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Architectures & requirements for advanced weapon controllers

Klarer, Paul R.; Klarer, Paul R.; McMurtrey, Brian J.; Bryan, Jon R.

This report describes work done in FY2003 under Advanced and Exploratory Studies funding for Advanced Weapons Controllers. The contemporary requirements and envisioned missions for nuclear weapons are changing from the class of missions originally envisioned during development of the current stockpile. Technology available today in electronics, computing, and software provides capabilities not practical or even possible 20 years ago. This exploratory work looks at how Weapon Electrical Systems can be improved to accommodate new missions and new technologies while maintaining or improving existing standards in nuclear safety and reliability.

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Multiscale thermal transport

Piekos, Edward S.; Wong, Chungnin C.

A concurrent computational and experimental investigation of thermal transport is performed with the goal of improving understanding of, and predictive capability for, thermal transport in microdevices. The computational component involves Monte Carlo simulation of phonon transport. In these simulations, all acoustic modes are included and their properties are drawn from a realistic dispersion relation. Phonon-phonon and phonon-boundary scattering events are treated independently. A new set of phonon-phonon scattering coefficients are proposed that reflect the elimination of assumptions present in earlier analytical work from the simulation. The experimental component involves steady-state measurement of thermal conductivity on silicon films as thin as 340nm at a range of temperatures. Agreement between the experiment and simulation on single-crystal silicon thin films is excellent, Agreement for polycrystalline films is promising, but significant work remains to be done before predictions can be made confidently. Knowledge gained from these efforts was used to construct improved semiclassical models with the goal of representing microscale effects in existing macroscale codes in a computationally efficient manner.

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Mesoscale wide-bandwidth linear magnetic actuators : an LDRD final report

Jones, Lawrence A.; Jones, Lawrence A.

As MEMS transducers are scaled up in size, the threshold is quickly crossed to where magnetoquasistatic (MQS) transducers are superior for force production compared to electroquasistatic (EQS) transducers. Considerable progress has been made increasing the force output of MEMS EQS transducers, but progress with MEMS MQS transducers has been more modest. A key reason for this has been the difficulty implementing efficient lithographically-fabricated magnetic coil structures. The contribution of this study is a planar multilayer polyphase coil architecture which provides for the lithographic implementation of efficient stator windings suitable for linear magnetic machines. A millimeter-scale linear actuator with complex stator windings was fabricated using this architecture. The stators of the actuator were fabricated using a BCB/Cu process, which does not require replanarization of the wafer between layers. The prototype stator was limited to thin copper layers (3 {micro}m) due to the use of evaporated metal at the time of fabrication. Two layers of metal were implemented in the prototype, but the winding architecture naturally supports additional metal layer pairs. It was found in laboratory tests that the windings can support very high current densities of 4 x 10{sup 9}A/m{sup 2} without damage. Force production normal to the stator was calculated to be 0.54 N/A. For thin stators such as this one, force production increases approximately linearly with the thickness of the windings and a six-layer stator fabricated using a newly implemented electroplated BCB/Cu process (six layers of 15 {micro}m thick metal) is projected to produce approximately 8.8 N/A.

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Laser safety evaluation and output measurements for the VITAL -2 Variable Intensity Tactical Aiming Light (laser) used with the Proforce M-4 system in force-on-force exercises

Augustoni, Arnold L.; Augustoni, Arnold L.

A laser safety hazard evaluation and pertinent output measurements were performed (June 2003 through August 2003) on several VITAL-2 Variable Intensity Tactical Aiming Light--infrared laser, associated with the Proforce M-4 system used in force-on-force exercises. The VITAL-2 contains two diode lasers presenting 'Extended Source' viewing out to a range on the order of 1.3 meters before reverting to a 'Small Source' viewing hazard. Laser hazard evaluation was performed in concert with the ANSI Std. Z136.1-2000 for the safe use of lasers and the ANSI Std. Z136.6-2000 for the safe use of lasers outdoors. The results of the laser hazard analysis for the VITAL-2, indicates that this Tactical Aiming IR laser presents a Class 1 laser hazard to personnel in the area of use. Field measurements performed on 71 units confirmed that the radiant outputs were at all times below the Allowable Emission Limit and that the irradiance of the laser spot was at all locations below the Maximum Exposure Limit. This system is eye-safe and it may be used under current SNL policy in force-on-force exercises. The VITAL-2 Variable Intensity Tactical Aiming Light does not present a laser hazard greater than Class 1, to aided viewing with binoculars.

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Alloying element vaporization during laser spot welding of stainless steel

Proposed for publication in Journal of Physics D.

Fuerschbach, Phillip W.; Fuerschbach, Phillip W.

Alloying element loss from the weld pool during laser spot welding of stainless steel was investigated experimentally and theoretically. The experimental work involved determination of work-piece weight loss and metal vapor composition for various welding conditions. The transient temperature and velocity fields in the weld pool were numerically simulated. The vaporization rates of the alloying elements were modeled using the computed temperature profiles. The fusion zone geometry could be predicted from the transient heat transfer and fluid flow model for various welding conditions. The laser power and the pulse duration were the most important variables in determining the transient temperature profiles. The velocity of the liquid metal in the weld pool increased with time during heating and convection played an increasingly important role in the heat transfer. The peak temperature and velocity increased significantly with laser power density and pulse duration. At very high power densities, the computed temperatures were higher than the boiling point of 304 stainless steel. As a result, evaporation of alloying elements was caused by both the total pressure and the concentration gradients. The calculations showed that the vaporization occurred mainly from a small region under the laser beam where the temperatures were very high. The computed vapor loss was found to be lower than the measured mass loss because of the ejection of tiny metal droplets owing to the recoil force exerted by the metal vapours. The ejection of metal droplets has been predicted by computations and verified by experiments.

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The effects of varying humidity on copper sulfide film formation

Sullivan, John P.; Sullivan, John P.; Barbour, J.C.; Missert, Nancy A.; Copeland, Robert G.; Mayer, T.M.

