Publications

Abstract not provided.

Control of the synthesis of nanomaterials to produce morphologies exhibiting quantized properties will enable device integration of several novel applications including biosensors, catalysis, and optical devices. In this work, solvothermal routes to produce zinc oxide nanorods are explored. Much previous work has relied on the addition of growth directing/inhibiting agents to control morphology. It was found in coarsening studies that zinc oxide nanodots will ripen to nanorod morphologies at temperatures of 90 to 120°C. The resulting nanorods have widths of 9-12 nm average dimension, which is smaller than current methods for nanorod synthesis. Use of nanodots as nuclei may be an approach that will allow for controlled growth of higher aspect ratio nanorods. © 2005 Materials Research Society.

In this paper we describe a data analysis toolkit constructed to meet the needs of data discovery in large scale spatio-temporal data. The toolkit is a C library of building blocks that can be assembled into data analyses. Our goals were to build a toolkit which is easy to use, is applicable to a wide variety of science domains, supports feature-based analysis, and minimizes low-level processing. The discussion centers on the design of a data model and interface that best supports these goals and we present three usage examples. © Springer-Verlag Berlin Heidelberg 2005.

Face recognition systems require the ability to efficiently scan an existing database of faces to locate a match for a newly acquired face. The large number of faces in real world databases makes computationally intensive algorithms impractical for scanning entire databases. We propose the use of more efficient algorithms to “prescreen” face databases, determining a limited set of likely matches that can be processed further to identify a match. We use both radial symmetry and shape to extract five features of interest on 3D range images of faces. These facial features determine a very small subset of discriminating points which serve as input to a prescreening algorithm based on a Hausdorff fraction. We show how to compute the Haudorff fraction in linear O(n) time using a range image representation. Our feature extraction and prescreening algorithms are verified using the FRGC v1.0 3D face scan data. Results show 97% of the extracted facial features are within 10 mm or less of manually marked ground truth, and the prescreener has a rank 6 recognition rate of 100%.

A variety of methods exist for the assembly of microscale devices. One such strategy uses microscale force-fit pin insertion to assemble LIGA parts together. One of the challenges associated with this strategy is the handling of small pins which are 170 microns in diameter and with lengths ranging from 500 to 1000 microns. In preparation for insertion, a vibratory micro-pin feeder has been used to successfully singulate and manipulate the pins into a pin storage magazine. This paper presents the development of a deterministic model, simulation tool, and methodology in order to identify and analyze key performance attributes of the vibratory micro-pin feeder system. A brief parametric study was conducted to identify the effects of changing certain system parameters on the bulk behavior of the system, namely the capture rate of the pins. Results showing trends have been obtained for a few specific cases. These results indicate that different system parameters can be chosen to yield better system performance. Copyright © 2005 by ASME.

The accurate quantification and control of mixture stoichiometry is critical in many applications using new combustion strategies and fuels (e.g., homogeneous charge compression ignition, gasoline direct injection, and oxygenated fuels). The parameter typically used to quantify mixture stoichiometry (i.e., the proximity of a reactant mixture to its stoichiometric condition) is the equivalence ratio, φ. The traditional definition of φ is based on the relative amounts of fuel and oxidizer molecules in a mixture. This definition provides an accurate measure of mixture stoichiometry when the fuel molecule does not contain oxidizer elements and when the oxidizer molecule does not contain fuel elements. However, the traditional definition of φ leads to problems when the fuel molecule contains an oxidizer element, as is the case when an oxygenated fuel is used, or once reactions have started and the fuel has begun to oxidize. The problems arise because an oxidizer element in a fuel molecule is counted as part of the fuel, even though it is an oxidizer element. Similarly, if an oxidizer molecule contains fuel elements, the fuel elements in the oxidizer molecule are misleadingly lumped in with the oxidizer in the traditional definition of φ. In either case, use of the traditional definition of φ to quantify the mixture stoichiometry can lead to significant errors. This paper introduces the oxygen equivalence ratio, φΩ, a parameter that properly characterizes the instantaneous mixture stoichiometry for a broader class of reactant mixtures than does φ. Because it is an instantaneous measure of mixture stoichiometry, φΩ can be used to track the time-evolution of stoichiometry as a reaction progresses. The relationship between φΩ and φ is shown. Errors are involved when the traditional definition of φ is used as a measure of mixture stoichiometry with fuels that contain oxidizer elements or oxidizers that contain fuel elements; φΩ is used to quantify these errors. Proper usage of φΩ is discussed, and φΩ is used to interpret results in a practical example. Copyright © 2005 SAE International.

Proposed Supplement 1 to the GUM outlines a "propagation of distributions " approach to deriving the distribution of a measurandfor any non-linear function and for any set of random inputs. The Supplement 's proposed Monte Carlo approach assumes that the distributions of the random inputs are known exactly. This implies that the sample sizes are effectively infinite. In this case the mean of the measurand can be determined precisely using a large number of Monte Carlo simulations. In practice, however, the distributions of the inputs will rarely be known exactly, but must be estimated using possibly small samples. If these approximated distributions are treated as exact, the uncertainty in estimating the mean is not properly taken into account. In this paper we propose a two-stage Monte Carlo procedure that explicitly takes into account the finite sample sizes used to estimate parameters of the input distributions. We will illustrate the approach with a case study involving the efficiency of a thermistor mount power sensor. The performance of the proposed approach will be compared to the standard GUM approach for finite samples using simple non-linear measurement equations. We will investigate performance in terms of coverage probabilities of derived confidence intervals. © 2005 IEEE.

Optical engines are often skip-fired to maintain optical components at acceptable temperatures and to reduce window fouling. Although many different skip-fired sequences are possible, if exhaust emissions data are required, the skip-firing sequence ought to consist of a single fired cycle followed by a series of motored cycles (referred to here as singleton skip-firing). This paper compares a singleton skip-firing sequence with continuous firing at the same inlet conditions, and shows that combustion performance trends with equivalence ratio are similar. However, as expected, reactant temperatures are lower with skip-firing, resulting in retarded combustion phasing, and lower pressures and combustion efficiency. LIF practitioners often employ a homogeneous charge of known composition to create calibration images for converting raw signal to equivalence ratio. Homogeneous in-cylinder mixtures are typically obtained by premixing fuel and air upstream of the engine; however, premixing usually precludes skip-firing. Data are presented demonstrating that using continuously-fired operation to calibrate skip-fired data leads to over-prediction of local equivalence ratio. This is due to a combination of lower reactant temperatures for skip- versus continuous-fired operation, and a fluorescence yield that decreases with temperature. It is further demonstrated that early direct injection can be used as an alternative approach to provide calibration images. The influence of hardware modifications made to optical engines on performance is also examined. Copyright © 2005 SAE International.

Experiments were conducted in an optically accessible constant-volume combustion vessel to investigate soot formation at diesel combustion conditions in a high exhaust-gas recirculation (EGR) environment. The ambient oxygen concentration was decreased systematically from 21% to 8% to simulate a wide range of EGR conditions. Quantitative measurements of in-situ soot in quasi-steady n-heptane and #2 diesel fuel jets were made by using laser extinction and planar laser-induced incandescence (PLII) measurements. Flame lift-off length measurements were also made in support of the soot measurements. At constant ambient temperature, results show that the equivalence ratio estimated at the lift-off length does not vary with the use of EGR, implying an equal amount of fuel-air mixing prior to combustion. Soot measurements show that the soot volume fraction decreases with increasing EGR. The regions of soot formation are effectively "stretched out" to longer axial and radial distances from the injector with increasing EGR, according to the dilution in ambient oxygen. However, the axial soot distribution and location of maximum soot collapses if plotted in terms of a "flame coordinate", where the relative fuel-oxygen mixture is equivalent. The total soot in the jet cross-section at the maximum axial soot location initially increases and then decreases to zero as the oxygen concentration decreases from 21% to 8%. The trend is caused by competition between soot formation rates and increasing residence time. Soot formation rates decrease with decreasing oxygen concentration because of the lower combustion temperatures. At the same time, the residence time for soot formation increases, allowing more time for accumulation of soot. Increasing the ambient temperature above nominal diesel engine conditions leads to a rapid increase in soot for high-EGR conditions when compared to conditions with no EGR. This result emphasizes the importance of EGR cooling and its beneficial effect on mitigating soot formation. The effect of EGR is consistent for different fuels but soot levels depend on the sooting propensity of the fuel. Specifically, #2 diesel fuel produces soot levels more than ten times higher than those of n-heptane. Copyright © 2005 SAE International.

Many emerging large-scale data science applications require searching large graphs distributed across multiple memories and processors. This paper presents a distributed breadth-first search (BFS) scheme that scales for random graphs with up to three billion vertices and 30 billion edges. Scalability was tested on IBM BlueGene/L with 32,768 nodes at the Lawrence Livermore National Laboratory. Scalability was obtained through a series of optimizations, in particular, those that ensure scalable use of memory. We use 2D (edge) partitioning of the graph instead of conventional ID (vertex) partitioning to reduce communication overhead. For Poisson random graphs, we show that the expected size of the messages is scalable for both 2D and ID partitionings. Finally, we have developed efficient collective communication functions for the 3D torus architecture of BlueGene/L that also take advantage of the structure in the problem. The performance and characteristics of the algorithm are measured and reported. © 2005 IEEE.

Double-pulse laser-induced desorption with elastic laser scattering (LIDELS) is a diagnostic technique capable of making time-resolved, in situ measurements of the volatile fraction of diesel particulate matter (PM). The technique uses two laser pulses of comparable energy, separated in time by an interval sufficiently short to freeze the flow field, to measure the change in PM volume caused by laser-induced desorption of the volatile fraction. The first laser pulse of a pulse-pair produces elastic laser scattering (ELS) that gives the total PM volume, and also deposits the energy to desorb the volatiles. ELS from the second pulse gives the volume of the remaining solid portion of the PM, and the ratio of these two measurements is the quantitative solid volume fraction. In an earlier study, we used a single laser to make real-time LIDELS measurements during steady-state operation of a diesel engine. In this paper, we discuss the advantages and disadvantages of the two LIDELS techniques and present measurements made in real diesel exhaust and simulated diesel exhaust created by coating diffusion-flame soot with single-component hydrocarbons. Comparison with analysis of PM collected on quartz filters reveals that LIDELS considerably under-predicts the volatile fraction. We discuss reasons for this discrepancy and recommend future directions for LIDELS research. Copyright © 2005 SAE International.

Physical, chemical and biological properties are the ultimate information of interest for chemical compounds. Molecular descriptors that map structural information to activities and properties are obvious candidates for information sharing. In this paper, we consider the feasibility of using molecular descriptors to safely exchange chemical information in such a way that the original chemical structures cannot be reverse engineered. To investigate the safety of sharing such descriptors, we compute the degeneracy (the number of structure matching a descriptor value) of several 2D descriptors, and use various methods to search for and reverse engineer structures. We examine degeneracy in the entire chemical space taking descriptors values from the alkane isomer series and the PubChem database. We further use a stochastic search to retrieve structures matching specific topological index values. Finally, we investigate the safety of exchanging of fragmental descriptors using deterministic enumeration. © Springer 2005.

The fast and unrelenting spread of wireless telecommunication devices has changed the landscape of the telecommunication world, as we know it. Today we find that most users have access to both wireline and wireless communication devices. This widespread availability of alternate modes of communication is adding, on one hand, to a redundancy in networks, yet, on the other hand, has cross network impacts during overloads and disruptions. This being the case, it behooves network designers and service providers to understand how this redundancy works so that it can be better utilized in emergency conditions where the need for redundancy is critical. In this paper, we examine the scope of this redundancy as expressed by telecommunications availability to users under different failure scenarios. We quantify the interaction of wireline and wireless networks during network failures and traffic overloads. Developed as part of a Department of Homeland Security Infrastructure Protection (DHS IP) project, the Network Simulation Modeling and Analysis Research Tool (N-SMART) was used to perform this study. The product of close technical collaboration between the National Infrastructure Simulation and Analysis Center (NISAC) and Lucent Technologies, N-SMART supports detailed wireline and wireless network simulations and detailed user calling behavior.

The traditional, serial, algorithm for finding the strongly connected components in a graph is based on depth first search and has complexity which is linear in the size of the graph. Depth first search is difficult to parallelize, which creates a need for a different parallel algorithm for this problem. We describe the implementation of a recently proposed parallel algorithm that finds strongly connected components in distributed graphs, and discuss how it is used in a radiation transport solver. © 2005 Elsevier Inc. All rights reserved.

Shock Physics codes in use at many Department of Energy (DOE) and Department of Defense (DoD) laboratories can be divided into two classes; Lagrangian Codes (where the computational mesh is (attached' to the materials) and Eulerian Codes (where the computational mesh is (fixed' in space and die materials flow through the mesh). These two classes of codes exhibit different advantages and disadvantages. Lagrangian codes are good at keeping material interfaces well defined, but suffer when the materials undergo extreme distortion which leads to severe reductions in the time steps. Eulerian codes are better able to handle severe material distortion (since the mesh is fixed the time steps are not as severely reduced), but these codes do not keep track of material interfaces very well. So in an Eulerian code the developers must design algorithms to track or reconstruct accurate interfaces between materials as the calculation progresses. However, there are classes of calculations where an interface is not desired between some materials, for instance between materials that are intimately mixed (dusty air or multiphase materials). In these cases a material interface reconstruction scheme is needed that will keep this mixture separated from other materials in the calculation, but will maintain the mixture attributes. This paper will describe the Sandia National Laboratories Eulerian Shock Physics Code known as CTH, and the specialized isotropic material interface reconstruction scheme designed to keep mixed material groups together while keeping different groups separated during the remap step.

For over a decade, Sandia National Laboratories has collaborated with domestic and international partners in the development of intelligent Radio Frequency (RF) loop seals and sensor technologies for multiple applications. Working with US industry, the International Atomic Energy Agency and Russian institutes; the Sandia team continues to utilize gains in technology performance to develop and deploy increasingly sophisticated platforms. Seals of this type are typically used as item monitors to detect unauthorized actions and malicious attacks in storage and transportation applications. The spectrum of current seal technologies at Sandia National Laboratories ranges from Sandia's initial T-1 design incorporating bi-directional RF communication with a loop seal and tamper indicating components to the highly flexible Secure Sensor Platform (SSP). Sandia National Laboratories is currently pursuing the development of the next generation fiber optic loop seal. This new device is based upon the previously designed multi-mission electronic sensor and communication platform that launched the development of the T-1A which is currently in production at Honeywell FM&T for the Savannah River Site. The T-1A is configured as an active fiber optic seal with authenticated, bi-directional RF communications capable of supporting a number of sensors. The next generation fiber optic loop seal, the Secure Sensor Platform (SSP), is enhancing virtually all of the existing capabilities of the T-1A and is adding many new features and capabilities. The versatility of this new device allows the capabilities to be selected and tailored to best fit the specific application. This paper discusses the capabilities of this new generation fiber optic loop seal as well as the potential application theater which can range from rapid, remotely-monitored, temporary deployments to long-term item storage monitoring supporting International nuclear non-proliferation. This next generation technology suite addresses the combination of sealing requirements with requirements in unique materials' identification, environmental monitoring, and remote long-term secure communications. © 2005 IEEE.

In this overview we present a reactive multiphase flow model to describe the physical processes associated with enhanced blast. This model is incorporated into CTH, a shock physics code, using a variant of the Baer and Nunziato nonequilibrium multiphase mixture to describe shock-driven reactive flow including the effects of interphase mass exchange, particulate drag, heat transfer and secondary combustion of multiphase mixtures. This approach is applied to address the various aspects of the reactive behavior of enhanced blast including detonation and the subsequent expansion of reactive products. The latter stage of reactive explosion involves shock-driven multiphase flow that produces instabilities which are the prelude to the generation of turbulence and subsequent mixing of surrounding air to cause secondary combustion. Turbulent flow is modeled in the context of Large Eddy Simulation (LES) with the formalism of multiphase PDF theory including a mechanistic model of metal combustion. © 2005 WIT Press.

Sandia National Laboratories has partnered with industry on a multifaceted, baseline experimental study that supports the development of improved drag cutters for advanced drill bits. Different nonstandard cutter lots were produced and subjected to laboratory tests that evaluated the influence of selected design and processing parameters on cutter loads, wear, and durability pertinent to the penetration of hard rock with mechanical properties representative of formations encountered in geothermal or deep oil/gas drilling environments. The focus was on cutters incorporating ultrahard PDC (polycrystalline diamond compact) overlays (i.e., diamond tables) on tungsten-carbide substrates. Parameter variations included changes in cutter geometry, material composition, and processing conditions. Geometric variables were the diamond-table thickness, the cutting-edge profile, and the PDC/substrate interface configuration. Material and processing variables for the diamond table were, respectively, the diamond particle size and the sintering pressure applied during cutter fabrication. Complementary drop-impact, granite-log abrasion, linear cutting-force, and rotary-drilling tests examined the response of cutters from each lot. Substantial changes in behavior were observed from lot to lot, allowing the identification of features contributing major (factor of 10+) improvements in cutting performance for hard-rock applications. Recent field demonstrations highlight the advantages of employing enhanced cutter technology during challenging drilling operations.

