. These patterns mix easily, can exist in three equivalent directions on basal substrates, and can also be displaced laterally, suggesting a mechanism for a loss of long-range order in the Al-sublattice. While the latter would cause the film to appear amorphous in diffraction experiments, local coordination and film density are little affected. On a film supported by rigid Ru(0001), overlayers of Cu, Pd, and Pt bind similarly as on bulk truncated {alpha}-Al{sub 2}O{sub 3}(0001). However, when the film is supported by soft Al(111), the adhesion of Cu, Pd, and Pt metal overlayers is significantly increased: Oxide-surface Al atoms rise so only they contact the overlayer, while substrate Al metal atoms migrate into the oxide film. Thus the binding energy of metal overlayers is strongly substrate dependent, and these numbers for the above Pd-overlayer systems bracket a recent experimentally derived value for a film on NiAl(110).

A novel porphyrin-based receptor molecule for chiral amine ligands is described in which nonplanarity of the porphyrin macrocycle is used to orient the ligand and to enhance porphyrin-ligand interactions. The porphyrin macrocycle provides a versatile platform upon which to build elaborate superstructures, and this feature coupled with a rich and well-developed synthetic chemistry has led to the synthesis of many elegant models of heme protein active sites and numerous porphyrin-based receptor molecules. One design feature which is not usually considered in the design of porphyrin-based receptor molecules is nonplanarity of the porphyrin ring, although there are a few systems such as the pyridine sensitive Venus Flytrap and the chirality-memory molecule which illustrate that nonplanar porphyrin-based receptors can display unique and interesting behavior. Given the novel properties of these receptors and the continuing interest in the effects of nonplanarity on the properties of porphyrins the authors decided to investigate in more detail the potential applications of nonplanarity in the design of porphyrin-based receptors. Herein, they describe the design, synthesis, and characterization of a new kind of nonplanar porphyrin-based receptor molecule for chiral amines.

The new perhalogenated porphyrin 2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetrakis(trifluoromethyl)porphinato-nickel(II) exhibits several striking features, including an extremely ruffled macrocycle with a very short Ni-N distance, an unusually red-shifted optical spectrum, and, surprisingly, hindered rotation of the meso-trifluoromethyl substituents ({Delta}G{sub 278}{sup +} = 47 kJ/mol).

Interferometric SAR (IFSAR) can be shown to be a special case of 3-D SAR image formation. In fact, traditional IFSAR processing results in the equivalent of merely a super-resolved, under-sampled, 3-D SAR image. However, when approached as a 3-D SAR problem, a number of IFSAR properties and anomalies are easily explained. For example, IFSAR decorrelation with height is merely ordinary migration in 3-D SAR. Consequently, treating IFSAR as a 3-D SAR problem allows insight and development of proper motion compensation techniques and image formation operations to facilitate optimal height estimation. Furthermore, multiple antenna phase centers and baselines are easily incorporated into this formulation, providing essentially a sparse array in the elevation dimension. This paper shows the Polar Format image formation algorithm extended to 3 dimensions, and then proceeds to apply it to the IFSAR collection geometry. This suggests a more optimal reordering of the traditional IFSAR processing steps.

The longevity of high gain GaAs photoconductive semiconductor switches (PCSS) has been extended to over 100 million pulses at 23A, and over 100 pulses at 1kA. This is achieved by improving the ohmic contacts by doping the semi-insulating GaAs underneath the metal, and by achieving a more uniform distribution of contact wear across the entire switch by distributing the trigger light to form multiple filaments. This paper will compare various approaches to doping the contacts, including ion implantation, thermal diffusion, and epitaxial growth. The device characterization also includes examination of the filament behavior using open-shutter, infra-red imaging during high gain switching. These techniques provide information on the filament carrier densities as well as the influence that the different contact structures and trigger light distributions have on the distribution of the current in the devices. This information is guiding the continuing refinement of contact structures and geometries for further improvements in switch longevity.