Detailed experiments involving extensive high resolution transmission electron microscopy (TEM) revealed significant microstructural differences between Cu sulfides formed at low and high relative humidity (RH). It was known from prior experiments that the sulfide grows linearly with time at low RH up to a sulfide thickness approaching or exceeding one micron, while the sulfide initially grows linearly with time at high RH then becomes sub-linear at a sulfide thickness less than about 0.2 microns, with the sulfidation rate eventually approaching zero. TEM measurements of the Cu2S morphology revealed that the Cu2S formed at low RH has large sized grains (75 to greater than 150 nm) that are columnar in structure with sharp, abrupt grain boundaries. In contrast, the Cu2S formed at high RH has small equiaxed grains of 20 to 50 nm in size. Importantly, the small grains formed at high RH have highly disordered grain boundaries with a high concentration of nano-voids. Two-dimensional diffusion modeling was performed to determine whether the existence of localized source terms at the Cu/Cu2S interface could be responsible for the suppression of Cu sulfidation at long times at high RH. The models indicated that the existence of static localized source terms would not predict the complete suppression of growth that was observed. Instead, the models suggest that the diffusion of Cu through Cu2S becomes restricted during Cu2S formation at high RH. The leading speculation is that the extensive voiding that exists at grain boundaries in this material greatly reduces the flux of Cu between grains, leading to a reduction in the rate of sulfide film formation. These experiments provide an approach for adding microstructural information to Cu sulfidation rate computer models. In addition to the microstructural studies, new micro-patterned test structures were developed in this LDRD to offer insight into the point defect structure of Cu2S and to permit measurement of surface reaction rates during Cu sulfidation. The surface reaction rate was measured by creating micropatterned Cu lines of widths ranging from 5 microns to 100 microns. When sulfidized, the edges of the Cu lines show greater sulfidation than the center, an effect known as microloading. Measurement of the sulfidation profile enables an estimate of the ratio of the diffusivity of H2S in the gas phase to the surface reaction rate constant, k. Our measurements indicated that the gas phase diffusivity exceeds k by more than 10, but less than 100. This is consistent with computer simulations of the sulfidation process. Other electrical test structures were developed to measure the electrical conductivity of Cu2S that forms on Cu. This information can be used to determine relative vacancy concentrations in the Cu2S layer as a function of RH. The test structures involved micropatterned Cu disks and thin films, and the initial measurements showed that the electrical approach is feasible for point defect studies in Cu2S.

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A filter-based evolutionary algorithm for constrained optimization

Proposed for publication in Evolutionary Computations.

Hart, William E.

We introduce a filter-based evolutionary algorithm (FEA) for constrained optimization. The filter used by an FEA explicitly imposes the concept of dominance on a partially ordered solution set. We show that the algorithm is provably robust for both linear and nonlinear problems and constraints. FEAs use a finite pattern of mutation offsets, and our analysis is closely related to recent convergence results for pattern search methods. We discuss how properties of this pattern impact the ability of an FEA to converge to a constrained local optimum.

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Scaling relationships for analyzing kinetics in GaN epitaxial lateral overgrowth

Journal of Crystal Growth

Coltrin, Michael E.; Mitchell, Christine C.

In the epitaxial lateral overgrowth of GaN, mass transport and the effects of crystal-growth kinetics lead to a wide range of observed feature growth rates depending on the dimensions of the masked and exposed regions. Based on a simple model, scaling relationships are derived that reveal the dynamic similarity of growth behavior across pattern designs. A time-like quantity is introduced that takes into account the varying transport effects, and provides a dimensionless time basis for analyzing crystal growth kinetics in this system. Illustrations of these scaling relationships are given through comparison with experiment. Published by Elsiver B.V.

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Verification, validation, and predictive capability in computational engineering and physics

Applied Mechanics Reviews

Oberkampf, William L.; Trucano, Timothy G.; Hirsch, Charles

The views of state of art in verification and validation (V & V) in computational physics are discussed. These views are described in the framework in which predictive capability relies on V & V, as well as other factors that affect predictive capability. Some of the research topics addressed are development of improved procedures for the use of the phenomena identification and ranking table (PIRT) for prioritizing V & V activities, and the method of manufactured solutions for code verification. It also addressed development and use of hierarchical validation diagrams, and the construction and use of validation metrics incorporating statistical measures.

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What controls the apparent timescale of solute mass transfer in aquifers and soils? A comparison of experimental results

Water Resources Research

Meigs, Lucy C.

Estimates of mass transfer timescales from 316 solute transport experiments reported in 35 publications are compared to the pore-water velocities and residence times, as well as the experimental durations. New tracer experiments were also conducted in columns of different lengths so that the velocity and the advective residence time could be varied independently. In both the experiments reported in the literature and the new experiments, the estimated mass transfer timescale (inverse of the mass-transfer rate coefficient) is better correlated to residence time and the experimental duration than to velocity. Of the measures considered, the experimental duration multiplied by 1 + β (where β is the capacity coefficient, defined as the ratio of masses in the immobile and mobile domains at equilibrium) best predicted the estimated mass transfer timescale. This relation is consistent with other work showing that aquifer and soil material commonly produce multiple timescales of mass transfer.

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The signature molecular descriptor: 3. Inverse-quantitative structure-activity relationship of ICAM-1 inhibitory peptides

Journal of Molecular Graphics and Modelling

Churchwell, Carla J.; Rintoul, Mark D.; Martin, Shawn; Visco, Donald P.; Kotu, Archana; Larson, Richard S.; Sillerud, Laurel O.; Brown, David C.; Faulon, Jean L.

We present a methodology for solving the inverse-quantitative structure-activity relationship (QSAR) problem using the molecular descriptor called signature. This methodology is detailed in four parts. First, we create a QSAR equation that correlates the occurrence of a signature to the activity values using a stepwise multilinear regression technique. Second, we construct constraint equations, specifically the graphicality and consistency equations, which facilitate the reconstruction of the solution compounds directly from the signatures. Third, we solve the set of constraint equations, which are both linear and Diophantine in nature. Last, we reconstruct and enumerate the solution molecules and calculate their activity values from the QSAR equation. We apply this inverse-QSAR method to a small set of LFA-1/ICAM-1 peptide inhibitors to assist in the search and design of more-potent inhibitory compounds. Many novel inhibitors were predicted, a number of which are predicted to be more potent than the strongest inhibitor in the training set. Two of the more potent inhibitors were synthesized and tested in-vivo, confirming them to be the strongest inhibiting peptides to date. Some of these compounds can be recycled to train a new QSAR and develop a more focused library of lead compounds. © 2003 Elsevier Inc. All rights reserved.

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Covering a set of points with a minimum number of turns

International Journal of Computational Geometry and Applications

Collins, Michael J.

Given a finite set of points in Euclidean space, we can ask what is the minimum number of times a piecewise-linear path must change direction in order to pass through all of them. We prove some new upper and lower bounds for the rectilinear version of this problem in which all motion is orthogonal to the coordinate axes. We also consider the more general case of arbitrary directions.

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LIGA microsystems: Surface interactions, tribology, and coatings

Journal of Manufacturing Processes

Prasad, Somuri V.; Christenson, Todd R.; Dugger, Michael T.