The Specialty Metals Processing Consortium (SMPC) was established in 1990 with the goal of advancing the technology of melting and remelting nickel and titanium alloys. In recent years, the SMPC technical program has focused on developing technology to improve control over the final ingot remelting and solidification processes to alleviate conditions that lead to the formation of inclusions and positive and negative segregation. A primary objective is the development of advanced monitoring and control techniques for application to vacuum arc remelting (VAR), with special emphasis on VAR of Alloy 718. This has lead to the development of an accurate, low order electrode melting model for this alloy as well as an advanced process estimator that provides real-time estimates of important process variables such as electrode temperature distribution, instantaneous melt rate, process efficiency, fill ratio, and voltage bias. This, in turn, has enabled the development and industrial application of advanced VAR process monitoring and control systems. The technology is based on the simple idea that the set of variables describing the state of the process must be self-consistent as required by the dynamic process model. The output of the process estimator comprises the statistically optimal estimate of this self-consistent set. Process upsets such as those associated with glows and cracked electrodes are easily identified using estimator based methods.

Optical MEMS devices are commonly interfaced with lasers for communication, switching, or imaging applications. Dissipation of the absorbed energy in such devices is often limited by dimensional constraints which may lead to overheating and damage of the component. Surface micromachined, optically powered thermal actuators fabricated from two 2.25 μm thick polycrystalline silicon layers were irradiated with 808 nm continuous wave laser light with a 100 μm diameter spot under increasing power levels to assess their resistance to laser-induced damage. Damage occurred immediately after laser irradiation at laser powers above 275 mW and 295 mW for 150 urn diameter circular and 194 urn by 150 μm oval targets, respectively. At laser powers below these thresholds, the exposure time required to damage the actuators increased linearly and steeply as the incident laser power decreased. Increasing the area of the connections between the two polycrystalline silicon layers of the actuator target decreases the extent of the laser damage. Additionally, an optical thermal actuator target with 15 μm × 15 μm posts withstood 326 mW for over 16 minutes without exhibiting damage to the surface. Copyright © 2005 by ASME.

Optical firing sets need miniature, robust, reliable pulsed laser sources for a variety of triggering functions. In many cases, these lasers must withstand high transient radiation environments. In this paper we describe a monolithic passively Q-switched microlaser constructed using Cr:Nd:GSGG as the gain material and Cr4+:YAG as the saturable absorber, both of which are radiation hard crystals. This laser consists of a 1-mm-long piece of undoped YAG, a 7-mm-long piece of Cr:Nd:GSGG, and a 1.5-mm-long piece of Cr 4+:YAG diffusion bonded together. The ends of the assembly are polished flat and parallel and dielectric mirrors are coated directly on the ends to form a compact, rugged, monolithic laser. When end pumped with a diode laser emitting at ∼807.6 nm, this passively Q-switched laser produces ∼1.5-ns-wide pulses. While the unpumped flat-flat cavity is geometrically unstable, thermal lensing and gain guiding produce a stable cavity with a TEM00 gaussian output beam over a wide range of operating parameters. The output energy of the laser is scalable and dependent on the cross sectional area of the pump beam. This laser has produced Q-switched output energies from several μJ per pulse to several 100 μJ per pulse with excellent beam quality. Its short pulse length and good beam quality result in high peak power density required for many applications such as optically triggering sprytrons. In this paper we discuss the design, construction, and characterization of this monolithic laser as well as energy scaling of the laser up to several 100 μJ per pulse.

We report an automated on-chip clinical diagnostic that integrates analyte mixing, preconcentration, and subsequent detection using native polyacrylamide gel electrophoresis (PAGE) immunoanalysis. Sample proteins are concentrated > 100-fold with an in situ polymerized size exclusion membrane. The membrane also facilitates rapid mixing of reagents and sample prior to analysis. The integrated system was used to rapidly (minutes) detect immune-response markers in saliva acquired from periodontal diseased patients. Copyright © 2005 by the Transducer Research Foundation, Inc.

Micro mirrors have emerged as key components for optical microelectromechanical system (MEMS) applications. Electrostatic vertical comb drives are attractive because they can be fabricated underneath the mirror, allowing for arrays with a high fill factor. Also, vertical comb drives are more easily controlled than parallel plate actuators, making them the better choice for analog scanning devices. The device presented in this paper is a one-degree of freedom vertical comb drive fabricated using Sandia National Laboratories SUMMiT™ five-level surface micromachining process. The electrostatic performance of the device is investigated using finite element analysis to determine the capacitance for a unit cell of the comb drive as the position of the device is varied. This information is then used to design a progressive linkage that will seek to alleviate or eliminate the effects of instability. The goal of this research is to develop an electrostatic model for the behavior of the vertical comb drive mirror and then use this to design a progressive-linkage that can delay or eliminate the pull-in instability. Copyright © 2005 by ASME.

Abstract not provided.

High-power 18650 Li-ion cells have been developed for hybrid electric vehicle applications as part of the DOE FreedomCAR Advanced Technology Development (ATD) program. Cells have been developed for high-power, long-life, low-cost and abuse tolerance conditions. The thermal abuse response of advanced materials and cells were measured and compared. Cells were constructed for determination of abuse tolerance to determine the thermal runaway response and flammability of evolved gas products during venting. Advanced cathode and anode materials were evaluated for improved tolerance under abusive conditions. Calorimetric methods were used to measure the thermal response and properties of the cells and cell materials up to 450 °C. Improvements in thermal runaway response have been shown using combinations of these materials.

We report results from an investigation of the two-color polarization spectroscopy (TC-PS) and two-color six-wave mixing (TC-SWM) techniques for the measurement of atomic hydrogen in flames. The 243-nm two-photon pumping of 1S-2S transition of the H-atom was followed by single-photon probing of the 2S-3P transition at 656 nm. Necessary laser radiation was generated using two distributed feedback dye lasers (DFDLs) pumped by two regeneratively amplified, picosecond, Nd:YAG lasers. The DFDL pulses are nearly Fourier transform limited and have a pulse width of approximately 80 ps. The effects of pump and probe beam polarizations on the TC-PS and TC-SWM signals were studied in detail. The collisional dynamics of the H(2l) level were also investigated in an atmospheric-pressure hydrogenair flame by scanning the time delay between the pump and probe pulses. An increase in signal intensity of approximately 100 was observed in the TC-SWM geometry as compared to the TC-PS geometry.

Currently, pathologists rely on labor-intensive microscopic examination of tumor cells using century-old staining methods that can give false readings. Emerging BioMicroNano-technologies have the potential to provide accurate, realtime, high-throughput screening of tumor cells without the need for time-consuming sample preparation. These rapid, nano-optical techniques may play an important role in advancing early detection, diagnosis, and treatment of disease. In this report, we show that laser scanning confocal microscopy can be used to identify a previously unknown property of certain cancer cells that distinguishes them, with single-cell resolution, from closely related normal cells. This property is the correlation of light scattering and the spatial organization of mitochondria. In normal liver cells, mitochondria are highly organized within the cytoplasm and highly scattering, yielding a highly correlated signal. In cancer cells, mitochondria are more chaotically organized and poorly scattering. These differences correlate with important bioenergetic disturbances that are hallmarks of many types of cancer. In addition, we review recent work that exploits the new technology of nanolaser spectroscopy using the biocavity laser to characterize the unique spectral signatures of normal and transformed cells. These optical methods represent powerful new tools that hold promise for detecting cancer at an early stage and may help to limit delays in diagnosis and treatment. ©Adenine Press (2005).

Abstract not provided.

Ion mobility spectrometry (IMS) is recognized as one of the most sensitive and versatile techniques for the detection of trace levels of organic vapors. IMS is widely used for detecting contraband narcotics, explosives, toxic industrial compounds and chemical warfare agents. Increasing threat of terrorist attacks, the proliferation of narcotics, Chemical Weapons Convention treaty verification as well as humanitarian de-mining efforts has mandated that equal importance be placed on the analysis time as well as the quality of the analytical data. (1) IMS is unrivaled when both speed of response and sensitivity has to be considered. (2) With conventional (signal averaging) IMS systems the number of available ions contributing to the measured signal to less than 1%. Furthermore, the signal averaging process incorporates scan-to-scan variations decreasing resolution. With external second gate Fourier Transform ion mobility spectrometry (FT-IMS), the entrance gate frequency is variable and can be altered in conjunction with other data acquisition parameters to increase the spectral resolution. The FT-IMS entrance gate operates with a 50% duty cycle and so affords a 7 to 10-fold increase in sensitivity. Recent data on high explosives are presented to demonstrate the parametric optimization in sensitivity and resolution of our system.

This report summarizes the work performed as part of a one-year LDRD project, 'Evolutionary Complexity for Protection of Critical Assets.' A brief introduction is given to the topics of genetic algorithms and genetic programming, followed by a discussion of relevant results obtained during the project's research, and finally the conclusions drawn from those results. The focus is on using genetic programming to evolve solutions for relatively simple algebraic equations as a prototype application for evolving complexity in computer codes. The results were obtained using the lil-gp genetic program, a C code for evolving solutions to user-defined problems and functions. These results suggest that genetic programs are not well-suited to evolving complexity for critical asset protection because they cannot efficiently evolve solutions to complex problems, and introduce unacceptable performance penalties into solutions for simple ones.

The Sandia National Laboratories Corporate Mentor Program provides a mechanism for the development and retention of Sandia's people and knowledge. The relationships formed among staff members at different stages in their careers offer benefits to all. These relationships can provide experienced employees with new ideas and insight and give less experienced employees knowledge of Sandia's culture, strategies, and programmatic direction. The program volunteer coordinators are dedicated to the satisfaction of the participants, who come from every area of Sandia. Since its inception in 1995, the program has sustained steady growth and excellent customer satisfaction. This report summarizes the accomplishments, activities, enhancements, and evaluation data for the Corporate Mentor Program for the 2003/2004 program year ending May 1, 2004.

This SAND report provides the technical progress through June 2004 of the Sandia-led project, ''Carbon Sequestration in Synechococcus Sp.: From Molecular Machines to Hierarchical Modeling'', funded by the DOE Office of Science Genomes to Life Program. Understanding, predicting, and perhaps manipulating carbon fixation in the oceans has long been a major focus of biological oceanography and has more recently been of interest to a broader audience of scientists and policy makers. It is clear that the oceanic sinks and sources of CO{sub 2} are important terms in the global environmental response to anthropogenic atmospheric inputs of CO{sub 2} and that oceanic microorganisms play a key role in this response. However, the relationship between this global phenomenon and the biochemical mechanisms of carbon fixation in these microorganisms is poorly understood. In this project, we will investigate the carbon sequestration behavior of Synechococcus Sp., an abundant marine cyanobacteria known to be important to environmental responses to carbon dioxide levels, through experimental and computational methods. This project is a combined experimental and computational effort with emphasis on developing and applying new computational tools and methods. Our experimental effort will provide the biology and data to drive the computational efforts and include significant investment in developing new experimental methods for uncovering protein partners, characterizing protein complexes, identifying new binding domains. We will also develop and apply new data measurement and statistical methods for analyzing microarray experiments. Computational tools will be essential to our efforts to discover and characterize the function of the molecular machines of Synechococcus. To this end, molecular simulation methods will be coupled with knowledge discovery from diverse biological data sets for high-throughput discovery and characterization of protein-protein complexes. In addition, we will develop a set of novel capabilities for inference of regulatory pathways in microbial genomes across multiple sources of information through the integration of computational and experimental technologies. These capabilities will be applied to Synechococcus regulatory pathways to characterize their interaction map and identify component proteins in these pathways. We will also investigate methods for combining experimental and computational results with visualization and natural language tools to accelerate discovery of regulatory pathways. The ultimate goal of this effort is develop and apply new experimental and computational methods needed to generate a new level of understanding of how the Synechococcus genome affects carbon fixation at the global scale. Anticipated experimental and computational methods will provide ever-increasing insight about the individual elements and steps in the carbon fixation process, however relating an organism's genome to its cellular response in the presence of varying environments will require systems biology approaches. Thus a primary goal for this effort is to integrate the genomic data generated from experiments and lower level simulations with data from the existing body of literature into a whole cell model. We plan to accomplish this by developing and applying a set of tools for capturing the carbon fixation behavior of complex of Synechococcus at different levels of resolution. Finally, the explosion of data being produced by high-throughput experiments requires data analysis and models which are more computationally complex, more heterogeneous, and require coupling to ever increasing amounts of experimentally obtained data in varying formats. These challenges are unprecedented in high performance scientific computing and necessitate the development of a companion computational infrastructure to support this effort.

This manual describes the input syntax to the ALEGRA radiation transport package. All input and output variables are defined, as well as all algorithmic controls. This manual describes the radiation input syntax for ALEGRA-HEDP. The ALEGRA manual[2] describes how to run the code and general input syntax. The ALEGRA-HEDP manual[13] describes the input for other physics used in high energy density physics simulations, as well as the opacity models used by this radiation package. An emission model, which is the lowest order radiation transport approximation, is also described in the ALEGRA-HEDP manual. This document is meant to be used with these other manuals.

ALEGRA is an arbitrary Lagrangian-Eulerian finite element code that emphasizes large distortion and shock propagation in inviscid fluids and solids. This document describes user options for modeling resistive magnetohydrodynamic, thermal conduction, and radiation emission effects.

Mobile manipulator systems used by emergency response operators consist of an articulated robot arm, a remotely driven base, a collection of cameras, and a remote communications link. Typically the system is completely teleoperated, with the operator using live video feedback to monitor and assess the environment, plan task activities, and to conduct the operations via remote control input devices. The capabilities of these systems are limited, and operators rarely attempt sophisticated operations such as retrieving and utilizing tools, deploying sensors, or building up world models. This project has focused on methods to utilize this video information to enable monitored autonomous behaviors for the mobile manipulator system, with the goal of improving the overall effectiveness of the human/robot system. Work includes visual servoing, visual targeting, utilization of embedded video in 3-D models, and improved methods of camera utilization and calibration.

Treatment systems that can neutralize biological agents are needed to mitigate risks from novel and legacy biohazards. Tests with Bacillus thuringiensis and Bacillus steurothemophilus spores were performed in a 190-liter, 1-112 lb TNT equivalent rated Explosive Destruction System (EDS) system to evaluate its capability to treat and destroy biological agents. Five tests were conducted using three different agents to kill the spores. The EDS was operated in steam autoclave, gas fumigation and liquid decontamination modes. The first three tests used EDS as an autoclave, which uses pressurized steam to kill the spores. Autoclaving was performed at 130-140 deg C for up to 2-hours. Tests with chlorine dioxide at 750 ppm concentration for 1 hour and 10% (vol) aqueous chlorine bleach solution for 1 hour were also performed. All tests resulted in complete neutralization of the bacterial spores based on no bacterial growth in post-treatment incubations. Explosively opening a glass container to expose the bacterial spores for treatment with steam was demonstrated and could easily be done for chlorine dioxide gas or liquid bleach.

We have developed a novel approach to modeling the transmembrane spanning helical bundles of integral membrane proteins using only a sparse set of distance constraints, such as those derived from MS3-D, dipolar-EPR and FRET experiments. Algorithms have been written for searching the conformational space of membrane protein folds matching the set of distance constraints, which provides initial structures for local conformational searches. Local conformation search is achieved by optimizing these candidates against a custom penalty function that incorporates both measures derived from statistical analysis of solved membrane protein structures and distance constraints obtained from experiments. This results in refined helical bundles to which the interhelical loops and amino acid side-chains are added. Using a set of only 27 distance constraints extracted from the literature, our methods successfully recover the structure of dark-adapted rhodopsin to within 3.2 {angstrom} of the crystal structure.

We report a new nanolaser technique for measuring characteristics of human mitochondria. Because mitochondria are so small, it has been difficult to study large populations using standard light microscope or flow cytometry techniques. We recently discovered a nano-optical transduction method for high-speed analysis of submicron organelles that is well suited to mitochondrial studies. This ultrasensitive detection technique uses nano-squeezing of light into photon modes imposed by the ultrasmall organelle dimensions in a semiconductor biocavity laser. In this paper, we use the method to study the lasing spectra of normal and diseased mitochondria. We find that the diseased mitochondria exhibit larger physical diameter and standard deviation. This morphological differences are also revealed in the lasing spectra. The diseased specimens have a larger spectral linewidth than the normal, and have more variability in their statistical distributions.

The brain is often identified with decision-making processes in the biological world. In fact, single cells, single macromolecules (proteins) and populations of molecules also make simple decisions. These decision processes are essential to survival and to the biological self-assembly and self-repair processes that we seek to emulate. How do these tiny systems make effective decisions? How do they make decisions in concert with a cooperative network of other molecules or cells? How can we emulate the decision-making behaviors of small-scale biological systems to program and self-assemble microsystems? This LDRD supported research to answer these questions. Our work included modeling and simulation of protein populations to help us understand, mimic, and categorize molecular decision-making mechanisms that nonequilibrium systems can exhibit. This work is an early step towards mimicking such nanoscale and microscale biomolecular decision-making processes in inorganic systems.