The relationship between the nature and spatial distribution of fundamental interfacial interactions and fracture stress/fracture toughness of a glassy adhesive-inorganic solid joint is not understood. This relationship is important from the standpoint of designing interfacial chemistry sufficient to provide the level of mechanical strength required for a particular application. In addition, it is also important for understanding the effects of surface contamination. Different types of contamination, or different levels of contamination, likely impact joint strength in different ways. Furthermore, the relationship is also important from the standpoint of aging. If interfacial chemical bonds scission over time due to the presence of a contaminant such as water, or exposure to UV, etc, the relationship between joint strength/fracture toughness and interface strength is important for predicting reliability with time. A fundamental understanding of the relationship between joint strength and fundamental interfacial interactions will give insight into these issues.

The focus of this work is the structure within highly crosslinked, two component epoxy films. The authors examine variations in crosslink density within thin epoxy films on silicon substrates by solvent swelling. The method is based on the fact that the equilibrium volume fraction of a swelling solvent is strongly dependent upon the local crosslink density. The authors examine the volume fraction profile of the good solvent nitrobenzene through the epoxy films by neutron reflection. Isotopic substitution is used to provide contrast between the epoxy matrix and the swelling solvent.

Phase I of Boeing Company/DOE Dish Engine Critical Component (DECC) Project started in April of 1998 and was completed in 1999. The Phase I objectives, schedule, and test results are presented in this paper. These data shows the power, energy, and mirror performance are comparable to that when the hardware was first manufactured 15 years ago. During the Phase I and initial Phase II test period the on-sun system accumulated over 3,800 hours of solar-powered operating time, accumulated over 4,500 hours of concentrator solar tracking time, and generated over 50,000 kWh of grid-compatible electrical energy. The data also shows that the system was available 95 {percent} of the time when the sun's insolation level was above approximately 300 w/m{sup 2}, and achieved a daily energy efficiency between 20{percent} and 26{percent}. A second concentrator was refurbished during Phase I and accumulated over 2,200 hours of solar track time. A second Stirling engine operated 24 hours a day in a test cell in Sweden and accumulated over 6,000 test hours. Discussion of daily operation shows no major problems encountered during the testing that would prevent commercialization of the technology. Further analysis of the test data shows that system servicing with hydrogen, coolant and lubricating oil should not be a major O and M cost.

Solar Two, a 10MWe power tower plant in Barstow, California, successfully demonstrated the production of grid electricity at utility-scale with a molten-salt solar power tower. This paper provides an overview of the project, from inception in 1993 to closure in the spring of 1999. Included are discussions of the goals of the Solar Two consortium, the planned-vs.-actual timeline, plant performance, problems encountered, and highlights and successes of the project. The paper concludes with a number of key results of the Solar Two test and evaluation program.

The Intelligent Systems and Robotics Center (ISRC) at Sandia National Laboratories (SNL) is developing technologies for glovebox size reduction in the DOE nuclear complex. A study was performed for Kaiser-Hill (KH) at the Rocky Flats Environmental Technology Site (RFETS) on the available technologies for size reducing the glovebox lines that require size reduction in place. Currently, the baseline approach to these glovebox lines is manual operations using conventional mechanical cutting methods. The study has been completed and resulted in a concept of the robotic system for in-situ size reduction. The concept makes use of commercially available robots that are used in the automotive industry. The commercially available industrial robots provide high reliability and availability that are required for environmental remediation in the DOE complex. Additionally, the costs of commercial robots are about one-fourth that of the custom made robots for environmental remediation. The reason for the lower costs and the higher reliability is that there are thousands of commercial robots made annually, whereas there are only a few custom robots made for environmental remediation every year. This paper will describe the engineering analysis approach used in the design of the robotic system for glovebox size reduction.

Solar power towers, based on molten salt technology, have been the subject of extensive research and development since the late 1970s. In the mid 1980s, small experimental plants were successfully fielded in the USA and France that demonstrated the feasibility of the concept at a 1 to 2 MW{sub e} scale. Systems analyses indicate this technology will be cost competitive with coal-fired power plants after scaling-up plant size to the 100 to 200 MW{sub e} range. To help bridge the scale-up gap, a 10 MW{sub e} demonstration project known as Solar Two, was successfully operated in California, USA from 1996 to 1999. The next logical step could be to scale-up further and develop a 30 MW{sub e} project within the country of Mexico. The plant could be built by an IPP industrial consortium consisting of USA's Boeing and Bechtel Corporations, combined with Mexican industrial and financial partners. Plausible technical and financial characteristics of such a ``Solar-Two-type'' Mexican project are discussed in this paper.