Deep X-ray lithography based techniques such as LIGA (German acronym representing Lithographie, Galvanoformung, and Abformung) are being currently used to fabricate net-shape components for microelectromechanical systems (MEMS). Unlike other microfabrication techniques, LIGA lends itself to a broad range of materials, including metals, alloys, polymers, as well as ceramics and composites. Currently, Ni and Ni alloys are the materials of choice for LIGA microsystems. While Ni alloys may meet the structural requirements for MEMS, their tribological (friction and wear) behavior poses great challenges for the reliable operation of LIGA-fabricated MEMS. Typical sidewall morphologies of LIGA-fabricated parts are described, and their role in the tribological behavior of MEMS is discussed. The adaptation of commercial plasma-enhanced chemical vapor deposition to coat the sidewalls of LIGA-fabricated parts with diamond-like nanocomposite is described.

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Transport of a relativistic electron beam in gas and plasma-filled focusing cells for x-ray radiography

Physics of Plasmas

Welch, Dale R.; Rose, D.V.; Oliver, Bryan V.; Schamiloglu, E.; Hahn, K.; Maenchen, John E.

The propagation of a 30 kA, 3.5 Mev electron beam which was focused into gas and plasma-filled cells was discussed. Gas cells which were used for X-ray radiography were produced using pulsed-power accelerators, onto a high atomic number target to generate bremsstrahlung radiation. The effectiveness of beam focusing using neutral gas, partially ionized gas, and fully ionized (plasma-filled) cells was investigated using numerical simulation. It was observed in an optimized gas cell that an initial plasma density approaching 1016 cm-3 was sufficient to prevent significant net currents and the subsequent beam sweep.

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Modeling and simulating critical infrastructures and their interdependencies

Proceedings of the Hawaii International Conference on System Sciences

Rinaldi, Steven R.

Our national security, economic prosperity, and national well-being are dependent upon a set of highly interdependent critical infrastructures. Examples of these infrastructures include the national electrical grid, oil and natural gas systems, telecommunication and information networks, transportation networks, water systems, and banking and financial systems. Given the importance of their reliable and secure operations, understanding the behavior of these infrastructures - particularly when stressed or under attack - is crucial. Models and simulations can provide considerable insight into the complex nature of their behaviors and operational characteristics. These models and simulations must include interdependencies among infrastructures if they are to provide accurate representations of infrastructure characteristics and operations. A number of modeling and simulation approaches under development today directly address interdependencies and offer considerable insight into the operational and behavioral characteristics of critical infrastructures.

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Nonlinear Adaptive Control for Slewing Flexible Active Structures

Journal of Guidance, Control, and Dynamics

Wilson, D.G.; Starr, G.P.; Parker, G.G.; Robinett, R.D.

A robust nonlinear adaptive control (NAC) system was designed for the rotational slewing of an active structure. The control laws were developed for both motor torque control and beam vibration control actuation. The experiments validated the control system performance. Robustness to parameter variations were tested increasing the tip mass, that reduced the first-mode bending frequency. It was found that the control system performance results were similar to the zero tip mass case.

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Control of an acoustical speaker system in a reverberant chamber

Journal of the IEST

Larkin, Paul; Smallwood, David O.

Acoustic testing using commercial sound system components is becoming more popular as a cost effective way of generating the required environment both in and out of a reverberant chamber. This paper will present the development of such a sound system that uses a state-of-the-art random vibration controller to perform closed-loop control in the reverberant chamber at Sandia National Laboratories. Test data will be presented that demonstrates narrow-band controlability, performance and some limitations of commercial sound generation equipment in a reverberant chamber.

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Structural evaluation of WIPP disposal room raised to Clay Seam G

Park, Byoung P.; Holland, John H.

This report summarizes a series of structural calculations that examine effects of raising the Waste Isolation Pilot Plant repository horizon from the original design level upward 2.43 meters. These calculations allow evaluation of various features incorporated in conceptual models used for performance assessment. Material presented in this report supports the regulatory compliance re-certification, and therefore begins by replicating the calculations used in the initial compliance certification application. Calculations are then repeated for grid changes appropriate for the new horizon raised to Clay Seam G. Results are presented in three main areas: 1. Disposal room porosity, 2. Disturbed rock zone characteristics, and 3. Anhydrite marker bed failure. No change to the porosity surface for the compliance re-certification application is necessary to account for raising the repository horizon, because the new porosity surface is essentially identical. The disturbed rock zone evolution and devolution are charted in terms of a stress invariant criterion over the regulatory period. This model shows that the damage zone does not extend upward to MB 138, but does reach MB 139 below the repository. Damaged salt would be expected to heal in nominally 100 years. The anhydrite marker beds sustain states of stress that promote failure and substantial marker bed deformation into the room assures fractured anhydrite will sustain in the proximity of the disposal rooms.

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Dynamic self-assembly and computation: From biological to information systems

Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)

Bouchard, Ann M.; Osbourn, Gordon C.

We present two ways in which dynamic self-assembly can be used to perform computation, via stochastic protein networks and self-assembling software. We describe our protein-emulating agent-based simulation infrastructure, which is used for both types of computations, and the few agent properties sufficient for dynamic self-assembly. Examples of protein-network-based computation and self-assembling software are presented. We describe some novel capabilities that are enabled by the inherently dynamic nature of the self-assembling executable code. © Springer-Verlag 2004.

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Numerical simulation of waveguides of arbitrary cross-section

AEU - International Journal of Electronics and Communications

Hadley, G.R.

Finite difference equations are derived for the simulation of dielectric waveguides using an Hz -Ez formulation defined on a nonuniform triangular grid. The resulting equations may be solved as a banded eigenproblem for waveguide structures of arbitrary shape composed of regions of piecewise constant isotropic dielectric, and all transverse fields then computed from the solutions. Benchmark comparisons are presented for problems with analytic solutions, as well as a sample calculation of the propagation loss of a hollow Bragg fiber.

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Computational and experimental techniques for coupled acoustic/structure interactions

Walsh, Timothy W.; Sumali, Hartono S.; Dohner, Jeffrey L.; Reese, Garth M.; Day, David M.; Pierson, Kendall H.

This report documents the results obtained during a one-year Laboratory Directed Research and Development (LDRD) initiative aimed at investigating coupled structural acoustic interactions by means of algorithm development and experiment. Finite element acoustic formulations have been developed based on fluid velocity potential and fluid displacement. Domain decomposition and diagonal scaling preconditioners were investigated for parallel implementation. A formulation that includes fluid viscosity and that can simulate both pressure and shear waves in fluid was developed. An acoustic wave tube was built, tested, and shown to be an effective means of testing acoustic loading on simple test structures. The tube is capable of creating a semi-infinite acoustic field due to nonreflecting acoustic termination at one end. In addition, a micro-torsional disk was created and tested for the purposes of investigating acoustic shear wave damping in microstructures, and the slip boundary conditions that occur along the wet interface when the Knudsen number becomes sufficiently large.

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Communication patterns and allocation strategies

Leung, Vitus J.