Chemically prepared zinc oxide powders are fabricated for the production of high aspect ratio varistor components. Colloidal processing in water was performed to reduce agglomerates to primary particles, form a high solids loading slurry, and prevent dopant migration. The milled and dispersed powder exhibited a viscoelastic to elastic behavioral transition at a volume loading of 43-46%. The origin of this transition was studied using acoustic spectroscopy, zeta potential measurements and oscillatory rheology. The phenomenon occurs due to a volume fraction solids dependent reduction in the zeta potential of the solid phase. It is postulated to result from divalent ion binding within the polyelectrolyte dispersant chain, and was mitigated using a polyethylene glycol plasticizing additive. Chemically prepared zinc oxide powders were processed for the production of high aspect ratio varistor components. Near net shape casting methods including slip casting and agarose gelcasting were evaluated for effectiveness in achieving a uniform green microstructure achieving density values near the theoretical maximum during sintering. The structure of the green parts was examined by mercury porisimetry. Agarose gelcasting produced green parts with low solids loading values and did not achieve high fired density. Isopressing the agarose cast parts after drying raised the fired density to greater than 95%, but the parts exhibited catastrophic shorting during electrical testing. Slip casting produced high green density parts, which exhibited high fired density values. The electrical characteristics of slip cast parts are comparable with dry pressed powder compacts. Alternative methods for near net shape forming of ceramic dispersions were investigated for use with the chemically prepared ZnO material. Recommendations for further investigation to achieve a viable production process are presented.

ALEGRA is an arbitrary Lagrangian-Eulerian multi-material finite element code used for modeling solid dynamics problems involving large distortion and shock propagation. This document describes the basic user input language and instructions for using the software.

An exploratory effort in the application of carbon epoxy composite structural materials to a multi-axis gimbal arm design is described. An existing design in aluminum was used as a baseline for a functionally equivalent redesigned outer gimbal arm using a carbon epoxy composite material. The existing arm was analyzed using finite element techniques to characterize performance in terms of strength, stiffness, and weight. A new design was virtually prototyped. using the same tools to produce a design with similar stiffness and strength, but reduced overall weight, than the original arm. The new design was prototyped using Rapid Prototyping technology, which was subsequently used to produce molds for fabricating the carbon epoxy composite parts. The design tools, process, and results are discussed.

Sensitivity analysis is critically important to numerous analysis algorithms, including large scale optimization, uncertainty quantification,reduced order modeling, and error estimation. Our research focused on developing tools, algorithms and standard interfaces to facilitate the implementation of sensitivity type analysis into existing code and equally important, the work was focused on ways to increase the visibility of sensitivity analysis. We attempt to accomplish the first objective through the development of hybrid automatic differentiation tools, standard linear algebra interfaces for numerical algorithms, time domain decomposition algorithms and two level Newton methods. We attempt to accomplish the second goal by presenting the results of several case studies in which direct sensitivities and adjoint methods have been effectively applied, in addition to an investigation of h-p adaptivity using adjoint based a posteriori error estimation. A mathematical overview is provided of direct sensitivities and adjoint methods for both steady state and transient simulations. Two case studies are presented to demonstrate the utility of these methods. A direct sensitivity method is implemented to solve a source inversion problem for steady state internal flows subject to convection diffusion. Real time performance is achieved using novel decomposition into offline and online calculations. Adjoint methods are used to reconstruct initial conditions of a contamination event in an external flow. We demonstrate an adjoint based transient solution. In addition, we investigated time domain decomposition algorithms in an attempt to improve the efficiency of transient simulations. Because derivative calculations are at the root of sensitivity calculations, we have developed hybrid automatic differentiation methods and implemented this approach for shape optimization for gas dynamics using the Euler equations. The hybrid automatic differentiation method was applied to a first order approximation of the Euler equations and used as a preconditioner. In comparison to other methods, the AD preconditioner showed better convergence behavior. Our ultimate target is to perform shape optimization and hp adaptivity using adjoint formulations in the Premo compressible fluid flow simulator. A mathematical formulation for mixed-level simulation algorithms has been developed where different physics interact at potentially different spatial resolutions in a single domain. To minimize the implementation effort, explicit solution methods can be considered, however, implicit methods are preferred if computational efficiency is of high priority. We present the use of a partial elimination nonlinear solver technique to solve these mixed level problems and show how these formulation are closely coupled to intrusive optimization approaches and sensitivity analyses. Production codes are typically not designed for sensitivity analysis or large scale optimization. The implementation of our optimization libraries into multiple production simulation codes in which each code has their own linear algebra interface becomes an intractable problem. In an attempt to streamline this task, we have developed a standard interface between the numerical algorithm (such as optimization) and the underlying linear algebra. These interfaces (TSFCore and TSFCoreNonlin) have been adopted by the Trilinos framework and the goal is to promote the use of these interfaces especially with new developments. Finally, an adjoint based a posteriori error estimator has been developed for discontinuous Galerkin discretization of Poisson's equation. The goal is to investigate other ways to leverage the adjoint calculations and we show how the convergence of the forward problem can be improved by adapting the grid using adjoint-based error estimates. Error estimation is usually conducted with continuous adjoints but if discrete adjoints are available it may be possible to reuse the discrete version for error estimation. We investigate the advantages and disadvantages of continuous and discrete adjoints through a simple example.

The purpose of the Sandia National Laboratories Advanced Simulation and Computing (ASC) Software Quality Plan is to clearly identify the practices that are the basis for continually improving the quality of ASC software products. The plan defines the ASC program software quality practices and provides mappings of these practices to Sandia Corporate Requirements CPR 1.3.2 and 1.3.6 and to a Department of Energy document, 'ASCI Software Quality Engineering: Goals, Principles, and Guidelines'. This document also identifies ASC management and software project teams responsibilities in implementing the software quality practices and in assessing progress towards achieving their software quality goals.

The purpose of the Sandia National Laboratories (SNL) Advanced Simulation and Computing (ASC) Software Quality Plan is to clearly identify the practices that are the basis for continually improving the quality of ASC software products. Quality is defined in DOE/AL Quality Criteria (QC-1) as conformance to customer requirements and expectations. This quality plan defines the ASC program software quality practices and provides mappings of these practices to the SNL Corporate Process Requirements (CPR 1.3.2 and CPR 1.3.6) and the Department of Energy (DOE) document, ASCI Software Quality Engineering: Goals, Principles, and Guidelines (GP&G). This quality plan identifies ASC management and software project teams' responsibilities for cost-effective software engineering quality practices. The SNL ASC Software Quality Plan establishes the signatories commitment to improving software products by applying cost-effective software engineering quality practices. This document explains the project teams opportunities for tailoring and implementing the practices; enumerates the practices that compose the development of SNL ASC's software products; and includes a sample assessment checklist that was developed based upon the practices in this document.

Macroscopic quantum states such as superconductors, Bose-Einstein condensates and superfluids are some of the most unusual states in nature. In this project, we proposed to design a semiconductor system with a 2D layer of electrons separated from a 2D layer of holes by a narrow (but high) barrier. Under certain conditions, the electrons would pair with the nearby holes and form excitons. At low temperature, these excitons could condense to a macroscopic quantum state either through a Bose-Einstein condensation (for weak exciton interactions) or a BCS transition to a superconductor (for strong exciton interactions). While the theoretical predictions have been around since the 1960's, experimental realization of electron-hole bilayer systems has been extremely difficult due to technical challenges. We identified four characteristics that if successfully incorporated into a device would give the best chances for excitonic condensation to be observed. These characteristics are closely spaced layers, low disorder, low density, and independent contacts to allow transport measurements. We demonstrated each of these characteristics separately, and then incorporated all of them into a single electron-hole bilayer device. The key to the sample design is using undoped GaAs/AlGaAs heterostructures processed in a field-effect transistor geometry. In such samples, the density of single 2D layers of electrons could be varied from an extremely low value of 2 x 10{sup 9} cm{sup -2} to high values of 3 x 10{sup 11} cm{sup -2}. The extreme low values of density that we achieved in single layer 2D electrons allowed us to make important contributions to the problem of the metal insulator transition in two dimensions, while at the same time provided a critical base for understanding low density 2D systems to be used in the electron-hole bilayer experiments. In this report, we describe the processing advances to fabricate single and double layer undoped samples, the low density results on single layers, and evidence for gateable undoped bilayers.

Abstract not provided.

The objective of this LDRD project was to develop a programmable diffraction grating fabricated in SUMMiT V{trademark}. Two types of grating elements (vertical and rotational) were designed and demonstrated. The vertical grating element utilized compound leveraged bending and the rotational grating element used vertical comb drive actuation. This work resulted in two technical advances and one patent application. Also a new optical configuration of the Polychromator was demonstrated. The new optical configuration improved the optical efficiency of the system without degrading any other aspect of the system. The new configuration also relaxes some constraint on the programmable diffraction grating.

Abstract not provided.

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We summarize the results of a project to develop evolutionary computing methods for the design of behaviors of embodied agents in the form of autonomous vehicles. We conceived and implemented a strategy called graduated embodiment. This method allows high-level behavior algorithms to be developed using genetic programming methods in a low-fidelity, disembodied modeling environment for migration to high-fidelity, complex embodied applications. This project applies our methods to the problem domain of robot navigation using adaptive waypoints, which allow navigation behaviors to be ported among autonomous mobile robots with different degrees of embodiment, using incremental adaptation and staged optimization. Our approach to biomimetic behavior engineering is a hybrid of human design and artificial evolution, with the application of evolutionary computing in stages to preserve building blocks and limit search space. The methods and tools developed for this project are directly applicable to other agent-based modeling needs, including climate-related conflict analysis, multiplayer training methods, and market-based hypothesis evaluation.

This report documents the results of an LDRD program entitled 'System of Systems Modeling and Analysis' that was conducted during FY 2003 and FY 2004. Systems that themselves consist of multiple systems (referred to here as System of Systems or SoS) introduce a level of complexity to systems performance analysis and optimization that is not readily addressable by existing capabilities. The objective of the 'System of Systems Modeling and Analysis' project was to develop an integrated modeling and simulation environment that addresses the complex SoS modeling and analysis needs. The approach to meeting this objective involved two key efforts. First, a static analysis approach, called state modeling, has been developed that is useful for analyzing the average performance of systems over defined use conditions. The state modeling capability supports analysis and optimization of multiple systems and multiple performance measures or measures of effectiveness. The second effort involves time simulation which represents every system in the simulation using an encapsulated state model (State Model Object or SMO). The time simulation can analyze any number of systems including cross-platform dependencies and a detailed treatment of the logistics required to support the systems in a defined mission.

Single molecule fluorophores were studied for the first time with a new confocal fluorescence microscope that allows the wavelength and emission time to be simultaneously measured with single molecule sensitivity. In this apparatus, the photons collected from the sample are imaged through a dispersive optical system onto a time and position sensitive detector. This detector records the wavelength and emission time of each detected photon relative to an excitation laser pulse. A histogram of many events for any selected spatial region or time interval can generate a full fluorescence spectrum and correlated decay plot for the given selection. At the single molecule level, this approach makes entirely new types of temporal and spectral correlation spectroscopy of possible. This report presents the results of simultaneous time- and frequency-resolved fluorescence measurements of single rhodamine 6G (R6G), tetramethylrhodamine (TMR), and Cy3 embedded in thin films of polymethylmethacrylate (PMMA).

Radio frequency microelectromechanical systems (RF MEMS) are an enabling technology for next-generation communications and radar systems in both military and commercial sectors. RF MEMS-based reconfigurable circuits outperform solid-state circuits in terms of insertion loss, linearity, and static power consumption and are advantageous in applications where high signal power and nanosecond switching speeds are not required. We have demonstrated a number of RF MEMS switches on high-resistivity silicon (high-R Si) that were fabricated by leveraging the volume manufacturing processes available in the Microelectronics Development Laboratory (MDL), a Class-1, radiation-hardened CMOS manufacturing facility. We describe novel tungsten and aluminum-based processes, and present results of switches developed in each of these processes. Series and shunt ohmic switches and shunt capacitive switches were successfully demonstrated. The implications of fabricating on high-R Si and suggested future directions for developing low-loss RF MEMS-based circuits are also discussed.

Abstract not provided.

The focus of this paper is a penalty-based strategy for preconditioning elliptic saddle point systems. As the starting point, we consider the regularization approach of Axelsson in which a related linear system, differing only in the (2,2) block of the coefficient matrix, is introduced. By choosing this block to be negative definite, the dual unknowns of the related system can be eliminated resulting in a positive definite primal Schur complement. Rather than solving the Schur complement system exactly, an approximate solution is obtained using a substructuring preconditioner. The approximate primal solution together with the recovered dual solution then define the preconditioned residual for the original system. The approach can be applied to a variety of different saddle point problems. Although the preconditioner itself is symmetric and indefinite, all the eigenvalues of the preconditioned system are real and positive if certain conditions hold. Stronger conditions also ensure that the eigenvalues are bounded independently of mesh parameters. An interesting feature of the approach is that conjugate gradients can be used as the iterative solution method rather than GMRES. The effectiveness of the overall strategy hinges on the preconditioner for the primal Schur complement. Interestingly, the primary condition ensuring real and positive eigenvalues is satisfied automatically in certain instances if a Balancing Domain Decomposition by Constraints (BDDC) preconditioner is used. Following an overview of BDDC, we show how its constraints can be chosen to ensure insensitivity to parameter choices in the (2,2) block for problems with a divergence constraint. Examples for different saddle point problems are presented and comparisons made with other approaches.

Confinement within the nanoscale pores of a zeolite strongly modifies the behavior of small molecules. Typical of many such interesting and important problems, realistic modeling of this phenomena requires simultaneously capturing the detailed behavior of chemical bonds and the possibility of collective dynamics occurring in a complex unit cell (672 atoms in the case of Zeolite-4A). Classical simulations alone cannot reliably model the breaking and formation of chemical bonds, while quantum methods alone are incapable of treating the extended length and time scales characteristic of complex dynamics. We have developed a robust and efficient model in which a small region treated with the Kohn-Sham density functional theory is embedded within a larger system represented with classical potentials. This model has been applied in concert with first-principles electronic structure calculations and classical molecular dynamics and Monte Carlo simulations to study the behavior of water, ammonia, the hydroxide ion, and the ammonium ion in Zeolite-4a. Understanding this behavior is important to the predictive modeling of the aging of Zeolite-based desiccants. In particular, we have studied the absorption of these molecules, interactions between water and the ammonium ion, and reactions between the hydroxide ion and the zeolite cage. We have shown that interactions with the extended Zeolite cage strongly modifies these local chemical phenomena, and thereby we have proven out hypothesis that capturing both local chemistry and collective phenomena is essential to realistic modeling of this system. Based on our results, we have been able to identify two possible mechanisms for the aging of Zeolite-based desiccants.

Laser diode ignition experiments were conducted in an effort to characterize the effects of scale and heating rate on micro-scale explosive ignition criteria. Over forty experiments were conducted with various laser power densities and laser spot sizes. In addition, relatively simple analytical and numerical calculations were performed to assist with interpretation of the experimental data and characterization of the explosive ignition criteria.

Abstract not provided.

A series of numerical simulations have been performed to determine scaling laws for fast ignition break even of a hot spot formed by energetic particles created by a short pulse laser. Hot spot break even is defined to be when the fusion yield is equal to the total energy deposited in the hot spot through both the initial compression and the subsequent heating. In these simulations, only a small portion of a previously compressed mass of deuterium-tritium fuel is heated on a short time scale, i.e., the hot spot is tamped by the cold dense fuel which surrounds it. The hot spot tamping reduces the minimum energy required to obtain break even as compared to the situation where the entire fuel mass is heated, as was assumed in a previous study [S. A. Slutz, R. A. Vesey, I. Shoemaker, T. A. Mehlhorn, and K. Cochrane, Phys. Plasmas 7, 3483 (2004)]. The minimum energy required to obtain hot spot break even is given approximately by the scaling law E{sub T} = 7.5({rho}/100){sup -1.87} kJ for tamped hot spots, as compared to the previously reported scaling of E{sub UT} = 15.3({rho}/100){sup -1.5} kJ for untamped hotspots. The size of the compressed fuel mass and the focusability of the particles generated by the short pulse laser determines which scaling law to use for an experiment designed to achieve hot spot break even.

Abstract not provided.

Abstract not provided.

This article provides a brief review of the field of electroporation and introduces a new microdevice that facilitates studies to test theories, gain understanding, and control this important biomedical technology. Electroporation, a bio-electrochemical process whose fundamentals are not yet understood, is a means of permeating the cell membrane by applying a voltage across the cell and forming nano-scale pores in the membrane. It has become an important field in biotechnology and medicine for the controlled introduction of macromolecules, such as gene constructs and drugs, into various cells. It is viewed as an engineering alternative to biological techniques for the genetic engineering of cells. To study and control electroporation, we have created a low-cost microelectroporation chip that incorporates a live biological cell with an electric circuit. The device revealed an important behavior of cells in electrical fields. They produce measurable electrical information about the electroporation state of the cell that may enable precise control of the process. The device can be used to facilitate fundamental studies of electroporation and can become useful in providing precise control over biotechnological processes.