Sandia National Laboratories has developed a computer based model called IVSEM (Integrated Verification System Evaluation Model) to estimate the performance of a nuclear detonation monitoring system. The IVSEM project was initiated in June 1994, by Sandia's Monitoring Systems and Technology Center and has been funded by the U.S. Department of Energy's Office of Nonproliferation and National Security (DOE/NN). IVSEM is a simple, ''top-level,'' modeling tool which estimates the performance of a Comprehensive Nuclear Test Ban Treaty (CTBT) monitoring system and can help explore the impact of various sensor system concepts and technology advancements on CTBT monitoring. One of IVSEM's unique features is that it integrates results from the various CTBT sensor technologies (seismic, in sound, radionuclide, and hydroacoustic) and allows the user to investigate synergy among the technologies. Specifically, IVSEM estimates the detection effectiveness (probability of detection), location accuracy, and identification capability of the integrated system and of each technology subsystem individually. The model attempts to accurately estimate the monitoring system's performance at medium interfaces (air-land, air-water) and for some evasive testing methods such as seismic decoupling. The original IVSEM report, CTBT Integrated Verification System Evaluation Model, SAND97-25 18, described version 1.2 of IVSEM. This report describes the changes made to IVSEM version 1.2 and the addition of identification capability estimates that have been incorporated into IVSEM version 2.0.

Radionuclide transport in soils and groundwaters is routinely calculated in performance assessment (PA) codes using simplified conceptual models for radionuclide sorption, such as the K{sub D} approach for linear and reversible sorption. Model inaccuracies are typically addressed by adding layers of conservativeness (e.g., very low K{sub D}'s), and often result in failed transport predictions or substantial increases in site cleanup costs. Realistic assessments of radionuclide transport over a wide range of environmental conditions can proceed only from accurate, mechanistic models of the sorption process. They have focused on the sorption mechanisms and partition coefficients for Cs{sup +}, Sr{sup 2+} and Ba{sup 2+} (analogue for Ra{sup 2+}) onto iron oxides and clay minerals using an integrated approach that includes computer simulations, sorption/desorption measurements, and synchrotron analyses of metal sorbed substrates under geochemically realistic conditions. Sorption of Ba{sup 2+} and Sr{sup 2+} onto smectite is strong, pH-independent, and fully reversible, suggesting that cation exchange at the interlayer basal sites controls the sorption process. Sr{sup 2+} sorbs weakly onto geothite and quartz, and is pH-dependent. Sr{sup 2+} sorption onto a mixture of smectite and goethite, however, is pH- and concentration dependent. The adsorption capacity of montmorillonite is higher than that of goethite, which may be attributed to the high specific surface area and reaction site density of clays. The presence of goethite also appears to control the extent of metal desorption. In-situ, extended X-ray absorption fine structure (EXAFS) spectroscopic measurements for montmorillonite and goethite show that the first shell of adsorbed Ba{sup 2+} is coordinated by 6 oxygens. The second adsorption shell, however, varies with the mineral surface coverage of adsorbed Ba{sup 2+} and the mineral substrate. This suggests that Ba{sup 2+} adsorption on mineral surfaces involves more than one mechanism and that the stability of sorbed complexes will be affected by substrate composition. Molecular modeling of Ba{sup 2+} sorption on goethite and Cs{sup +} sorption on kaolinite surfaces were performed using molecular dynamics techniques with improved Lennard-Jones interatomic potentials under periodic boundary conditions. Ba{sup 2+} was observed to have a preference for inner sphere sorption onto goethite, with the (101) and (110) surfaces representing the controlling sorption surfaces for bulk K{sub D} measurements. Large-scale simulations of Cs{sup +} sorption on kaolinite (1000's of atoms) provide a statistical basis for the theoretical evaluation and prediction of Cs{sup +} K{sub D} values. Results suggest the formation of a strong inner sphere complex for Cs{sup +} on the kaolinite edge surfaces and a weakly bound outer sphere complex on the hydroxyl basal surface.