Motivated by observations about job runtimes on the CPlant system, we use a trace-driven microsimulator to begin characterizing the performance of different classes of allocation algorithms on jobs with different communication patterns in space-shared parallel systems with mesh topology. We show that relative performance varies considerably with communication pattern. The Paging strategy using the Hilbert space-filling curve and the Best Fit heuristic performed best across several communication patterns.

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Self organizing software research : LDRD final report

Osbourn, Gordon C.

We have made progress in developing a new statistical mechanics approach to designing self organizing systems that is unique to SNL. The primary application target for this ongoing research has been the development of new kinds of nanoscale components and hardware systems. However, this research also enables an out of the box connection to the field of software development. With appropriate modification, the collective behavior physics ideas for enabling simple hardware components to self organize may also provide design methods for a new class of software modules. Our current physics simulations suggest that populations of these special software components would be able to self assemble into a variety of much larger and more complex software systems. If successful, this would provide a radical (disruptive technology) path to developing complex, high reliability software unlike any known today. This high risk, high payoff opportunity does not fit well into existing SNL funding categories, as it is well outside of the mainstreams of both conventional software development practices and the nanoscience research area that spawned it. This LDRD effort was aimed at developing and extending the capabilities of self organizing/assembling software systems, and to demonstrate the unique capabilities and advantages of this radical new approach for software development.

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A biological model for controlling interface growth and morphology

Holm, Elizabeth A.; Hoyt, Jeffrey J.

Biological systems create proteins that perform tasks more efficiently and precisely than conventional chemicals. For example, many plants and animals produce proteins to control the freezing of water. Biological antifreeze proteins (AFPs) inhibit the solidification process, even below the freezing point. These molecules bond to specific sites at the ice/water interface and are theorized to suppress solidification chemically or geometrically. In this project, we investigated the theoretical and experimental data on AFPs and performed analyses to understand the unique physics of AFPs. The experimental literature was analyzed to determine chemical mechanisms and effects of protein bonding at ice surfaces, specifically thermodynamic freezing point depression, suppression of ice nucleation, decrease in dendrite growth kinetics, solute drag on the moving solid/liquid interface, and stearic pinning of the ice interface. Stearic pinning was found to be the most likely candidate to explain experimental results, including freezing point depression, growth morphologies, and thermal hysteresis. A new stearic pinning model was developed and applied to AFPs, with excellent quantitative results. Understanding biological antifreeze mechanisms could enable important medical and engineering applications, but considerable future work will be necessary.

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Estimation of fatigue and extreme load distributions from limited data with application to wind energy systems

Veers, Paul S.

An estimate of the distribution of fatigue ranges or extreme loads for wind turbines may be obtained by separating the problem into two uncoupled parts, (1) a turbine specific portion, independent of the site and (2) a site-specific description of environmental variables. We consider contextually appropriate probability models to describe the turbine specific response for extreme loads or fatigue. The site-specific portion is described by a joint probability distribution of a vector of environmental variables, which characterize the wind process at the hub-height of the wind turbine. Several approaches are considered for combining the two portions to obtain an estimate of the extreme load, e.g., 50-year loads or fatigue damage. We assess the efficacy of these models to obtain accurate estimates, including various levels of epistemic uncertainty, of the turbine response.

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Quantification of ammonia binding sites in Davison (Type 3A) zeolite desiccant : a solid-state Nitrogen-15 MAS NMR spectroscopy investigation

Alam, Todd M.; Holland, Gregory P.; Cherry, Brian R.

The quantitative analysis of ammonia binding sites in the Davison (Type 3A) zeolite desiccant using solid-state {sup 15}N MAS NMR spectroscopy is reported. By utilizing 15N enriched ammonia ({sup 15}NH{sub 3}) gas, the different adsorption/binding sites within the zeolite were investigated as a function of NH{sub 3} loading. Using {sup 15}N MAS NMR multiple sites were resolved that have distinct cross-polarization dynamics and chemical shift behavior. These differences in the {sup 15}N NMR were used to characterize the adsorption environments in both the pure 3A zeolite and the silicone-molded forms of the desiccant.

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Genomes to life project : quarterly report October 2003

Heffelfinger, Grant S.

This SAND report provides the technical progress through October 2003 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 CO2 are important terms in the global environmental response to anthropogenic atmospheric inputs of CO2 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. More information about this project, including a copy of the original proposal, can be found at www.genomes-to-life.org

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Measurement and modeling of energetic material mass transfer to soil pore water :project CP-1227 FY03 annual technical report

Phelan, James M.; Phelan, James M.; Barnett, James B.; Kerr, Dayle R.

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 experimental work evaluating mass transfer processes from solid phase energetics to soil pore water. The experimental work is used as a basis to formulate a mass transfer numerical model, which has been incorporated into the porous media simulation code T2TNT. This report documents the results of the Phase III experimental effort, which evaluated the impacts of surface deposits versus buried deposits, energetic material particle size, and low order detonation debris. Next year, the energetic material mass transfer model will be refined and a 2-d screening model will be developed for initial site-specific applications. A technology development roadmap was created to show how specific R&D efforts are linked to technology and products for key customers.

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Radiation-transport method to simulate noncontinuum gas flows for MEMS devices

Torczynski, J.R.; Gallis, Michail A.

A Micro Electro Mechanical System (MEMS) typically consists of micron-scale parts that move through a gas at atmospheric or reduced pressure. In this situation, the gas-molecule mean free path is comparable to the geometric features of the microsystem, so the gas flow is noncontinuum. When mean-free-path effects cannot be neglected, the Boltzmann equation must be used to describe the gas flow. Solution of the Boltzmann equation is difficult even for the simplest case because of its sevenfold dimensionality (one temporal dimension, three spatial dimensions, and three velocity dimensions) and because of the integral nature of the collision term. The Direct Simulation Monte Carlo (DSMC) method is the method of choice to simulate high-speed noncontinuum flows. However, since DSMC uses computational molecules to represent the gas, the inherent statistical noise must be minimized by sampling large numbers of molecules. Since typical microsystem velocities are low (< 1 m/s) compared to molecular velocities ({approx}400 m/s), the number of molecular samples required to achieve 1% precision can exceed 1010 per cell. The Discrete Velocity Gas (DVG) method, an approach motivated by radiation transport, provides another way to simulate noncontinuum gas flows. Unlike DSMC, the DVG method restricts molecular velocities to have only certain discrete values. The transport of the number density of a velocity state is governed by a discrete Boltzmann equation that has one temporal dimension and three spatial dimensions and a polynomial collision term. Specification and implementation of DVG models are discussed, and DVG models are applied to Couette flow and to Fourier flow. While the DVG results for these benchmark problems are qualitatively correct, the errors in the shear stress and the heat flux can be order-unity even for DVG models with 88 velocity states. It is concluded that the DVG method, as described herein, is not sufficiently accurate to simulate the low-speed gas flows that occur in microsystems.