Abstract not provided.

This document provides a detailed discussion and a guide for the use of the RadCat 2.0 Graphical User Interface input file generator for the RADTRAN 5.5 code. The differences between RadCat 2.0 and RadCat 1.0 can be attributed to the differences between RADTRAN 5 and RADTRAN 5.5 as well as clarification for some of the input parameters. 3

The synthesis of a photoswitchable polymer by grafting an azobenzene dye to methacrylate followed by polymerization is presented. The azobenzene dye undergoes a trans-cis photoisomerization that causes a persistent change in the refractive index of cast polymer films. This novel polymer was incorporated into superlattices prepared by spin casting and the optical activity of the polymer was maintained. A modified coextruder that allows the rapid production of soft matter superlattices was designed and fabricated.

Two methods for creating a hybrid level-set (LS)/particle method for modeling surface evolution during feature-scale etching and deposition processes are developed and tested. The first method supplements the LS method by introducing Lagrangian marker points in regions of high curvature. Once both the particle set and the LS function are advanced in time, minimization of certain objective functions adjusts the LS function so that its zero contour is in closer alignment with the particle locations. It was found that the objective-minimization problem was unexpectedly difficult to solve, and even when a solution could be found, the acquisition of it proved more costly than simply expanding the basis set of the LS function. The second method explored is a novel explicit marker-particle method that we have named the grid point particle (GPP) approach. Although not a LS method, the GPP approach has strong procedural similarities to certain aspects of the LS approach. A key aspect of the method is a surface rediscretization procedure--applied at each time step and based on a global background mesh--that maintains a representation of the surface while naturally adding and subtracting surface discretization points as the surface evolves in time. This method was coded in 2-D, and tested on a variety of surface evolution problems by using it in the ChISELS computer code. Results shown for 2-D problems illustrate the effectiveness of the method and highlight some notable advantages in accuracy over the LS method. Generalizing the method to 3D is discussed but not implemented.

Abstract not provided.

Understanding and characterizing the electrical properties of multi-conductor shielded and unshielded cables is an important endeavor for many diverse applications, including airlines, land based communications, nuclear weapons, and any piece of hardware containing multi-conductor cabling. Determining the per unit length capacitance and inductance based on the geometry of the conductors, number of conductors, and characteristics of the shield can prove quite difficult. Relating the inductance and capacitance to shielding effectiveness can be even more difficult. An exceedingly large number of measurements were taken to characterize eight multi-conductor cables, of which four were 3-conductor cables and four were 18-conductor cables. Each set of four cables contained a shielded cable and an unshielded cable with the inner conductors twisted together and a shielded cable and an unshielded cable with the inner conductors not twisted together (or straight). Male LJT connectors were attached on either end of the cable and each cable had a finished length of 22.5 inches. The measurements performed were self and mutual inductance, self and mutual capacitance, and effective height. For the 18 conductor case there ended up being an 18 by 18 element matrix for inductance (with the self inductance terms lying on the diagonal) and an 18 by 18 matrix for capacitance. The effective height of each cable was measured over a frequency range from 220 MHz to 18 GHz in a Mode-Stirred Chamber. The effective height of each conductor of each cable was measured individually and all shorted together, producing 19 frequency responses for each 18 conductor cable. Shielding effectiveness was calculated using the effective heights from the shielded and unshielded cables. The results of these measurements and the statistical analysis of the data will be presented. There will also be a brief presentation of comparison with numerical models.

This report describes an approach for extending the one-dimensional turbulence (ODT) model of Kerstein [6] to treat turbulent flow in three-dimensional (3D) domains. This model, here called ODTLES, can also be viewed as a new LES model. In ODTLES, 3D aspects of the flow are captured by embedding three, mutually orthogonal, one-dimensional ODT domain arrays within a coarser 3D mesh. The ODTLES model is obtained by developing a consistent approach for dynamically coupling the different ODT line sets to each other and to the large scale processes that are resolved on the 3D mesh. The model is implemented computationally and its performance is tested and evaluated by performing simulations of decaying isotropic turbulence, a standard turbulent flow benchmarking problem.

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Military test and training ranges operate with live fire engagements to provide realism important to the maintenance of key tactical skills. Ordnance detonations during these operations typically produce minute residues of parent explosive chemical compounds. Occasional low order detonations also disperse solid phase energetic material onto the surface soil. These detonation remnants are implicated in chemical contamination impacts to groundwater on a limited set of ranges where environmental characterization projects have occurred. Key questions arise regarding how these residues and the environmental conditions (e.g., weather and geostratigraphy) contribute to groundwater pollution impacts. This report documents interim results of a mass transfer model evaluating mass transfer processes from solid phase energetics to soil pore water based on experimental work obtained earlier in this project. This mass transfer numerical model has been incorporated into the porous media simulation code T2TNT. Next year, the energetic material mass transfer model will be developed further using additional experimental data.

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The presentation outline of this paper is: (1) How identification of chemical hazards fits into a security risk analysis approach; (2) Techniques for target identification; and (3) Identification of chemical hazards by different organizations. The summary is: (1) There are a number of different methodologies used within the chemical industry which identify chemical hazards: (a) Some develop a manual listing of potential targets based on published lists of hazardous chemicals or chemicals of concern, 'expert opinion' or known hazards. (b) Others develop a prioritized list based on chemicals found at a facility and consequence analysis (offsite release affecting population, theft of material, product tampering). (2) Identification of chemical hazards should include not only intrinsic properties of the chemicals but also potential reactive chemical hazards and potential use for activities off-site.

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Technologies that could quickly detect and identify virus particles would play a critical role in fighting bioterrorism and help to contain the rapid spread of disease. Of special interest is the ability to detect the presence and movement of virions without chemically modifying them by attaching molecular probes. This would be useful for rapid detection of pathogens in food or water supplies without the use of expensive chemical reagents. Such detection requires new devices to quickly screen for the presence of tiny pathogens. To develop such a device, we fabricated nanochannels to transport virus particles through ultrashort laser cavities and measured the lasing output as a sensor for virions. To understand this transduction mechanism, we also investigated light scattering from virions, both to determine the magnitude of the scattered signal and to use it to investigate the motion of virions.

This overview is intended to provide the reader with insight into basic reliability issues often confronted when designing long-term geothermal well monitoring equipment. No single system is looked at. General examples of the long-term reliability of other industries are presented. Examples of reliability issues involving electronic components and sensors along with fiber optic sensors and cables are given. This paper will aid in building systems where a long operating life is required. However, as no introductory paper can cover all reliability issues, basic assembly practices and testing concepts are presented.

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IFPACK provides a suite of object-oriented algebraic preconditioners for the solution of preconditioned iterative solvers. IFPACK constructors expect the (distributed) real sparse matrix to be an Epetra RowMatrix object. IFPACK can be used to define point and block relaxation preconditioners, various flavors of incomplete factorizations for symmetric and non-symmetric matrices, and one-level additive Schwarz preconditioners with variable overlap. Exact LU factorizations of the local submatrix can be accessed through the AMESOS packages. IFPACK , as part of the Trilinos Solver Project, interacts well with other Trilinos packages. In particular, IFPACK objects can be used as preconditioners for AZTECOO, and as smoothers for ML. IFPACK is mainly written in C++, but only a limited subset of C++ features is used, in order to enhance portability.

Abstract not provided.

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Porphyrin nanotubes represent a new class of nanostructures for which the molecular building blocks can be altered to control their structural and functional properties. Nanotubes containing tin(IV) porphyrins are photocatalytically active and can reduce metal ions from aqueous solution. The metal is deposited selectively onto tube surfaces, producing novel composite nanostructures that have potential applications as nanodevices. Two examples presented here are nanotubes with a continuous gold wire in the core and a gold ball at the end and nanotubes coated with platinum nanoparticles mainly on their outer surfaces. The latter are capable of photocatalytic reduction of water to hydrogen. Copyright © 2004 American Chemical Society.

Optical reflectance and atomic force microscopy (AFM) are used to develop a detailed description of GaN nucleation layer (NL) evolution upon annealing in ammonia and hydrogen to 1050°C. For the experiments, the GaN NLs were grown to a thickness of 30nm at 540°C, and then heated to 1050°C, following by holding at 1050°C for additional time. As the temperature, T, is increased, the NL decomposes uniformly beginning at 850°C up to 980°C as observed by the decrease in the optical reflectance signal and the absence of change in the NL AFM images. Decomposition of the original NL material drives the formation of GaN nuclei on top of the NL, which begin to appear on the NL near 1000°C, increasing the NL roughness. The GaN nuclei are formed by gas-phase transport of Ga atoms generated during the NL decomposition that recombine with ambient NH3. The gas-phase mechanism responsible for forming the GaN nuclei is demonstrated in two ways. First, the NL decomposition kinetics has an activation energy, EA, of 2.7 eV and this EA is observed in the NL roughening as the GaN nuclei increase in size. Second, the power spectral density functions measured with atomic force microscopy reveal that the GaN nuclei grow via an evaporation and recondensation mechanism. Once the original NL material is fully decomposed, the GaN nuclei stop growing in size and begin to decompose. For 30 nm thick NLs used in this study, approximately 1/3 of the NL Ga atoms are reincorporated into GaN nuclei. A detailed description of the NL evolution as it is heated to high temperature is presented, along with recommendations on how to enhance or reduce the NL decomposition and nuclei formation before high T GaN growth. © 2004 Elsevier B.V. All rights reserved.

The evolution of Coulomb interactions across the metal insulator transition (MIT) in a 3D localized conductor was experimentally investigated. The data were used to construct a phase diagram of the macroscopic Coulomb-correlated states as a function of single-particle energy and density. The phase diagrams show the existence of a phase boundary that separates low-energy distinctive metallic or insulating behavior from a higher energy mixed state. The data indicate a diverging screening radius at the critical density, which may signal an interaction-driven thermodynamic state change.

This document transmits the U.S. Fish and Wildlife Service's (Service) biological and conference opinions based on our review of National Nuclear Security Administration's (NNSA) proposed Maximum Operations Alternative at Sandia National Laboratories (SNL/CA), Alameda County, California.

Sandia has been investigating the use of "intelligent sensors" and their integration into "Smart Networks" for security applications. Intelligent sensors include devices that assess various phenomenologies such as radiation, chem-bio agents, radars, and video/video-motion detection. The main problem experienced with these intelligent sensors is in integrating the output from these various sensors into a system that reports the data to users in a manner that enables an efficient response to potential threats. The overall systems engineering is a critical part of bringing these intelligent sensors on-line and is important to ensuring that these systems are successfully deployed. The systems engineering effort includes designing and deploying computer networks, interfaces to make systems inter-operable, and training users to ensure that these intelligent sensors can be deployed property. This paper focuses on Sandia's efforts to investigate the systems architecture for "smart" networks and the various interfaces required between "smart" sensors to implement these "Smart Networks." ©2004 IEEE.

One effect noted during the March 1975 fire at the Browns Ferry plant is that fire-induced cable damage caused a range of unanticipated circuit faults including spurious reactor status signals and the apparent spurious operation of plant systems and components. Current USNRC regulations require that licensees conduct a post-fire safe shutdown analysis that includes consideration of such circuit effects. Post-fire circuit analysis continues to be an area of both technical challenge and regulatory focus. This paper discusses risk perspectives related to post-fire circuit analysis. An opening background discussion outlines the issues, concerns, and technical challenges. The paper then focuses on current risk insights and perspectives relevant to the circuit analysis problem. This includes a discussion of the available experimental data on cable failure modes and effects, a discussion of fire events that illustrate potential fire-induced circuit faults, and a discussion of risk analysis approaches currently being developed and implemented.

The complexity associated with the dynamics of wire arrays from individual wire ablation to wire-wire interaction and finally stagnation have been observed with relatively recent advances in experimental diagnostics. These experimental snapshots illustrate the existence of three-dimensional effects (e.g. wire precursor ablation and stagnation, array mass left behind, current density redistribution, multiple stagnations) that have a significant impact on the total radiation output. A detailed understanding of the magnitude and impact of these perturbations is lacking, especially those perturbations in three-dimensions. Sandia National Laboratories has developed a new multi-physics simulation framework tailored to high energy density physics (HEDP) environments. ALEGRA-HEDP[1] has begun to simulate this environment and has produced the highest fidelity, two-dimensional simulations of wire-array precursor ablation to date. The three-dimensional code capability now provides the ability to solve for the magnetic field and current density distribution associated with both the wire array and the complex current return structure. With this new capability the impact that experimental view-ports (e.g., slots in the current return can and radial spokes) have on the magnetic field surrounding the array can be investigated. Specifically, the impact that the perturbed magnetic field has on an idealized cylindrical liner implosion has been investigated.

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The turbulent convection that takes place in a Chandrasekhar-mass white dwarf during the final few minutes before it explodes determines where and how frequently it ignites. Numerical simulations have shown that the properties of the subsequent Type la supernova are sensitive to these ignition conditions. A heuristic model of the turbulent convection is explored. The results suggest that supernova ignition is likely to occur at a radius of order 100 km, rather than at the center of the star.

In this study, we extend self-similar, far-field, turbulent wake concepts to estimate the 2-d drag coefficient for a range of bluff body problems. The self-similar wake velocity defect that is normally independent of the near field wake (and hence body geometry) is modified using a combined approximate Green's function/Gram-Charlier series approach to retain the body geometry information. Formally a near field velocity defect profile is created using small disturbance theory and the inviscid flow field associated with the body of interest. The defect solution is then used as an initial condition in the approximate Green's function solution. Finally, the Green's function solution is matched to the Gram-Charlier series yielding profiles that are integrated to yield the net form drag on the bluff body. Preliminary results indicate that drag estimates computed using this method are within approximately 15% as compared to published values for flows with large separation. This methodology may be of use as a supplement to CFD and experimental solutions in reducing the heavy computational and experimental burden of estimating drag coefficients for blunt body flows for preliminary design type studies. © 2004 by the American Institute of Aeronautics and Astronautics, Inc.

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Three-dimensional Direct Simulation Monte Carlo simulations of Columbia Shuttle Orbiter flight STS-107 are presented. The aim of this work is to determine the aerodynamic and heating behavior of the Orbiter during aerobraking maneuvers and to provide piecewise integration of key scenario events to assess the plausibility of the candidate failure scenarios. The flight of the Orbiter is examined at two altitudes: 350-kft and 300-kft. The flowfield around the Orbiter and the heat transfer to it are calculated for the undamaged configuration. The flow inside the wing for an assumed damage to the leading edge in the form of a 10- inch hole is studied.

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This report covers the basic design of the Sandia downhole geothermal reservoir monitoring system. The monitoring system can operate continuously at temperatures up to 240°C (464°F) while measuring small pressure and temperature changes in reservoirs. Future improvements in the existing system will come from research and development programs by such agencies as NASA, JPL, USAF and NETL. An explanation of the benefits of this research to the Geothermal HT electronics program will be given.

Chemical transport through human skin can play a significant role in human exposure to toxic chemicals in the workplace, as well as to chemical/biological warfare agents in the battlefield. The viability of transdermal drug delivery also relies on chemical transport processes through the skin. Models of percutaneous absorption are needed for risk-based exposure assessments and drug-delivery analyses, but previous mechanistic models have been largely deterministic. A probabilistic, transient, three-phase model of percutaneous absorption of chemicals has been developed to assess the relative importance of uncertain parameters and processes that may be important to risk-based assessments. Penetration routes through the skin that were modeled include the following: (1) intercellular diffusion through the multiphase stratum corneum; (2) aqueous-phase diffusion through sweat ducts; and (3) oil-phase diffusion through hair follicles. Uncertainty distributions were developed for the model parameters, and a Monte Carlo analysis was performed to simulate probability distributions of mass fluxes through each of the routes. Sensitivity analyses using stepwise linear regression were also performed to identify model parameters that were most important to the simulated mass fluxes at different times. This probabilistic analysis of percutaneous absorption (PAPA) method has been developed to improve risk-based exposure assessments and transdermal drug-delivery analyses, where parameters and processes can be highly uncertain. © 2004 Elsevier B.V. All rights reserved.

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The system design of the Advanced Exterior Sensor (AES), test data and Sandia National Laboratories' current work on the AES is described. The AES integrates three sensor technologies (thermal infrared waveband, visible waveband, and microwave radar) in a Remote Sensor Module communicating with three motion detection target trackers and a sensor fusion software module in the Data Processor Module to achieve higher performance than single technology devices. Wide areas are covered by continuously scanning the three sensors 360 degrees in about one second. The images from the infrared and visible detector sets and the radar range data are updated as the sensors rotate each second. The radar provides range data with approximately one-meter resolution. Panoramic imagery is generated for immediate visual assessment of alarms using the Display Control Module. There is great potential for site security enhancement using the AES, which was designed for low-cost, easy use and rapid deployment to cover wide areas beyond typical perimeters, possibly in place of typical perimeter sensors, and for tactical applications around fixed or temporary high-value assets. Commercial-off-the-shelf (COTS) systems have neither the three sensor technologies nor the imaging sensor resolution. Cost and performance will be discussed for different scenarios. ©2004 IEEE.

Recent attempts to fabricate free-standing MEMS structures using electrodeposited Ni have run into difficulty due to the curvatures that result from stress gradients intrinsic to electrodeposition. We have investigated the intrinsic stress behavior during electrodeposition of Ni from an additive-free sulfamate bath. It was determined that the stress during the first 1000 Å of growth was dependent only on the substrate materials, whereas the stress after that point was dependent on the deposition rate. Additionally, the stress in this region was found to be independent of the stress-state of the underlying material. Therefore, by varying the plating dynamically during deposition it is possible to reduce or eliminate the curvature in Ni MEMS structures.

Paraxial diodes have been a stronghold for high-brightness, flash x-ray radiography. In its traditional configuration, an electron beam impinges onto an anode foil, entering a gas-filled transport cell. Within the cell, the beam is focused into a small spot onto a high-Z target to generate x-rays for the radiographic utility. Simulations using Lsp, a particle-in-cell code, have shown that within the gas-filled focusing cell the electron beam spot location sweeps axially during the course of the beam pulse. The result is a larger radiographic spot than is desirable. Lsp has also shown that replacing the gas-filled cell with a fully ionized plasma on the order of 1016 cm-3 will prevent the spot from significant beam sweeping, thus resulting in a smaller, more stable radiographic spot size. Sandia National Laboratories (SNL) is developing a plasma-filled focusing cell for future paraxial diode experiments. A z-discharge in a hydrogen fill is used to generate a uniform, highly ionized plasma. Laser interferometry is the key diagnostic to determine electron density in a light lab setting and during future paraxial diode shots on SNL's RITS-3 accelerator. A time-resolved spot diagnostic will also be implemented during diode shots to measure the change in spot size during the course of the pulse. © 2004 IEEE.

Two-dimensional facial recognition has, traditionally, been an attractive biometric, however, the accuracy of 2D facial recognition (FR) is performance limited and insufficient when confronted with extensive numbers of people to screen and identify, and the numerous appearances that a 2D face can exhibit. In efforts to overcome many of the issues limiting 2D FR technology, researchers are beginning to focus their attention on 3D FR technology. In this paper, an analysis of a 3D FR system being developed at Sandia National Laboratories is performed. The study involves the use of 200 subjects on which verification (one-to-one) matches are performed using a single probe database (one correct match per subject) and 30 subjects on which identification matches are performed. The system is evaluated in terms of probability of detection (Pd) and probability of false accepts (FAR). The results presented will aid in providing an initial understanding of the performance of 3D FR © 2004 IEEE.

The effect of variable demands at short time scales on the transport of a solute through a water distribution network has not previously been studied. We simulate flow and transport in a small water distribution network using EPANET to explore the effect of variable demand on solute transport across a range of hydraulic time step scales from 1 minute to 2 hours. We show that variable demands at short time scales can have the following effects: smoothing of a pulse of tracer injected into a distribution network and increasing the variability of both the transport pathway and transport timing through the network. Variable demands are simulated for these different time step sizes using a previously developed Poisson rectangular pulse (PRP) demand generator that considers demand at a node to be a combination of exponentially distributed arrival times with log-normally distributed intensities and durations. Solute is introduced at a tank and at three different network nodes and concentrations are modeled through the system using the Lagrangian transport scheme within EPANET. The transport equations within EPANET assume perfect mixing of the solute within a parcel of water and therefore physical dispersion cannot occur. However, variation in demands along the solute transport path contribute to both removal and distortion of the injected pulse. The model performance measures examined are the distribution of the Reynolds number, the variation in the center of mass of the solute across time, and the transport path and timing of the solute through the network. Variation in all three performance measures is greatest at the shortest time step sizes. As the scale of the time step increases, the variability in these performance measures decreases. The largest time steps produce results that are inconsistent with the results produced by the smaller time steps.

In multispectral imaging, automated cross-spectral (band-to-band) image registration is difficult to achieve with a reliability approaching 100%. This is particularly true when registering infrared to visible imagery, where contrast reversals are common and similarity is often lacking. Algorithms that use mutual information as a similarity measure have been shown to work well in the presence of contrast reversal. However, weak similarity between the long-wave infrared (LWIR) bands and shorter wavelengths remains a problem. A method is presented in this paper for registering multiple images simultaneously rather than one pair at a time using a multivariate extension of the mutual information measure. This approach improves the success rate of automated registration by making use of the information available in multiple images rather than a single pair. This approach is further enhanced by including a cyclic consistency check, for example registering band A to B, B to C, and C to A. The cyclic consistency check provides an automated measure of success allowing a different combination of bands to be used in the event of a failure. Experiments were conducted using imagery from the Department of Energy's Multispectral Thermal Imager satellite. The results show a significantly improved success rate.

Calcium fluoride is a desirable material for optical design of space systems in the ultraviolet, visible, and infrared bands. Modern calcium fluoride materials fabricated for the photolithography industry are highly resistant to space radiation. The wide wavelength band and low dispersion are also desirable properties. Unfortunately, calcium fluoride has a host of significant material property issues which hinder its use in the space environment. Low hardness, susceptibility to thermal and mechanical shock, and large coefficient of thermal expansion present significant challenges during development of opto-mechanical designs. Sandia National Laboratories Monitoring Systems and Technology Center has fielded a calcium fluoride based optical system for use in space. The Sandia design solution is based upon a spring-loaded mount which uses no volatile organic compounds. The theory of the Sandia solution is developed and design rules are presented. The Sandia design solution is illustrated for a specific example. Example design and margin calculations are shown. Finally, lessons learned from our design realization and qualification testing efforts are shared for the benefit of the community.

While hyperspectral imaging systems are increasingly used in remote sensing and offer enhanced scene characterization relative to univariate and multispectral technologies, it has proven difficult in practice to extract all of the useful information from these systems due to overwhelming data volume, confounding atmospheric effects, and the limited a priori knowledge regarding the scene. The need exists for the ability to perform rapid and comprehensive data exploitation of remotely sensed hyperspectral imagery. To address this need, this paper describes the application of a fast and rigorous multivariate curve resolution (MCR) algorithm to remotely sensed thermal infrared hyperspectral images. Employing minimal a priori knowledge, notably non-negativity constraints on the extracted endmember profiles and a constant abundance constraint for the atmospheric upwelling component, it is demonstrated that MCR can successfully compensate thermal infrared hyperspectral images for atmospheric upwelling and, thereby, transmittance effects. We take a semi-synthetic approach to obtaining image data containing gas plumes by adding emission gas signals onto real hyperspectral images. MCR can accurately estimate the relative spectral absorption coefficients and thermal contrast distribution of an ammonia gas plume component added near the minimum detectable quantity.

In this paper, we describe an unstructured mesh volume renderer. Our renderer is interactive and accurately integrates light intensity an order of magnitude faster than previous methods. We employ a projective technique that takes advantage of the expanded programmability of the latest 3D graphics hardware. We also analyze an optical model commonly used for scientific volume rendering and derive a new method to compute it that is very accurate but computationally feasible in real time. We demonstrate a system that can accurately produce a volume rendering of an unstructured mesh with a first-order approximation to any classification method. Furthermore, our system is capable of rendering over 300 thousand tetrahedra per second yet is independent of the classification scheme used. © 2004 IEEE.

We've generated high-quality flat-top spatial profiles from a modified Continuum Powerlite 9010 Nd:YAG laser using the Gaussian-to-flat-top refractive beam shaper available from Newport Corporation. The Powerlite is a flashlamp-pumped, Q-switched, injection-seeded Nd:YAG laser manufactured in 1993 that delivers ∼ 1.6 J at 10 Hz using an oscillator and two 9 mm diameter amplifier rods. While its pulse energy is impressive, its beam-quality is typically poor, an all too common characteristic of research-grade Nd:YAG lasers manufactured in the late 1980's and early 1990's. Structure in its near-field spatial fluence profile is reminiscent of round-aperture diffraction that is superposed with additional "hot spots." These characteristics are largely due to poor beam quality from the oscillator coupled with over-filled amplifier rods, and reflect a design philosophy from the era of organic dye lasers. When these older laser systems are used for tasks like pumping optical parametric oscillators (OPO's), or for other applications demanding good beam quality, their designs are simply inadequate. To improve the 9010's beam quality we spatially filter the oscillator beam and remove the resulting Airy rings with an iris, then collimate and magnify the remaining central disk so its diameter is appropriate for input to the refractive shaper. The output of the beam shaper is then double-pass amplified through two amplifier rods with thermally induced focusing compensated by a negative lens before the first pass and by a convex mirror before the second pass. Using this approach we've obtained single-pass energy exceeding 250 mJ with little degradation of the flat-top profile and ∼ 950 mJ after double pass amplification. After double-passing the two amplifier rods the beam suffers some degradation in symmetry and uniformity, but is still much improved compared to the beam obtained using the 9010's original factory configuration. We find the modified 9010's fiat-top profile improves conversion efficiency when used for our applications in crystal nonlinear optics.

Transmission measurements of niobium and zirconium at both extreme-ultraviolet (EUV) and ultraviolet, visible, and near infrared (UV/Vis/NIR) wavelengths are presented. Thin foils of various thicknesses mounted on nickel mesh substrates were measured, and these data were used to calculate the optical constants δ and β of the complex refractive index n = 1-δ+iβ. β values were calculated directly from the measured transmittance of the foils after normalizing for the nickel mesh. The average β values for each set of foils are presented as a function of wavelength. The real (dispersive) part of the refractive index, δ was then calculated from Kramers-Kronig analysis by combining these β values with those from previous experimental data and the atomic tables.

Historically tracking systems have provided limited quantitative data such as approximate range, speed, and trajectory. Today's tracking systems are now being tasked with accurately quantifying a broader range of dynamic state variables (e.g., absolute and relative position, orientation, linear and angular velocity/acceleration, spin rate, trajectory, angle of attack, angle of impact) for high-speed test articles. This information is needed to demonstrate that the required test conditions are achieved, to develop, validate, and apply predictive models, and to document a system's response to a test environment. Few existing and emerging optical tracking methods accurately provide the dynamic state variables. Even fewer quantify the measurement uncertainty. Past measurement error estimates have been either qualitative or lacked the rigor needed to accurately validate and apply predictive models. This presentation will discuss tracking options and approaches for characterizing tracking measurement uncertainty.

Transmission electron microscope (TEM) tomography provides three-dimensional structural information from tilt series with nanoscale resolution. We have collected TEM projection data sets to study the internal structure of photocatalytic nanoparticles. Multiple cross-sectional slices of the nanoparticles are reconstructed using an algebraic reconstruction technique (ART) and then assembled to form a 3D rendering of the object. We recently upgraded our TEM with a new sample holder having a tilt range of ±70° and have collected tomography data over a range of 125°. Simulations were performed to study the effects of field-of-view displacement (shift and rotation), limited tilt angle range, hollow (missing) projections, stage angle accuracy, and number of projections on the reconstructed image quality. This paper discusses our experimental and computational approaches, presents some examples of TEM tomography, and considers future directions.

The system design of the Advanced Exterior Sensor (AES), test data and Sandia National Laboratories' current work on the AES is described. The AES integrates three sensor technologies (thermal infrared waveband, visible waveband, and microwave radar) in a Remote Sensor Module communicating with three motion detection target trackers and a sensor fusion software module in the Data Processor Module to achieve higher performance than single technology devices. Wide areas are covered by continuously scanning the three sensors 360 degrees in about one second. The images from the infrared and visible detector sets and the radar range data are updated as the sensors rotate each second. The radar provides range data with approximately one-meter resolution. Panoramic imagery is generated for immediate visual assessment of alarms using the Display Control Module. There is great potential for site security enhancement using the AES, which was designed for low-cost, easy use and rapid deployment to cover wide areas beyond typical perimeters, possibly in place of typical perimeter sensors, and for tactical applications around fixed or temporary high-value assets. Commercial-off-the-shelf (COTS) systems have neither the three sensor technologies nor the imaging sensor resolution. Cost and performance will be discussed for different scenarios. ©2004 IEEE.

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We present the design and fabrication of voltage tunable two-color superlattice infrared photodetectors (SLIPs), where the detection wavelength switches from the long-wavelength infrared (LWIR) range to the mid-wavelength infrared (MWIR) range upon reversing the polarity of applied bias. The photoactive region of these detectors contains multiple periods of two distinct short-period SLs that are designed for MWIR and LWIR detection. The voltage tunable operation is achieved by using two types of thick blocking barriers between adjacent SLs - undoped barriers on one side for low energy electrons and heavily-doped layers on the other side for high energy electrons. We grew two SLIP structures by molecular beam epitaxy. The first one consists of two AlGaAs/GaAs SLs with the detection range switching from the 7-11 μm band to the 4-7 μm range on reversing the bias polarity. The background-limited temperature is 55 and 80 K for LWIR and MWIR detection, respectively. The second structure comprises of strained InGaAs/GaAs/AlGaAs SLs and AlGaAs/GaAs SLs. The detection range of this SLIP changes from the 8-12 μm band to the 3-5 μm band on switching the bias polarity. The background-limited temperature is 70 and 110 K for LWIR and MWIR detection, respectively. This SLIP is the first ever voltage tunable MWIR/LWIR detector with performance comparable to those of one-color quantum-well infrared detectors designed for the respective wavelength ranges. We also demonstrate that the corrugated light coupling scheme, which enables normal-incidence absorption, is suitable for the two-color SLIPs. Since these SLIPs are two-terminal devices, they can be used with the corrugated geometry for the production of low-cost large-area two-color focal plane arrays.

While there currently are a number of effective technologies and methodologies for explosive screening when close proximity to the person, package, or vehicle being screened is feasible, the problem of detecting explosives at significant stand-off distances remains one of the most difficult - and most important - challenges confronting physical security specialists. Among the major detection techniques, trace detection suffers from the fact that available vapor plumes are normally too dilute for detection at appreciable standoff under all but the most favorable conditions, and probing bulk techniques suffer from an intrinsic 1/r 4 fall-off of the signal intensity with distance. Research into potential means of standoff detection is necessary to try to address this important problem. This paper presents an overview of detection technologies that could prove useful in certain standoff detection applications, along with comments on future research needs. A distinction will be made between remote detection, in which the personnel searching for explosives maintain a safe standoff distance from the object being screened but where a sampling and/or detection unit may approach the object closely, and true standoff detection, where both the personnel and the sampling/detection equipment maintain a large standoff distance © 2004 IEEE.

Under traditional fire PRA methods, operating experience was used primarily to support statistical analysis of fire frequencies for specific plant locations and/or specific classes of fire ignition sources. While this application of the data continues, recent efforts to improve fire PRA methods, tools, and data are drawing more widely on insights from operating experience. This paper will describe some of the ways in which operating experience is being used to support fire PRA development activities.

We describe a post release die separation process for polysilicon surface micromachines using a combination of diamond scribing and breaking. The process resulted in yields above 80% for two types of electrostatic actuators. The paper describes the experimental apparatus and optimization of the process using a four parameter design of experiments. We determined that the two key parameters in the scribe-and-break process are the scribe force and the scribe angle. We also examined the theory of crack creation during the scribing process and determined experimentally that the crack depth in silicon is consistent with the theory developed for the scribing of glass. Copyright © 2004 by ASME.

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Tetrahydrofurfuryl alcohol (H-OTHF) was successfully reacted with a series of aluminum alkyls (AlR{sub 3}) to yield compounds of the general formula [R{sub 2}Al({mu}-OTHF)]{sub 2} where R = CH{sub 3} (1), CH{sub 2}CH{sub 3} (2), and CH{sub 2}CH(CH{sub 3}){sub 2} (3). Further, reactivity studies showed that the alkyls for 1 were easily exchanged, forming compounds of the general formula [Me(OR)Al({mu}-OTHF)]{sub 2} where OR = OC{sub 6}H{sub 3}(Me){sub 2}-2,6 (4), OC{sub 6}H{sub 3}(CMe{sub 3}){sub 2}-2,6 (5a), and OSi(C{sub 6}H5){sub 3} (6). For 5a, reflux temperatures were required to get the full exchange; otherwise the asymmetric derivative [Me(OR)Al({mu}-OTHF){sub 2}AlMe{sub 2}] (5b) was isolated. The bulk powders of 1-6 were found to be in agreement with the crystal structures on the basis of elemental analyses and multinuclear solid state NMR studies. Multinuclear solution state NMR studies indicate that the alkyl OTHF derivatives have cis/trans isomers due to the chiral proton on the OTHF ligand.