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Simulating economic effects of disruptions in the telecommunications infrastructure

Barton, Dianne C.; Eidson, Eric D.; Schoenwald, David A.; Cox, Roger G.; Reinert, Rhonda K.

CommAspen is a new agent-based model for simulating the interdependent effects of market decisions and disruptions in the telecommunications infrastructure on other critical infrastructures in the U.S. economy such as banking and finance, and electric power. CommAspen extends and modifies the capabilities of Aspen-EE, an agent-based model previously developed by Sandia National Laboratories to analyze the interdependencies between the electric power system and other critical infrastructures. CommAspen has been tested on a series of scenarios in which the communications network has been disrupted, due to congestion and outages. Analysis of the scenario results indicates that communications networks simulated by the model behave as their counterparts do in the real world. Results also show that the model could be used to analyze the economic impact of communications congestion and outages.

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2004 research briefs :Materials and Process Sciences Center

Cieslak, Michael J.; Cieslak, Michael J.

This report is the latest in a continuing series that highlights the recent technical accomplishments associated with the work being performed within the Materials and Process Sciences Center. Our research and development activities primarily address the materials-engineering needs of Sandia's Nuclear-Weapons (NW) program. In addition, we have significant efforts that support programs managed by the other laboratory business units. Our wide range of activities occurs within six thematic areas: Materials Aging and Reliability, Scientifically Engineered Materials, Materials Processing, Materials Characterization, Materials for Microsystems, and Materials Modeling and Simulation. We believe these highlights collectively demonstrate the importance that a strong materials-science base has on the ultimate success of the NW program and the overall DOE technology portfolio.

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Monolithic supports with unique geometries and enhanced mass transfer

Ferrizz, Robert F.; Stuecker, John N.; Cesarano, Joseph C.; Miller, James E.

The catalytic combustion of natural gas has been the topic of much research over the past decade. Interest in this technology results from a desire to decrease or eliminate the emissions of harmful nitrogen oxides (NOX) from gas turbine power plants. A low-pressure drop catalyst support, such as a ceramic monolith, is ideal for this high-temperature, high-flow application. A drawback to the traditional honeycomb monoliths under these operating conditions is poor mass transfer to the catalyst surface in the straight-through channels. 'Robocasting' is a unique process developed at Sandia National Laboratories that can be used to manufacture ceramic monoliths with alternative 3-dimensional geometries, providing tortuous pathways to increase mass transfer while maintaining low pressure drops. This report details the mass transfer effects for novel 3-dimensional robocast monoliths, traditional honeycomb-type monoliths, and ceramic foams. The mass transfer limit is experimentally determined using the probe reaction of CO oxidation over a Pt / {gamma}-Al{sub 2}O{sub 3} catalyst, and the pressure drop is measured for each monolith sample. Conversion versus temperature data is analyzed quantitatively using well-known dimensionless mass transfer parameters. The results show that, relative to the honeycomb monolith support, considerable improvement in mass transfer efficiency is observed for robocast samples synthesized using an FCC-like geometry of alternating rods. Also, there is clearly a trade-off between enhanced mass transfer and increased pressure drop, which can be optimized depending on the particular demands of a given application.

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Trilinos 3.1 tutorial

Heroux, Michael A.; Sala, Marzio S.

This document introduces the use of Trilinos, version 3.1. Trilinos has been written to support, in a rigorous manner, the solver needs of the engineering and scientific applications at Sandia National Laboratories. Aim of this manuscript is to present the basic features of some of the Trilinos packages. The presented material includes the definition of distributed matrices and vectors with Epetra, the iterative solution of linear system with AztecOO, incomplete factorizations with IFPACK, multilevel methods with ML, direct solution of linear system with Amesos, and iterative solution of nonlinear systems with NOX. With the help of several examples, some of the most important classes and methods are detailed to the inexperienced user. For the most majority, each example is largely commented throughout the text. Other comments can be found in the source of each example. This document is a companion to the Trilinos User's Guide and Trilinos Development Guides. Also, the documentation included in each of the Trilinos' packages is of fundamental importance.

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Towards enhancing Sandia's capabilities in multiscale materials modeling and simulation

Aidun, John B.; Barbour, J.C.; Chen, Er-Ping C.; Fang, H.E.; Westrich, Henry R.

We report our conclusions in support of the FY 2003 Science and Technology Milestone ST03-3.5. The goal of the milestone was to develop a research plan for expanding Sandia's capabilities in materials modeling and simulation. From inquiries and discussion with technical staff during FY 2003 we conclude that it is premature to formulate the envisioned coordinated research plan. The more appropriate goal is to develop a set of computational tools for making scale transitions and accumulate experience with applying these tools to real test cases so as to enable us to attack each new problem with higher confidence of success.

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Filtered Rayleigh scattering diagnostic for multi-parameter thermal-fluids measurements : LDRD final report

Kearney, S.P.; Beresh, Steven J.; Schefer, Robert W.; Grasser, Thomas W.

Simulation-based life-cycle-engineering and the ASCI program have resulted in models of unprecedented size and fidelity. The validation of these models requires high-resolution, multi-parameter diagnostics. Within the thermal-fluids disciplines, the need for detailed, high-fidelity measurements exceeds the limits of current engineering sciences capabilities and severely tests the state of the art. The focus of this LDRD is the development and application of filtered Rayleigh scattering (FRS) for high-resolution, nonintrusive measurement of gas-phase velocity and temperature. With FRS, the flow is laser-illuminated and Rayleigh scattering from naturally occurring sources is detected through a molecular filter. The filtered transmission may be interpreted to yield point or planar measurements of three-component velocities and/or thermodynamic state. Different experimental configurations may be employed to obtain compromises between spatial resolution, time resolution, and the quantity of simultaneously measured flow variables. In this report, we present the results of a three-year LDRD-funded effort to develop FRS combustion thermometry and Aerosciences velocity measurement systems. The working principles and details of our FRS opto-electronic system are presented in detail. For combustion thermometry we present 2-D, spatially correlated FRS results from nonsooting premixed and diffusion flames and from a sooting premixed flame. The FRS-measured temperatures are accurate to within {+-}50 K (3%) in a premixed CH4-air flame and within {+-}100 K for a vortex-strained diluted CH4-air diffusion flame where the FRS technique is severely tested by large variation in scattering cross section. In the diffusion flame work, FRS has been combined with Raman imaging of the CH4 fuel molecule to correct for the local light scattering properties of the combustion gases. To our knowledge, this is the first extension of FRS to nonpremixed combustion and the first use of joint FRS-Raman imaging. FRS has been applied to a sooting C2H4-air flame and combined with LII to assess the upper sooting limit where FRS may be utilized. The results from this sooting flame show FRS temperatures has potential for quantitative temperature imaging for soot volume fractions of order 0.1 ppm. FRS velocity measurements have been performed in a Mach 3.7 overexpanded nitrogen jet. The FRS results are in good agreement with expected velocities as predicted by inviscid analysis of the jet flowfield. We have constructed a second FRS opto-electronic system for measurements at Sandia's hypersonic wind tunnel. The details of this second FRS system are provided here. This facility is currently being used for velocity characterization of these production hypersonic facilities.

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Application of multidisciplinary analysis to gene expression

Davidson, George S.; Haaland, David M.; Martin, Shawn

Molecular analysis of cancer, at the genomic level, could lead to individualized patient diagnostics and treatments. The developments to follow will signal a significant paradigm shift in the clinical management of human cancer. Despite our initial hopes, however, it seems that simple analysis of microarray data cannot elucidate clinically significant gene functions and mechanisms. Extracting biological information from microarray data requires a complicated path involving multidisciplinary teams of biomedical researchers, computer scientists, mathematicians, statisticians, and computational linguists. The integration of the diverse outputs of each team is the limiting factor in the progress to discover candidate genes and pathways associated with the molecular biology of cancer. Specifically, one must deal with sets of significant genes identified by each method and extract whatever useful information may be found by comparing these different gene lists. Here we present our experience with such comparisons, and share methods developed in the analysis of an infant leukemia cohort studied on Affymetrix HG-U95A arrays. In particular, spatial gene clustering, hyper-dimensional projections, and computational linguistics were used to compare different gene lists. In spatial gene clustering, different gene lists are grouped together and visualized on a three-dimensional expression map, where genes with similar expressions are co-located. In another approach, projections from gene expression space onto a sphere clarify how groups of genes can jointly have more predictive power than groups of individually selected genes. Finally, online literature is automatically rearranged to present information about genes common to multiple groups, or to contrast the differences between the lists. The combination of these methods has improved our understanding of infant leukemia. While the complicated reality of the biology dashed our initial, optimistic hopes for simple answers from microarrays, we have made progress by combining very different analytic approaches.

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GICHD mine dog testing project : soil sample results #5

Blankenship, Brent A.; Phelan, James M.; Barnett, James B.; Bender, Susan F.; Donovan, Kelly L.

A mine dog evaluation project initiated by the Geneva International Center for Humanitarian Demining is evaluating the capability and reliability of mine detection dogs. The performance of field-operational mine detection dogs will be measured in test minefields in Afghanistan containing actual, but unfused landmines. Repeated performance testing over two years through various seasonal weather conditions will provide data simulating near real world conditions. Soil samples will be obtained adjacent to the buried targets repeatedly over the course of the test. Chemical analysis results from these soil samples will be used to evaluate correlations between mine dog detection performance and seasonal weather conditions. This report documents the analytical chemical methods and results from the fifth batch of soils received. This batch contained samples from Kharga, Afghanistan collected in June 2003.

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Effect of varied air flow on flame structure of laminar inverse diffusion flames

International Symposium on Combustion, Abstracts of Works-in-Progress Posters

Mikofski, M.A.; Blevins, Linda G.; Williams, T.C.; Shaddix, Christopher R.

The structure of laminar inverse diffusion flames (IDF) of methane and ethylene in air was studied using a cylindrical co-flowing burner. IDF were similar to normal diffusion flames, except that the relative positions of the fuel and oxidizer were reversed. Radiation from soot surrounding the IDF masked the reaction zone in visible images. As a result, flame heights determined from visible images were overestimated. The height of the reaction zone as indicated by OH LIF was a more relevant measure of height. The concentration and position of PAH and soot were observed using LIF and laser-induced incandescence (LII). PAH LIF and soot LII indicated that PAH and soot are present on the fuel side of the flame, and that soot is located closer to the reaction zone than PAH. Ethylene flames produced significantly higher PAH LIF and soot LII signals than methane flames, which was consistent with the sooting propensity of ethylene. The soot and PAH were present on the fuel side of the reaction zone, but the soot was closer to the reaction zone than the PAH. This is an abstract of a paper presented at the 30th International Symposium on combustion (Chicago, IL 7/25-30/2004).

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Deflection control of a corner-supported plate using segmented in-plane actuators

American Society of Mechanical Engineers, Aerospace Division (Publication) AD

Sumali, Hartono S.; Massad, Jordan M.; Chaplya, Pavel M.; Martin, Jeffrey W.

This paper describes an array of in-plane piezoelectric actuator segments laminated onto a comer-supported substrate to create a thin bimorph for reflector applications. An electric field distribution over the actuator segments causes the segments to expand or contract, thereby effecting plate deflection. To achieve a desired bimorph shape, the shape is first expressed as a two-dimensional series expansion. Then, using coefficients from the series expansion, an inverse problem is solved that determines the electric field distribution realizing the desired plate shape. A static example is presented where the desired deflection shape is a paraboloid. Copyright © 2004 by ASME.

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Distributed feature extraction for event identification

Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)

Ko, Teresa H.; Berry, Nina M.

An important component of ubiquitous computing is the ability to quickly sense the dynamic environment to learn context awareness in real-time. To pervasively capture detailed information of movements, we present a decentralized algorithm for feature extraction within a wireless sensor network. By approaching this problem in a distributed manner, we are able to work within the real constraint of wireless battery power and its effects on processing and network communications. We describe a hardware platform developed for low-power ubiquitous wireless sensing and a distributed feature extraction methodology which is capable of providing more information to the user of events while reducing power consumption. We demonstrate how the collaboration between sensor nodes can provide a means of organizing large networks into information-based clusters. © Springer-Verlag 2004.

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Formation of NO(j′ = 7.5) molecules with sub-kelvin translational energy via molecular beam collisions with argon using the technique of molecular cooling by inelastic collisional energy-transfer

European Physical Journal D

Elioff, M.S.; Valentini, J.J.; Chandler, D.W.

We report the cooling of nitric oxide molecules in a single collision between an argon atom and an NO molecule at collision energies of 5.65 ± 0.36 kJ/mol and 14.7 ± 0.9 kJ/mol in a crossed molecular beam apparatus. We have produced in significant numbers (∼108 molecules cm -3 per quantum state) translationally cold NO(2Π 1/2, v′ = 0, j′ = 7.5) molecules in a specific quantum state with an upper-limit laboratory-frame rms velocity of 14.8 ± 1.1 m/s, corresponding to a temperature of 406 ± 28 mK. The translational cooling results from the kinematic collapse of the velocity distribution of the NO molecules after collision. Increasing the collision energy by increasing the velocity of the argon atoms, as we do here, does shift the scattering angle at which the cold molecules appear, but does not result in an experimentally measurable change in the velocity spread of the cold NO. This is entirely consistent with our analysis of the kinematics of the scattering which predicts that the velocity spread will actually decrease with increasing argon atom velocity. © EDP Sciences, Società, Italiana di Fisica, Springer-Verlag 2004.