The synthesis and characterization of a family of alternative precursors for the production of CdE nanoparticles (E = S, Se, and Te) is reported. The reaction of Cd(NR{sub 2}){sub 2} where NR{sub 2} = N(SiMe{sub 3}){sub 2} with n HOR led to the isolation of the following: n = 1 [Cd({mu}-OCH{sub 2}CMe{sub 3})(NR{sub 2})(py)]{sub 2} (1, py = pyridine), Cd[({mu}-OC{sub 6}H{sub 3}(Me){sub 2}-2,6){sub 2}Cd(NR{sub 2})(py)]{sub 2} (2), [Cd({mu}-OC{sub 6}H{sub 3}(CHMe{sub 2}){sub 2}-2,6)(NR{sub 2})(py)]{sub 2} (3), [Cd({mu}-OC{sub 6}H{sub 3}(CMe{sub 3}){sub 2}-2,6)(NR{sub 2})(py)]{sub 2} (4), [Cd({mu}-OC{sub 6}H{sub 2}(NH{sub 2}){sub 3}-2,4,6)(NR{sub 2})(py)]{sub 2} (5), and n = 2 [Cd({mu}-OC{sub 6}H{sub 3}(Me){sub 2}-2,6)(OC{sub 6}H{sub 3}(Me){sub 2}-2,6)(py){sub 2}]{sub 2} (6), and [Cd({mu}-OC{sub 6}H{sub 3}(CMe{sub 3}){sub 2}-2,6)(OC{sub 6}H{sub 3}(CMe{sub 3}){sub 2}-2,6)(THF)]{sub 2} (7). For all but 2, the X-ray crystal structures were solved as discrete dinuclear units bridged by alkoxide ligands and either terminal -NR{sub 2} or -OR ligands depending on the stoichiometry of the initial reaction. For 2, a trinuclear species was isolated using four {mu}-OR and two terminal -NR{sub 2} ligands. The coordination of the Cd metal center varied from 3 to 5 where the higher coordination numbers were achieved by binding Lewis basic solvents for the less sterically demanding ligands. These complexes were further characterized in solution by {sup 1}H, {sup 13}C, and {sup 113}Cd NMR along with solid-state {sup 113}Cd NMR spectroscopy. The utility of these complexes as 'alternative precursors' for the controlled preparation of nanocrystalline CdS, CdSe, and CdTe was explored. To synthesize CdE nanocrystals, select species from this family of compounds were individually heated in a coordinating solvent (trioctylphosphine oxide) and then injected with the appropriate chalcogenide stock solution. Transmission electron spectroscopy and UV-vis spectroscopy were used to characterize the resultant particles.

This paper presents a three-dimensional generalization of the bridging scale concurrent method, a finite temperature multiple scale method that couples molecular dynamics (MD) to finite elements (FE). The generalizations include the numerical calculation of the boundary condition acting upon the reduced MD region, as such boundary conditions are analytically intractable for realistic three-dimensional crystal structures. The formulation retains key advantages emphasized in previous papers, particularly the compact size of the resulting time history kernel matrix. The coupled FE and reduced MD equations of motion are used to analyze dynamic fracture in a three-dimensional FCC lattice, where interesting physical phenomena such as crack branching are seen. The multiple scale results are further compared to benchmark MD simulations for verification purposes.

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The junction temperature of AlGaN/GaN ultraviolet (UV) Light-Emitting Diodes (LEDs) emitting at 295 nm is measured by using the temperature coefficients of the diode forward volt-age and emission peak energy. The high-energy slope of the spectrum is explored to measure the carrier temperature. A linear relation between junction temperature and current is found. Analysis of the experimental methods reveals that the diode-forward voltage is the most accurate method (,,b 3 ,,aC). A theoretical model for the dependence of the diode junction voltage (Vj) on junction temperature (T) is developed that takes into account the temperature dependence of the energy gap. A thermal resistance of 87.6 K/W is obtained with the AlGaN/GaN LED sample mounted with thermal paste on a heat sink.

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Thermal stratification has the potential to reduce pressure-rise rates and allow increased power output for HCCI engines. This paper systematically examines how the amount of thermal stratification of the core of the charge has to be adjusted to avoid excessive knock as the engine speed and fueling rate are increased. This is accomplished by a combination of multi-zone chemical-kinetics modeling and engine experiments, using iso-octane as the fuel. The experiments show that, for a low-residual engine configuration, the pressure traces are self-similar during changes to the engine speed when CA50 is maintained by adjusting the intake temperature. Consequently, the absolute pressure-rise rate measured as bar/ms increases proportionally with the engine speed. As a result, the knocking (ringing) intensity increases drastically with engine speed, unless counteracted by some means. This paper describes how adjustments of the thermal width of the in-cylinder charge can be used to limit the ringing intensity to 5 MW/m2 as both engine speed and fueling are increased. If the thermal width can be tailored without constraints, this enables smooth operation even for combinations of high speed, high load, and combustion phasing close to TDC. Since large alterations of the thermal width of the charge are not always possible, combustion retard is considered to reduce the requirement on the thermal stratification. The results show that combustion retard carries significant potential since it amplifies the benefit of a fixed thermal width. Therefore, the thermal stratification required for operation with an acceptable knocking intensity can be decreased substantially by the use of combustion retard. This enables combinations of high engine speed and high fueling rate even for operation with the naturally occurring thermal stratification. However, very precise control of the combustion phasing will likely be required for such operation.

The solution of the governing steady transport equations for momentum, heat and mass transfer in fluids undergoing non-equilibrium chemical reactions can be extremely challenging. The difficulties arise from both the complexity of the nonlinear solution behavior as well as the nonlinear, coupled, non-symmetric nature of the system of algebraic equations that results from spatial discretization of the PDEs. In this paper, we briefly review progress on developing a stabilized finite element ( FE) capability for numerical solution of these challenging problems. The discussion considers the stabilized FE formulation for the low Mach number Navier-Stokes equations with heat and mass transport with non-equilibrium chemical reactions, and the solution methods necessary for detailed analysis of these complex systems. The solution algorithms include robust nonlinear and linear solution schemes, parameter continuation methods, and linear stability analysis techniques. Our discussion considers computational efficiency, scalability, and some implementation issues of the solution methods. Computational results are presented for a CFD benchmark problem as well as for a number of large-scale, 2D and 3D, engineering transport/reaction applications.

This study investigates algebraic multilevel domain decomposition preconditioners of the Schwarz type for solving linear systems associated with Newton-Krylov methods. The key component of the preconditioner is a coarse approximation based on algebraic multigrid ideas to approximate the global behavior of the linear system. The algebraic multilevel preconditioner is based on an aggressive coarsening graph partitioning of the non-zero block structure of the Jacobian matrix. The scalability of the preconditioner is presented as well as comparisons with a two-level Schwarz preconditioner using a geometric coarse grid operator. These comparisons are obtained on large-scale distributed-memory parallel machines for systems arising from incompressible flow and transport using a stabilized finite element formulation. The results demonstrate the influence of the smoothers and coarse level solvers for a set of 3D example problems. For preconditioners with more than one level, careful attention needs to be given to the balance of robustness and convergence rate for the smoothers and the cost of applying these methods. For properly chosen parameters, the two- and three-level preconditioners are demonstrated to be scalable to 1024 processors.

Least-squares finite-element methods for Darcy flow offer several advantages relative to the mixed-Galerkin method: the avoidance of stability conditions between finite-element spaces, the efficiency of solving symmetric and positive definite systems, and the convenience of using standard, continuous nodal elements for all variables. However, conventional C{sup o} implementations conserve mass only approximately and for this reason they have found limited acceptance in applications where locally conservative velocity fields are of primary interest. In this paper, we show that a properly formulated compatible least-squares method offers the same level of local conservation as a mixed method. The price paid for gaining favourable conservation properties is that one has to give up what is arguably the least important advantage attributed to least-squares finite-element methods: one can no longer use continuous nodal elements for all variables. As an added benefit, compatible least-squares methods inherit the best computational properties of both Galerkin and mixed-Galerkin methods and, in some cases, yield identical results, while offering the advantages of not having to deal with stability conditions and yielding positive definite discrete problems. Numerical results that illustrate our findings are provided.

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The effect of block copolymers on the cocontinuous morphology of 50/50 (w/w) polystyrene (PS)/high density polyethylene (HDPE) blends was investigated using symmetric polystyrene-polyethylene block copolymers (PS-PE) with molecular weights varying from 6 to 200 kg/mol. The coarsening rate during annealing was compared to the Doi-Ohta theory. An intermediate molecular weight PS-PE, 40 kg/mol, showed remarkable results in reducing the phase size and stabilizing the blend morphology during annealing. Mixing small amounts of 6, 100 or 200 kg/mol PS-PE in the blend did not reduce the phase size significantly, but did decrease the coarsening rate during annealing. In stabilizing the morphology, 6 kg/mol PS-PE was inferior to 100 and 200 kg/mol. The existence of an optimal molecular weight block copolymer is due to a balance between the ability of the block copolymer to reach the interface and its relative stabilization effect at the interface.

We present nanometer-scale resolution, ballistic electron emission microscopy (BEEM) studies of Au/octanedithiol/n-GaAs (001) diodes. The presence of the molecule dramatically increases the BEEM threshold voltage and displays an unusual transport signature as compared to reference Au/GaAs diodes. Furthermore, BEEM images indicate laterally inhomogeneous interfacial structure. We present calculations that address the role of the molecular layer at the interface. Our results indicate that spatially resolved measurements add new insight to studies using conventional spatial-averaging techniques.

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The enthalpies of formation of hydrotalcite-like phases containing Mg and Al and intercalated with NO{sub 3}{sup -}, Cl{sup -}, I{sup -}, ReO{sub 4}{sup -}, or CO{sub 3}{sup 2-} were determined using high-temperature oxide melt and room-temperature acid solution calorimetry. The relative stability of phases bearing the various anions was gauged by comparing the enthalpy of formation from the single-cation components ({Delta}{sub f}H{sup scc}). Trends relating {Delta}{sub f}H{sup scc} to the nature of intercalating anions (halides, NO{sub 3}{sup -}, and CO{sub 3}{sup 2-}) show small stabilization from the mechanical mixtures of single-cation components. The aim of this study was to relate the enthalpy of formation to the nature of interlayer bonding in hydrotalcite-like compounds (HTLCs) bearing various anions, to uncover trends in the relative aqueous solubilities of these phases. The entropy of formation of these compounds was estimated using an approximation based on third-law entropy measurements for the compound Mg{sub 0.74}Al{sub 0.26}(OH){sub 2}(CO{sub 3}){sub 0.13} {center_dot} 0.39H{sub 2}O which were performed in a previous study. This approximation for the third-law entropy was combined with the enthalpy data from our calorimetric measurements performed in this work in order to calculate the standard-state free energy of formation for the HTLCs. The solubility products for the compounds investigated in this study were calculated from these free energies of formation and were used in geochemical calculations. The results of these calculations support our previous hypothesis that carbonate-intercalated HTLCs are less soluble than phases bearing other anions such as nitrates and halides. We suspect that the solubilities of HTLCs bearing anions other than carbonate may correspond to the solubilities of single-cation phases bearing the same anions.

A finite control volume numerical model was used to estimate the relative magnitude of natural convection and radiation in small enclosures with a cylindrical obstruction. The enclosure had a height of 2.54 cm, widths between 5.08 cm and 10.16 cm, depth of 5.08 cm, and obstruction diameters between 0.51 cm and 1.52 cm. Temperatures ranging from 310 K to 1275 K were placed on the right boundary. These temperatures represented heating from a pool fuel fire. Simulations were run for an hour to determine the temperature response inside the enclosure and obstruction. Another simulation was run where the right boundary temperature was stepped by 40 K/min to represent a transient temperature ramp up from a fire. When two conditions are met, natural convection can be ignored, and only enclosure radiation is necessary for reaching a solution within 10% of results when all heat transfer modes are included. These conditions are when the right boundary temperatures are continuously above 800 K or when the temperature change was 40 K/min or more.

Molecular electronic based chemical vapor sensors were assembled using noble metal nanoparticles and short conjugated phenylene ethynylene (PE) based molecules. Sacrificial capping ligands on the nanoparticles were replaced by tighter binding PE ligands. The films were assembled between pairs of electrodes by iteratively exposing the substrates to solutions of the nanoparticles and PE crosslinking bridging ligands. Some of the conjugated bridging molecules contained an electron deficient phenol to provide a simple platform for developing sensor applications. The phenol is calculated to have a significant change in its HOMO/LUMO gap in the presence of specific analytes. Judicious combination of nanoparticle size and ligand structure provides a film in which the organic bridging ligands dramatically affect film conductance. Specifically, π-conjugated ligands lower resistance more in films with smaller nanoparticles. Thus the sensing mechanism of these films is not based on the typical swelling mechanism but rather on the modulation of the molecular electronic structure of the conducting PE bridging ligands.

Resonant tunneling diodes (RTDs) are ultra-small semiconductor devices that have potential as very high frequency oscillators. To describe the electron transport within these devices, the Wigner-Poisson Equations are used. These equations incorporate quantum mechanics to describe how the electron distribution changes in time due to kinetic energy, potential energy, and scattering effects. To study the RTD, we apply numerical continuation methods to calculate the steady-state electron distribution as the voltage difference across the RTD varies. To implement the continuation methods, the RTD simulator is interfaced to LOCA (Library of Continuation Algorithm), a software library that is a part of Sandia National Laboratories' parallel solver package, Trilinos. With more sophisticated numerical solvers, we are able to calculate solutions on finer grids that were previously too computationally intensive. This is very important to allow for detailed studies of correlation effects which may dramatically influence oscillatory behavior in RTD-based devices. The more accurate results derived from this work reveal new physical effects that were absent in prior studies. Hence, these physics-based and more refined numerical simulations will provide new insights and greatly facilitate the future optimization of RTD-based oscillator sources and thus has important relevance to THz-frequency-regime based spectroscopic sensing technology.

An AlGaN Light-emitting diode (LED) emitting with a peak wavelength at 291 nm and a radiant power of 0.5 mW @ 100 mA was fabricated on a sapphire substrate. A compact gated fluorescence detection system was built using this LED as the excitation light source. We demonstrate that it provides sufficient power using Terbium enhanced fluorescence to detect subnanomolar concentrations of dipicolinic acid (DPA, 2, 6-pyridinedicarboxylic acid), a substance uniquely present in bacterial spores such as that from B. anthracis, providing a basis for convenient early warning detectors. We also describe initial results from a novel approach for biological aerosol detection using long lived fluorescence from a Europium tagged dye that binds to proteins.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Magnetotransport properties are studied in a high-mobility 2DES in the strained Si quantum well. We observe around ν = 1/2 the two-flux composite fermion (CF2) series of the FQHE states at ν = 2/3, 3/5, 4/7, and at ν = 4/9, 2/5, 1/3. Of the CF series, the ν = 3/5 state is weaker than the nearby 4/7 state and the 3/7 state is missing, resembling the observation that the ν = 3 is weaker than the ν = 4 state. Our data indicate that the CF model still applies for the multivalley Si/SiGe system when taking into account the two-fold valley degeneracy. © World Scientific Publishing Company.

Laser Engineered Net Shaping (LENS) is being evaluated for use as a metal component repair/modification process for the NWC. An aspect of the evaluation is to better understand the characteristics of the interface between LENS deposited material and the substrate on which it is deposited. A processing and metallurgical evaluation was made on LENS processed material fabricated for component qualification tests. A process parameter evaluation was used to determine optimum build parameters and these parameters were used in the fabrication of tensile test specimens to study the characteristics of the interface between LENS deposited material and several types of substrates. Analyses of the interface included mechanical properties, microstructure, and metallurgical integrity. Test samples were determined for a variety of geometric configurations associated with interfaces between LENS deposited material and both wrought base material and previously deposited LENS material. Thirteen different interface configurations were fabricated for evaluation representing a spectrum of deposition conditions from complete part build, to hybrid substrate-LENS builds, to repair builds for damaged or re-designed housings. Good mechanical properties and full density were observed for all configurations. When tested to failure, fracture occurred by ductile microvoid coalescence. The repair and hybrid interfaces showed the same metallurgical integrity as, and had properties similar to, monolithic LENS deposits.

We present a novel class of dynamic neural networks that is capable of learning, in an unsupervised manner, attractors that correspond to generalities in a data set. Upon presentation of a test stimulus, the networks follow a sequence of attractors that correspond to subsets of increasing size or generality in the original data set. The networks, inspired by those of the insect antennal lobe, build upon a modified Hopfield network in which nodes are periodically suppressed, global inhibition is gradually strengthened, and the weight of input neurons is gradually decreased relative to recurrent connections. This allows the networks to converge on a Hopfield network's equilibrium within each suppression cycle, and to switch between attractors in between cycles. The fast mutually reinforcing excitatory connections that dominate dynamics within cycles ensures the robust error-tolerant behavior that characterizes Hopfield networks. The cyclic inhibition releases the network from what would otherwise be stable equilibriums or attractors. Increasing global inhibition and decreasing dependence on the input leads successive attractors to differ, and to display increasing generality. As the network is faced with stronger inhibition, only neurons connected with stronger mutually excitatory connections will remain on; successive attractors will consist of sets of neurons that are more strongly correlated, and will tend to select increasingly generic characteristics of the data. Using artificial data, we were able to identify configurations of the network that appeared to produce a sequence of increasingly general results. The next logical steps are to apply these networks to suitable real-world data that can be characterized by a hierarchy of increasing generality and observe the network's performance. This report describes the work, data, and results, the current understanding of the results, and how the work could be continued. The code, data, and preliminary results are included and are available as an archive.