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Non-premixed turbulent jet mixing using LES with the FMDF model

International Symposium on Combustion, Abstracts of Works-in-Progress Posters

Glaze, D.J.; Frankel, S.H.; Hewson, John C.

Many practical combustion devices and uncontrolled fires involve high Reynolds number nonpremixed turbulent flames that feature non-equilibrium finite-rate chemistry effects, e.g., local flame extinction and reignition, where enhanced transport of mass and heat away from the flame due to rapid turbulent mixing exceeds the local burning rate. Probability density function methods have shown promise in predicting piloted nonpremixed CH4-air flames over a range of Reynolds numbers and varying degrees of flame extinction and reignition. A study was carried out to quantify and characterize the kinetics of localized extinction and reignition in the Sandia flames D, E, and F, for which detailed velocity and scalar data exists. PDF methods in large eddy simulation to predict the filtered mass density function (FMDF) was used. A simple idealized mixing simulation was performed of a nonpremixed turbulent fuel jet in an air co-flow. Mixing statistics from the Monte Carlo-based FMDF solution of the chemical species scalar were compared to those from a more traditional Eulerian mixing simulation using gradient transport-based subgrid closure models. The FMDF solution will be performed with the Euclidian minimum spanning tree mixing model that uses the phenomenological connection between physical space and state space for mixing events. This is an abstract of a paper presented at the 30th International Symposium on Combustion (Chicago, IL 7/25-30/2004).

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H2 separation through defect-free zeolite thin film membranes

ACS National Meeting Book of Abstracts

Welk, Margaret E.; Nenoff, T.M.

The synthesis, characterization, and separations capability of defect-free, thin-film zeolite membranes were presented. The one-micron thick sodium-aluminosilicate films of Silicalite-1 and ZSM-5 were synthesized by hydrothermal methods on either disk- or tube-supports. Techniques for growing membranes on both Al2O3 substrates as well as oxide-coated stainless steel substrates were presented. The resulting defect-free zeolite films had high flux rates at room temperature (∼ 10-7 mole/Pa-sec-sq m) and showed selective separations (3-7) between pure gases of H2 and CH4, O2, N2, CO2, CO, SF6. Results from mixed gas studies showed similar flux rates as pure gases with enhanced selectivity (15-50) for H2. The selectivity through both Silicalite-1 and ZSM-5 membranes was compared and contrasted for several gas mixtures. Data comparisons for defect-free and "defect-filled" membranes were also discussed. Under operation, the flow through these membranes quickly reached its maximum value and was stable over long periods of time. Results from experiments at high temperatures, ≤ 300°C, were compared with the data obtained at room temperature. This is an abstract of a paper presented at the 228th ACS National Meeting (Philadelphia, PA, 8/22-26/2004).

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A new constitutive model for predicting proton conductivity in polymer electrolytes

American Society of Mechanical Engineers, Heat Transfer Division, (Publication) HTD

Chen, Ken S.; Hickner, Michael A.

A new constitutive model relating proton conductivity to water content in a polymer electrolyte or membrane is presented. Our constitutive model is based on Faraday's law and the Nernst-Einstein equation; and it depends on the molar volumes of dry membrane and water but otherwise requires no adjustable parameters. We derive our constitutive model in two different ways. Predictions of proton conductivity as a function of membrane water content computed from our constitutive model are compared with that from a representative correlation and other models as well as experimental data from the literature and those obtained in our laboratory using a 4-point probe. Copyright © 2004 by ASME.

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Coupled electro-thermal mechanical analyses for SMM actuators development

American Society of Mechanical Engineers, Micro-Electro Mechanical Systems Division, (Publications) MEMS

Wong, Chungnin C.; Lober, Randy R.; Hales, Jason H.

A coupled-physics analysis code has been developed to simulate the electrical, thermal, and mechanical responses of surface micromachined (SMM) actuators. Our objective is to optimize the design and performance of these micro actuators. Since many new designs of these electro-thermal actuators have shuttles or platforms between beams, calculating the local Joule heating requires a multi-dimensional electrostatics analysis. Moreover, the electrical solution is strongly coupled to the temperature distribution since the electrical resistivity is temperature dependent. Thus, it is essential to perform a more comprehensive simulation that solves the coupled electrostatics, thermal, and mechanical equations. Results of the coupled-physics analyses will be presented. Copyright © 2004 by ASME.

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Elucidating water-droplet removal in polymer electrolyte fuel cells

American Society of Mechanical Engineers, Heat Transfer Division, (Publication) HTD

Noble, D.R.; Chen, Ken S.

The process of removing liquid water droplets in polymer electrolyte fuel cells (PEFC) is examined using a simple analytical model and two-dimensional simulations. Specifically, the stability of a droplet adhering to the wall of the cathode flow channel is examined as a function of the geometry of the flow channel, the applied pressure gradient, and the wetting properties. The result is a prediction of the critical droplet size as a function of the difference between the advancing and receding contact angles, or contact angle hysteresis. The analytical model is shown to qualitatively predict this stability limit when compared to two-dimensional simulation results. The simulations are performed using both Arbitrary Lagrangian Eulerian (ALE) methods and level set methods. The ALE and level set predictions are shown to be in good agreement. Copyright © 2004 by ASME.

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A comparison of thermomechanical and stress wave induced laser repair techniques for stiction-failed microcantilevers

American Society of Mechanical Engineers, Micro-Electro Mechanical Systems Division, (Publications) MEMS

Koppaka, Sai B.; Mackin, Thomas J.; Phinney, Leslie M.

Surface micromachined structures with high aspect ratios are often utilized as sensor platforms in microelectromechanical systems (MEMS) devices. These structures generally fail by suction or adhesion to the underlying substrate during operation, or related initial processing. Such failures represent a major disadvantage in mass production of MEMS devices with highly compliant structures. Fortunately, most suction failures can be prevented or repaired in a number of ways. Passive approaches implemented during fabrication or release include: (1) utilizing special low adhesion coatings and (2) processing with low surface energy rinse agents. These methods, however, increase both the processing time and cost and are not entirely effective. Active approaches, such as illuminating stiction-failed microstructures with pulsed laser irradiation, have proven to be very effective for stiction repair [1-5]. A more recent and promising method, introduced by Gupta et al. [6], utilized laser-induced stress waves to repair stiction-failed microstructures. This approach represents a logical extension of the laser spallation technique for debonding thin films from substrates [7-9]. The method transmits stress waves into MEMS structures by laser-irradiating the back side of the substrate opposite the stiction-failed structures. This paper presents an experimental study that compares the stress wave repair method with the thermomechanical repair method on identical arrays of stiction-failed cantilevers. Copyright © 2004 by ASME.