Relationships to determine the probability that a weak link (WL)/strong link (SL) safety system will fail to function as intended in a fire environment are investigated. In the systems under study, failure of the WL system before failure of the SL system is intended to render the overall system inoperational and thus prevent the possible occurrence of accidents with potentially serious consequences. Formal developments of the probability that the WL system fails to deactivate the overall system before failure of the SL system (i.e., the probability of loss of assured safety, PLOAS) are presented for several WWSL configurations: (i) one WL, one SL, (ii) multiple WLs, multiple SLs with failure of any SL before any WL constituting failure of the safety system, (iii) multiple WLs, multiple SLs with failure of all SLs before any WL constituting failure of the safety system, and (iv) multiple WLs, multiple SLs and multiple sublinks in each SL with failure of any sublink constituting failure of the associated SL and failure of all SLs before failure of any WL constituting failure of the safety system. The indicated probabilities derive from time-dependent temperatures in the WL/SL system and variability (i.e., aleatory uncertainty) in the temperatures at which the individual components of this system fail and are formally defined as multidimensional integrals. Numerical procedures based on quadrature (i.e., trapezoidal rule, Simpson's rule) and also on Monte Carlo techniques (i.e., simple random sampling, importance sampling) are described and illustrated for the evaluation of these integrals. Example uncertainty and sensitivity analyses for PLOAS involving the representation of uncertainty (i.e., epistemic uncertainty) with probability theory and also with evidence theory are presented.

Several ingredients being considered by the U.S. Army for the development of new insensitive munitions have been examined. One set of ingredients consists of 2,4-dinitrophenylhydrazine (DNPH) and hexahydro-1,3,5-trinitro-s-triazine (RDX). In this set, the decomposition of the mixture was examined to determine whether adding DNPH to RDX would generate a sufficient quantity of gas to rupture the case of a munition prior to the onset of the rapid reaction of RDX, thus mitigating the violence of reaction. The second set of ingredients consists of three different reduced sensitivity RDX (RS-RDX) powders manufactured by SNPE and Dyno-Nobel. In this set, the objective was to determine properties of RS-RDX powders that may distinguish them from normal RDX powder and may account for their reduced shock sensitivity. The decomposition reactions and sublimation properties of these materials were examined using two unique instruments: the simultaneous thermogravimetric modulated beam mass spectrometry (STMBMS) instrument and the Fourier Transform ion cyclotron resonance (FTICR) mass spectrometry instrument. These instruments provide the capability to examine the details of decomposition reactions in energetic materials. DNPH does not appear to be a good candidate to mitigate the violence of the RDX reaction in a munition. DNPH decomposes between 170 C and 180 C. When mixed with RDX it decomposes between 155 C and 170 C. It decomposes to form 1,3-dintrobenzene (DNB), ammonia, water and nitrogen. Of these compounds only nitrogen and ammonia are capable of generating high pressures within a munition. When DNPH is mixed with RDX, the DNB formed in the decomposition of DNPH interacts with RDX on the surface of the RDX powder leading to a higher rate of formation of CH2O and N2O. The CH2O is consumed by reaction with DNPH to form 2-methylene-1-(2,4-dintrophenyl)hydrazine. As a result, DNPH does not generate a large quantity of gas that will lead to rupture of a munition case. Another compound to consider as an additive is 2-oxo-1,3,5-trinitro-1,3,5-triazacyclohexane (K-6), which generates more gas in the required temperature range. Examination of several different RS-RDX materials has shown that their sublimation rates and decomposition behavior differ from Holston grade RDX. The results suggest that insensitive RDX materials from both SNPE and Dyno-Nobel may have a shell-like structure of RDX on the surface of the particles that is less stable and more reactive than the material in the core of the particles. The origin of this shell-like RDX structure is uncertain, but may be due to some aspect of the manufacturing process. It is possible that this less stable RDX on the surface of the particles may be more fluid than the interior of the particles, allowing more slip between the surface of the particles under impact or shock. This may play a role in the reduced shock sensitivity of the insensitive RDX materials. The results of over 50 experiments with DNPH, mixtures of DNPH and RDX and insensitive RDX are presented. The results characterize the decomposition behavior of each of these materials.

We developed an Augmented Musculature Device (AMD) that assists the movements of its wearer. It has direct application to aiding military and law enforcement personnel, the neurologically impaired, or those requiring any type of cybernetic assistance. The AMD consists of a collection of artificial muscles, each individually actuated, strategically placed along the surface of the human body. The actuators employed by the AMD are known as 'air muscles' and operate pneumatically. They are commercially available from several vendors and are relatively inexpensive. They have a remarkably high force-to-weight ratio--as high as 400:1 (as compared with 16:1 typical of DC motors). They are flexible and elastic, even when powered, making them ideal for interaction with humans.

An initial cost analysis of a proposed desalination process was performed. The proposed process utilizes tailored inorganic ion exchangers, hydrotalcite and permutite, to sequester anions and cations from a brackish water solution. Three different process scenarios were considered: (1) disposal of the spent exchangers as dry waste (2) conventional chemical regeneration, and (3) acid regeneration of permutite coupled with thermal (550 C) regeneration of hydrotalcite. Disposal of the resin and conventional regeneration are not viable options from an economic standpoint. Applying limited data and optimistic assumptions to the third scenario yielded an estimate of $2.34/kgal of product water. Published values for applying conventional reverse osmosis to similar water streams range from $0.70 to $2.65/kgal. Consistent with these baseline values, the Water Treatment Estimation Routine, WaTER, developed by the United States Department of the Interior, Bureau of Reclamation produced a cost estimate of $1.16/kgal for brackish water reverse osmosis.

The challenge of modeling the organization and function of biological membranes on a solid support has received considerable attention in recent years, primarily driven by potential applications in biosensor design. Affinity-based biosensors show great promise for extremely sensitive detection of BW agents and toxins. Receptor molecules have been successfully incorporated into phospholipid bilayers supported on sensing platforms. However, a collective body of data detailing a mechanistic understanding of membrane processes involved in receptor-substrate interactions and the competition between localized perturbations and delocalized responses resulting in reorganization of transmembrane protein structure, has yet to be produced. This report describes a systematic procedure to develop detailed correlation between (recognition-induced) protein restructuring and function of a ligand gated ion channel by combining single molecule fluorescence spectroscopy and single channel current recordings. This document is divided into three sections: (1) reported are the thermodynamics and diffusion properties of gramicidin using single molecule fluorescence imaging and (2) preliminary work on the 5HT{sub 3} serotonin receptor. Thirdly, we describe the design and fabrication of a miniaturized platform using the concepts of these two technologies (spectroscopic and single channel electrochemical techniques) for single molecule analysis, with a longer term goal of using the physical and electronic changes caused by a specific molecular recognition event as a transduction pathway in affinity based biosensors for biotoxin detection.

A mesoscale low-loss LIGA-micromachined conductor-backed coplanar waveguide is presented. The 517 {micro}m lines are the tallest uniplanar LIGA-fabricated microwave transmission lines to date, as well as the first to be constructed of copper rather than nickel. The conductor-backed micromachined CPW on quartz achieves a measured attenuation of 0.064 dB/cm at 15.5 GHz.

A unique composite nanoscale architecture that combines the self-organization and molecular dynamics of lipid membranes with a corrugated nanotextured silicon wafer was prepared and characterized with fluorescence microscopy and scanning probe microscopy. The goal of this project was to understand how such structures can be assembled for supported membrane research and how the interfacial interactions between the solid substrate and the soft, self-assembled material create unique physical and mechanical behavior through the confinement of phases in the membrane. The nanometer scale structure of the silicon wafer was produced through interference lithography followed by anisotropic wet etching. For the present study, a line pattern with 100 nm line widths, 200 nm depth and a pitch of 360 nm pitch was fabricated. Lipid membranes were successfully adsorbed on the structured silicon surface via membrane fusion techniques. The surface topology of the bilayer-Si structure was imaged using in situ tapping mode atomic force microscopy (AFM). The membrane was observed to drape over the silicon structure producing an undulated topology with amplitude of 40 nm that matched the 360 nm pitch of the silicon structure. Fluorescence recovery after photobleaching (FRAP) experiments found that on the microscale those same structures exhibit anisotropic lipid mobility that was coincident with the silicon substructure. The results showed that while the lipid membrane maintains much of its self-assembled structure in the composite architecture, the silicon substructure indeed influences the dynamics of the molecular motion within the membrane.

We have concluded a laboratory study to evaluate the survival potential of polymeric materials used for lost circulation plugs in geothermal wells. We learned early in the study that these materials were susceptible to hydrolysis. Through a systematic program in which many potential chemical combinations were evaluated, polymers were developed which tolerated hydrolysis for eight weeks at 500 F. The polymers also met material, handling, cost, and emplacement criteria. This screening process identified the most promising materials. A benefit of this work is that the components of the polymers developed can be mixed at the surface and pumped downhole through a single hose. Further strength testing is required to determine precisely the maximum temperature at which extrusion through fractures or voids causes failure of the lost circulation plug.

This plan describes the process for managing research generated medical waste at Sandia National Laboratories/California. It applies to operations at the Chemical and Radiation Detection Laboratory (CRDL), Building 968, and other biosafety level 1 or 2 activities at the site. It addresses the accumulation, storage, treatment and disposal of medical waste and sharps waste. It also describes the procedures to comply with regulatory requirements and SNL policies applicable to medical waste.

Abstract not provided.

Having demonstrated the possibility of constructing nanoscale metallic vehicular bodies as described in last year's proposal, our goals have been to make uniform preparations of the metallized lipid assemblies and to determine the feasibility of powering these nanostructures with biological motors that are activated and driven by visible light. We desired that the propulsion system be constructed entirely by self-assembly and powered by a photocatalytic process partially already built into the nanovehicle. The nanovehicle we desire to build is composed of both natural biological components (ATPase, kinesin-microtubules) and biomimetic components (platinized liposomes, photosynthetic membrane) as functional units. The vehicle's body was originally envisioned to be composed of a surfactant liposomal bilayer coated with platinum nanoparticles, but instead of the expected nanoparticles we were able to grow dendritic 2-nm thick platinum sheets on the liposomes. Now, we have shown that it is possible to completely enclose the liposomes with sheeting to form porous platinum spheres, which show good structural stability as evidenced by their ability to survive the stresses of electron-microscopy sample preparation. Our goals were to control the synthesis of the platinized liposomes well enough to make uniform preparations of the coated individual liposomes and to develop the propulsion system for these nanovehicles a hydrogen-evolving artificial photosynthetic system in the liposomal bilayer that generates the pH gradient across the membrane that is necessary to drive the synthesis of ATP by ATP-synthase incorporated in the membrane. ATP produced would fuel the molecular motor (kinesin) attached to the vehicle, needing only light, storable ADP, phosphate, and an electron donor to be produced by ATP-synthase in the membrane. These research goals appear to be attainable, but growing the uniform preparations of the liposomes coated with dendritic platinum sheeting, a necessary accomplishment that would simplify the task of incorporating and verifying the photosynthetic function of the nanovehicle membrane, has proved to be difficult. The detailed understanding of the relative locations of surfactant and Pt in the liposomal bodies has also forced a change in the nanovehicle design strategies. Nevertheless, we have found no insurmountable obstacles to making these nanovehicles given a larger and longer term research effort. These nanovehicles could potentially respond to chemical gradients, light intensity, and field gradients, in the same manner that magnetic bacteria navigate. The cargo might include decision-making and guidance components, drugs and other biological and chemical agents, explosives, catalytic reactors, and structural materials.

As composites gain wider acceptance in all sectors of the economy, new methodologies must be developed to increase their cost effectiveness in manufacturing. The neoteric Resin Infusion between Double Flexible Tooling (RIDFT) process is undergoing modifications to improve its cost-effectiveness by developing methodologies for in-mold coating and the incorporation of UV curing. In-mold coating is desired by the composites industry since it eliminates the current paint process, which is not only laborious and time consuming, but expensive, and presents safety issues. Two methodologies (paint films and coinfusion) for implementing in-mold coating were investigated. It was demonstrated that thermoformable paint films could be used to produce coated RIDFTed components. Coinfusion was also successfully implemented. This work also investigated the feasibility of designing and incorporating a Cure on Demand system into the RIDFT process, using ultraviolet (UV) light for the curing of composite laminates. The objective was to develop a process for the RIDFT that would eliminate or reduce the inflexibility in the current production process, resulting in shortened production cycle times. UV-cured laminates were produced at a fraction of the time required to produce catalyst-cured laminates. Mechanical and material characterization tests were performed on each of the UV-cured laminates produced. The results were referenced against those obtained for laminates produced using a catalyst curing system to determine their overall quality. The UV-cured laminates, after undergoing tensile and rheological thermal tests, were found to have mechanical and material properties comparable, or in a few instances slightly better, than that of thermally cured laminates.

This white paper represents a summary of work intended to lay the foundation for development of a climatological/agent model of climate-induced conflict. The paper combines several loosely-coupled efforts and is the final report for a four-month late-start Laboratory Directed Research and Development (LDRD) project funded by the Advanced Concepts Group (ACG). The project involved contributions by many participants having diverse areas of expertise, with the common goal of learning how to tie together the physical and human causes and consequences of climate change. We performed a review of relevant literature on conflict arising from environmental scarcity. Rather than simply reviewing the previous work, we actively collected data from the referenced sources, reproduced some of the work, and explored alternative models. We used the unfolding crisis in Darfur (western Sudan) as a case study of conflict related to or triggered by climate change, and as an exercise for developing a preliminary concept map. We also outlined a plan for implementing agents in a climate model and defined a logical progression toward the ultimate goal of running both types of models simultaneously in a two-way feedback mode, where the behavior of agents influences the climate and climate change affects the agents. Finally, we offer some ''lessons learned'' in attempting to keep a diverse and geographically dispersed group working together by using Web-based collaborative tools.

Abstract not provided.

Two major research areas pertinent to microelectromechanical systems (MEMS) materials and material surfaces were explored and developed in this 5-year PECASE LDRD project carried out by Professor Roya Maboudian and her collaborators at the University of California at Berkeley. In the first research area, polycrystalline silicon carbide (poly-SiC) was developed as a structural material for MEMS. This material is potentially interesting for MEMS because compared to polycrystalline silicon (polysilicon), the structural material in Sandia National Laboratories' SUMMiTV process, it may exhibit high wear resistance, high temperature operation and a high Young's modulus to density ratio. Each of these characteristics may extend the usefulness of MEMS in Sandia National Laboratories' applications. For example, using polycrystalline silicon, wear is an important issue in microengines, temperature degradation is of concern in thermal actuators and the characteristics of resonators can be extended with the same lithography technology. Two methods of depositing poly-SiC from a 1,3-disilabutane source at 650 C to 800 C by low-pressure chemical vapor deposition (LPCVD) were demonstrated. These include a blanket method in which the material is made entirely out of poly-SiC and a method to coat previously released and fabricated polysilicon MEMS. This deposition method is much simpler to use than previous methods such as high temperature LPCVD and atmospheric CVD. Other major processing issues that were surmounted in this LDRD with the poly-SiC film include etching, doping, and residual strain control. SiC is inert and as such is notoriously difficult to etch. Here, an HBr-based chemistry was demonstrated for the first time to make highly selective etching of SiC at high etch rates. Nitrogen was incorporated from an NH3 gas source, resulting in high conductivity films. Residual strain and strain gradient were shown to depend on deposition parameters, and can be made negative or positive. The tribology of poly-SiC was also investigated. Much improved release stiction and in-use stiction performance relative to polysilicon MEMS was found. Furthermore, wear of poly-SiC-coated MEMS was much reduced relative to uncoated polysilicon MEMS. A prototype baseline process flow now exists to produce poly-SiC in the Berkeley Sensor and Actuator (BSAC) facility. In the second project, galvanic deposition of metals onto polysilicon surfaces has been developed. The possible applications include reflective and optical coatings for optical MEMS, microswitches and microrelays for radio frequency MEMS and catalytic surfaces for microchemical reactors. In contrast to electroless deposition, galvanic displacement deposition requires no prior activation of the surface and is truly selective to silicon surfaces. This approach was used to deposit copper, gold and rhodium onto polysilicon MEMS. A method to study the adhesion of these metals to polysilicon was developed. It was also shown that the surfaces could be rendered hydrophobic by applying thiol-based self-assembled monolayers. This procedure also lowered their surface energy to {approx}3 {micro}J/m{sup 2}, consistent with monolayer-coated polysilicon MEMS.

This document, which is prepared as directed by the Compliance Order on Consent (COOC) issued by the New Mexico Environment Department, outlines a process to evaluate remedial alternatives to identify a corrective measure for the Sandia National Laboratories Tijeras Arroyo Groundwater (TAG). The COOC provides guidance for implementation of a Corrective Measures Evaluation (CME) for TAG. This Work Plan documents an initial screening of remedial technologies and presents a list of possible remedial alternatives for those technologies that passed the screening. This Work Plan outlines the methods for evaluating these remedial alternatives and describes possible site-specific evaluation activities necessary to estimate remedy effectiveness and cost. These methods will be reported in the CME Report. This Work Plan outlines the CME Report, including key components and a description of the corrective measures process.

This document, which is prepared as directed by the Compliance Order on Consent (COOC) issued by the New Mexico Environment Department, identifies and outlines a process to evaluate remedial alternatives to identify a corrective measure for the Sandia National Laboratories/New Mexico Technical Area (TA)-V Groundwater. The COOC provides guidance for implementation of a Corrective Measures Evaluation (CME) for the TA-V Groundwater. This Work Plan documents an initial screening of remedial technologies and presents a list of possible remedial alternatives for those technologies that passed the screening. This Work Plan outlines the methods for evaluating these remedial alternatives and describes possible site-specific evaluation activities necessary to estimate remedy effectiveness and cost. These methods will be reported in the CME Report. This Work Plan outlines the CME Report, including key components and a description of the corrective measures process.

This Guide describes a high level, technology-neutral framework for assessing potential benefits from and economic market potential for energy storage used for electric utility-related applications. In the United States use of electricity storage to support and optimize transmission and distribution (T&D) services has been limited due to high storage system cost and by limited experience with storage system design and operation. Recent improvement of energy storage and power electronics technologies, coupled with changes in the electricity marketplace, indicate an era of expanding opportunity for electricity storage as a cost-effective electric resource. Some recent developments (in no particular order) that drive the opportunity include: (1) states adoption of the renewables portfolio standard (RPS), which may increased use of renewable generation with intermittent output, (2) financial risk leading to limited investment in new transmission capacity, coupled with increasing congestion on some transmission lines, (3) regional peaking generation capacity constraints, and (4) increasing emphasis on locational marginal pricing (LMP).

Nano-electromechanical oscillators (NEMOs), capacitively-coupled radio frequency (RF) MEMS switches incorporating dissipative dielectrics, new processing technologies for tetrahedral amorphous carbon (ta-C) films, and scientific understanding of dissipation mechanisms in small mechanical structures were developed in this project. NEMOs are defined as mechanical oscillators with critical dimensions of 50 nm or less and resonance frequencies approaching 1 GHz. Target applications for these devices include simple, inexpensive clocks in electrical circuits, passive RF electrical filters, or platforms for sensor arrays. Ta-C NEMO arrays were used to demonstrate a novel optomechanical structure that shows remarkable sensitivity to small displacements (better than 160 fm/Hz {sup 1/2}) and suitability as an extremely sensitive accelerometer. The RF MEMS capacitively-coupled switches used ta-C as a dissipative dielectric. The devices showed a unipolar switching response to a unipolar stimulus, indicating the absence of significant dielectric charging, which has historically been the major reliability issue with these switches. This technology is promising for the development of reliable, low-power RF switches. An excimer laser annealing process was developed that permits full in-plane stress relaxation in ta-C films in air under ambient conditions, permitting the application of stress-reduced ta-C films in areas where low thermal budget is required, e.g. MEMS integration with pre-existing CMOS electronics. Studies of mechanical dissipation in micro- and nano-scale ta-C mechanical oscillators at room temperature revealed that mechanical losses are limited by dissipation associated with mechanical relaxation in a broad spectrum of defects with activation energies for mechanical relaxation ranging from 0.35 eV to over 0.55 eV. This work has established a foundation for the creation of devices based on nanomechanical structures, and outstanding critical research areas that need to be addressed for the successful application of these technologies have been identified.

On September 14-16, 2004, the Advanced Concepts Group of Sandia National Laboratories in conjunction with the University of Texas at El Paso and the North American Institute hosted a workshop (fest) designed to explore the concept of a North American continental approach to countering terrorism. The fest began with the basic premise that the successful defense of North America against the threat of terrorism will require close collaboration among the North American allies--Canada, Mexico and the U.S.--as well as a powerful set of information collection and analysis tools and deterrence strategies. The NorthAm Fest recast the notion of ''homeland defense'' as a tri-national effort to protect the North American continent against an evolving threat that respects no borders. This is a report of the event summarizing the ideas explored. The fest examined the uniqueness of dealing with terrorism from a tri-national North American viewpoint, the role and possible features of joint security systems, concepts for ideal continental security systems for North America, and the challenges and opportunities for such systems to become reality. The following issues were identified as most important for the advancement of this concept. (1) The three countries share a set of core values--democracy, prosperity and security--which form the basis for joint interactions and allow for the development of a culture of cooperation without affecting the sovereignty of the members. (2) The creation of a continental defensive strategy will require a set of strategic guidelines and that smart secure borders play a pivotal role. (3) Joint security systems will need to operate from a set of complementary but not identical policies and procedures. (4) There is a value in joint task forces for response and shared information systems for the prevention of attacks. (5) The private sector must play a critical role in cross-border interactions. Finally, participants envisioned a ''Tri-National Security Laboratory'' to develop and test new counter-terrorism technologies and processes. The fest was an important first step in developing a tri-national approach to continental security and very different approaches to countering terrorism were explored. Participants came to the conclusion that continental security would be easier to achieve if the focus were on broader security issues, such as transnational crime, with terrorism being only a part of the focus. A series of fledgling relationships were begun between individuals and organizations through which actions can occur. A first commitment is the publication by a set of participants representing the three countries of a joint paper outlining the elements of a Continental Security approach.

The nano electrode arrays for in-situ identification and quantification of chemicals in water progress in four major directions. (1) We developed and engineering three nanoelectrode array designs which operate in a portable field mode or as distributed sensor network for water systems. (2) To replace the fragile glass electrochemical cells using in the lab, we design and engineered field-ready sampling heads that combine the nanoelectrode arrays with a high-speed potentiostat. (3) To utilize these arrays in a portable system we design and engineered a light weight high-speed potentiostat with pulse widths from 2 psec. to 100 msec. or greater. (4) Finally, we developed the parameters for an analytical method in low-conductivity solutions for Pb(II) detection, with initial studies for the analysis of As(III) and As(V) analysis in natural water sources.

The Common Geometry Module (CGM) is a code library which provides geometry functionality used for mesh generation and other applications. This functionality includes that commonly found in solid modeling engines, like geometry creation, query and modification; CGM also includes capabilities not commonly found in solid modeling engines, like geometry decomposition tools and support for shared material interfaces. CGM is built upon the ACIS solid modeling engine, but also includes geometry capability developed beside and on top of ACIS. CGM can be used as-is to provide geometry functionality for codes needing this capability. However, CGM can also be extended using derived classes in C++, allowing the geometric model to serve as the basis for other applications, for example mesh generation. CGM is supported on Sun Solaris, SGI, HP, IBM, DEC, Linux and Windows NT platforms. CGM also includes support for loading ACIS models on parallel computers, using MPI-based communication. Future plans for CGM are to port it to different solid modeling engines, including Pro/Engineer or SolidWorks. CGM is being released into the public domain under an LGPL license; the ACIS-based engine is available to ACIS licensees on request.

While recognized standards exist for the systematic safety analysis of potential spills or releases from LNG (Liquefied Natural Gas) storage terminals and facilities on land, no equivalent set of standards or guidance exists for the evaluation of the safety or consequences from LNG spills over water. Heightened security awareness and energy surety issues have increased industry's and the public's attention to these activities. The report reviews several existing studies of LNG spills with respect to their assumptions, inputs, models, and experimental data. Based on this review and further analysis, the report provides guidance on the appropriateness of models, assumptions, and risk management to address public safety and property relative to a potential LNG spill over water.

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Sandia National Laboratories (SNL) is collaborating with the Awwa Research Foundation (AwwaRF) and WERC (A Consortium for Environmental Education and Technology Development) in a program for the development and testing of innovative technologies that have the potential to substantially reduce the costs associated with arsenic removal from drinking water. Sandia National Laboratories will administer contracts placed with AwwaRF and WERC to carry out bench scale studies and economic analyses/outreach activities, respectively. The elements of the AwwaRF program include (1) identification of new technologies, (2) proof-of-concept laboratory studies and, (3) a research program that will meet the other needs of small utilities by providing solutions to small utilities so that they may successfully meet the new arsenic MCL. WERC's activities will include development of an economic analysis tool for Pilot Scale Demonstrations and development of educational training and technical assistance tools. The objective of the Sandia Program is the field demonstration testing of innovative technologies. The primary deliverables of the Sandia program will be engineering analyses of candidate technologies; these will be contained in preliminary reports and final analysis reports. Projected scale-up costs will be generated using a cost model provided by WERC or another suitable model.

Recent world events have underscored the need for a satellite based persistent global surveillance capability. To be useful, the satellite must be able to continuously monitor objects the size of a person anywhere on the globe and do so at a low cost. One way to satisfy these requirements involves a constellation of satellites in low earth orbit capable of resolving a spot on the order of 20 cm. To reduce cost of deployment, such a system must be dramatically lighter than a traditional satellite surveillance system with a high spatial resolution. The key to meeting this requirement is a lightweight optics system with a deformable primary and secondary mirrors and an adaptive optic subsystem correction of wavefront distortion. This proposal is concerned with development of MEMS micromirrors for correction of aberrations in the primary mirror and improvement of image quality, thus reducing the optical requirements on the deployable mirrors. To meet this challenge, MEMS micromirrors must meet stringent criteria on their performance in terms of flatness, roughness and resolution of position. Using Sandia's SUMMIT foundry which provides the world's most sophisticated surface MEMS technology as well as novel designs optimized by finite element analysis will meet severe requirements on mirror travel range and accuracy.

Subsurface geological investigations have been conducted at two large playa lakes at the Tonopah Test Range in central Nevada. These characterization activities were intended to provide basic stratigraphic-framework information regarding the lateral distribution of ''hard'' and ''soft'' sedimentary materials for use in defining suitable target regions for penetration testing. Both downhole geophysical measurements and macroscopic lithilogic descriptions were used as a surrogate for quantitative mechanical-strength properties, although some quantitative laboratory strength measurements were obtained as well. Both rotary (71) and core (19) holes on a systematic grid were drilled in the southern half of the Main Lake; drill hole spacings are 300 ft north-south and 500-ft east-west. The drilled region overlaps a previous cone-penetrometer survey that also addressed the distribution of hard and soft material. Holes were drilled to a depth of 40 ft and logged using both geologic examination and down-hole geophysical surveying. The data identify a large complex of very coarse-grained sediment (clasts up to 8 mm) with interbedded finer-grained sands, silts and clays, underlying a fairly uniform layer of silty clay 6 to 12 ft thick. Geophysical densities of the course-grained materials exceed 2.0 g/cm{sup 2}, and this petrophysical value appears to be a valid discriminator of hard vs. soft sediments in the subsurface. Thirty-four holes, including both core and rotary drilling, were drilled on a portion of the much larger Antelope Lake. A set of pre-drilling geophysical surveys, including time-domain electromagnetic methods, galvanic resistivity soundings, and terrain-conductivity surveying, was used to identify the gross distribution of conductive and resistive facies with respect to the present lake outline. Conductive areas were postulated to represent softer, clay-rich sediments with larger amounts of contained conductive ground water. Initial drilling, consisting of cored drill holes to 100-ft (33-m) depth, confirmed both the specific surface geophysical measurements and the more general geophysical model of the subsurface lake facies. Good agreement of conductive regions with drill holes containing little to no coarse-grained sediments was observed, and vice-versa. A second phase of grid drilling on approximately 300-ft (100-m) centers was targeted a delineating a region of sufficient size containing essentially no coarse-grained ''hard'' material. Such a region was identified in the southwestern portion of Antelope Lake.

Abstract not provided.

An entirely new class of light-weight reversible hydrides was recently discovered (the Ti-doped alanates)[1]. These NaAIH{sub 4}-based materials have demonstrated reversible hydrogen storage capacities of up to 5 wt%, nearly 4 times the gravimetrically density of commercial metal hydrides. For this reason, they have been considered a breakthrough for hydrogen storage in fuel cell vehicles. This project is the first to publish the use of alanates for the generation of electrical power and the first demonstration of a hydride-fueled elevated-temperature PEM Fuel Cell. Because the kinetics of hydrogen uptake and release by the alanate improves with elevated temperatures, novel concepts were tested for the purpose of developing a highly efficient stand-alone power system. A major focus of this work was on the modeling, design, construction and testing of an integrated fuel cell stack and hydrogen storage system that eliminates the need of complicated heat transfer systems and media. After extensive modeling efforts, a proof-of-concept system was built that employs an integrated fuel cell stack and hydride beds that balancing the generation of fuel cell waste heat with the endothermic release of hydrogen from the alanates. Our demonstration unit was capable of greater than one hour of operation on a single charge of hydrogen from the integrated 173 gram alanate bed. In addition, composite hydride materials with synergistic reaction heats were evaluated and tested to enhance the operational performance of the alanates. The composites provide a unique opportunity to utilize the heat produced from hydriding classic metal hydrides to improve both absorption and desorption rates of the alanates. A particular focus of the mixed storage materials work was to balance the thermodynamics and kinetics of the hydrides for start-up conditions. Modeling of the sorption properties proved invaluable in evaluating the optimum composition of hydrides. The modeling efforts were followed by full validation by experimental measurements. This project successfully completed the proof-of-concept goals and generated a powerful set of tools for optimizing the complete power-generation system. It has also created a new direction for hydrogen power generation as well the potential for new R&D based on this work.

Nuclear weapons and their storage facilities may benefit from in-situ structural health monitoring systems. Appending health-monitoring functionality to conventional materials and structures has been only marginally successful. The purpose of this project was to evaluate feasibility of a new smart material that includes self-sensing health monitoring functions similar to that of a nervous system of a living organism. Reviews of current efforts in the fields of heath-monitoring, nanotechnology, micro-electromechanical systems (MEMS), and wireless sensor networks were conducted. Limitations of the current nanotechnology methods were identified and new approaches were proposed to accelerate the development of self-sensing materials. Wireless networks of MEMS sensors have been researched as possible prototypes of self-sensing materials. Sensor networks were also examined as enabling technologies for dense data collection techniques to be used for validation of numerical methods and material parameter identification. Each grain of the envisioned material contains sensors that are connected in a dendritic manner similar to networks of neurons in a nervous system. Each sensor/neuron can communicate with the neighboring grains. Both the state of the sensor (on/off) and the quality of communication signal (speed/amplitude) should indicate not only a presence of a structural defect but the nature of the defect as well. For example, a failed sensor may represent a through-grain crack, while a lost or degraded communication link may represent an inter-granular crack. A technology to create such material does not exist. While recent progress in the fields of MEMS and nanotechnology allows to envision these new smart materials, it is unrealistic to expect creation of self-sensing materials in the near future. The current state of MEMS, nanotechnology, communication, sensor networks, and data processing technologies indicates that it will take more than ten years for the technologies to mature enough to make self-sensing materials a reality. Nevertheless, recent advances in the field of nanotechnology demonstrate that nanotubes, nanorods, and nanoparticles of carbon, boron and other materials have remarkable mechanical and electrical properties. This would provide. for a plethora of potential applications including self-sensing materials. Record strength-to-weight ratios, ballistic conductivity, and sensing capabilities (i.e., piezo- resistance and piezoelectricity) have been reported for carbon nanotubes. The first transistors, sensors, and actuators have been made from the carbon nanotubes and other nanomaterials. However, nanomaterials are notoriously difficult to manipulate into useful geometries. Nano-manufacturing processes often produce bundles or random networks of nanostructured materials. Samples of the material are then manipulated with advanced microscopy tools to measure properties or to create a single device. This is a laborious and time consuming process. An often overlooked property of the manufactured nanotube bundles is their similarity to the dendritic structure of neural networks with a great quantity of interconnects that may serve as initiation sites for artificial neurons in a self-sensing material nervous system. To accelerate the development of self-sensing materials, future research should concentrate on naturally occurring dendritic nano-structures. While self-sensing materials with subgrain size sensors (scale of micrometers) remain in the realm of basic research, meso-scale (millimeters to centimeters) sensors and their networks are in the state of mature research and have begun to find their way into commercial applications. Macro-scale (centimeters to decimeters) sensors and their networks are commercially available from various sources. The majority of applications that employ sensor networks are driven by the needs of the Department of Defense. Widespread adaptation of sensor networks has been limited by, on one hand, the sensor's high cost of design, development, and deployment, and on the other hand, a lack of reliable long-term power sources. Solutions to both of these drawbacks require significant investments driven by real-life applications. Possible applications for sensor networks at Sandia National Laboratories include dense data collection techniques for validation of numerical methods and material parameter identification. For example, an array of distributed wireless macro-scale sensors can record the structural response of soils and reinforced concrete during explosive loading. Another example is an array of surface mounted micro-sensors that can record the modal response of nuclear weapon components. The collected data would be used to validate existing numerical codes and to identify new physical mechanisms to improve Sandia's computational models.