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High-resolution radiography for detecting and measuring micron-scale features

Applications of X-Rays in Mechanical Engineering 2004

Morse, Daniel H.; Antolak, Arlyn J.; Mills, Bernice E.

X-ray radiography has long been recognized as a valuable tool for detecting internal features and flaws. Recent developments in microfabrication and composite materials have extended inspection requirements to the resolution limits of conventional radiography. Our work has been directed toward pushing both detection and measurement capabilities to a smaller scale. Until recently, we have used conventional contact radiography, optimized to resolve small features. With the recent purchase of a nano-focus (sub-micron) x-ray source, we are now investigating projection radiography, phase contrast imaging and micro-computed tomography (μ-CT). Projection radiography produces a magnified image that is limited in spatial resolution mainly by the source size, not by film grain size or detector pixel size. Under certain conditions phase contrast can increase the ability to resolve small features such as cracks, especially in materials with low absorption contrast. Micro-computed tomography can provide three-dimensional measurements on a micron scale and has been shown to provide better sensitivity than simple radiographs. We have included applications of these techniques to small-scale measurements not easily made by mechanical or optical means. Examples include void detection in meso-scale nickel MEMS parts, measurement of edge profiles in thick gold lithography masks, and characterization of the distribution of phases in composite materials. Our work, so far, has been limited to film. Copyright © 2004 by ASME.

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Velocity-stress-pressure algorithm for 3D poroelastic wave propagation

SEG Technical Program Expanded Abstracts

Aldridge, David F.; Bartel, Lewis C.; Symons, Neill P.

Three-dimensional seismic wave propagation within a heterogeneous isotropic poroelastic medium is simulated with an explicit, time-domain, finite-difference algorithm. A system of thirteen, coupled, first-order partial differential equations is solved for the velocity vector components, stress tensor components, and pressure associated with solid and fluid constituents of the composite medium. A massively parallel computational implementation, utilizing the spatial domain decomposition strategy, allows investigation of large-scale earth models and/or broadband wave propagation within reasonable execution times.

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Compact optimization can outperform separation: A case study in structural proteomics

4OR

Carr, Robert D.; Lancia, Giuseppe G.

In Combinatorial Optimization, one is frequently faced with linear programming (LP) problems with exponentially many constraints, which can be solved either using separation or what we call compact optimization. The former technique relies on a separation algorithm, which, given a fractional solution, tries to produce a violated valid inequality. Compact optimization relies on describing the feasible region of the LP by a polynomial number of constraints, in a higher dimensional space. A commonly held belief is that compact optimization does not perform as well as separation in practice. In this paper,we report on an application in which compact optimization does in fact largely outperform separation. The problem arises in structural proteomics, and concerns the comparison of 3-dimensional protein folds. Our computational results show that compact optimization achieves an improvement of up to two orders of magnitude over separation. We discuss some reasons why compact optimization works in this case but not, e.g., for the LP relaxation of the TSP. © Springer-Verlag 2004.

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Color Snakes for Dynamic Lighting Conditions on Mobile Manipulation Platforms

IEEE International Conference on Intelligent Robots and Systems

Schaub, Hanspeter; Smith, Christopher E.

Statistical active contour models (aka statistical pressure snakes) have attractive properties for use in mobile manipulation platforms as both a method for use in visual servoing and as a natural component of a human-computer interface. Unfortunately, the constantly changing illumination expected in outdoor environments presents problems for statistical pressure snakes and for their image gradient-based predecessors. This paper introduces a new color-based variant of statistical pressure snakes that gives superior performance under dynamic lighting conditions and improves upon the previously published results of attempts to incorporate color imagery into active deformable models.

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Equilibration of long chain polymer melts in computer simulations

Journal of Chemical Physics

Auhl, Rolf; Everaers, Ralf; Grest, Gary S.; Kremer, Kurt; Plimpton, Steven J.

Equilibrated melts of long chain polymers were prepared. The combination of molecular dynamic (MD) relaxation, double-bridging and slow push-off allowed the efficient and controlled preparation of equilibrated melts of short, medium, and long chains, respectively. Results were obtained for an off-lattice bead-spring model with chain lengths up to N=7000 beads.

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New directions in fluid dynamics: Non-equilibrium aerodynamic and microsystem flows

Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences

Reese, Jason M.; Gallis, Michail A.; Lockerby, Duncan A.

Fluid flows that do not have local equilibrium are characteristic of some of the new frontiers in engineering and technology, for example, high-speed high-altitude aerodynamics and the development of micrometre-sized fluid pumps, turbines and other devices. However, this area of fluid dynamics is poorly understood from both the experimental and simulation perspectives, which hampers the progress of these technologies. This paper reviews some of the recent developments in experimental techniques and modelling methods for non-equilibrium gas flows, examining their advantages and drawbacks. We also present new results from our computational investigations into both hypersonic and microsystem flows using two distinct numerical methodologies: the direct simulation Monte Carlo method and extended hydrodynamics. While the direct simulation approach produces excellent results and is used widely, extended hydrodynamics is not as well developed but is a promising candidate for future more complex simulations. Finally, we discuss some of the other situations where these simulation methods could be usefully applied, and look to the future of numerical tools for non-equilibrium flows.

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Multivariate curve resolution for hyperspectral image analysis: Applications to microarray technology

Proceedings of SPIE - The International Society for Optical Engineering

Haaland, David M.; Timlin, Jerilyn A.; Sinclair, Michael B.; Van Benthem, Mark V.; Martinez, M.J.; Aragon, Anthony D.; Werner-Washburne, Margaret

Multivariate curve resolution (MCR) using constrained alternating least squares algorithms represents a powerful analysis capability for the quantitative analysis of hyperspectral image data. We will demonstrate the application of MCR using data from a new hyperspectral fluorescence imaging microarray scanner for monitoring gene expression in cells from thousands of genes on the array. The new scanner collects the entire fluorescence spectrum from each pixel of the scanned microarray. Application of MCR with nonnegativity and equality constraints reveals several sources of undesired fluorescence that emit in the same wavelength range as the reporter fluorophores. MCR analysis of the hyperspectral images confirms that one of the sources of fluorescence is due to contaminant fluorescence under the printed DNA spots that is spot localized. Thus, traditional background subtraction methods used with data collected from the current commercial microarray scanners will lead to errors in determining the relative expression of low-expressed genes. With the new scanner and MCR analysis, we generate relative concentration maps of the background, impurity, and fluorescent labels over the entire image. Since the concentration maps of the fluorescent labels are relatively unaffected by the presence of background and impurity emissions, the accuracy and useful dynamic range of the gene expression data are both greatly improved over those obtained by commercial microarray scanners.

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Technical training for women in the PV field

International Solar Energy Conference

Brown, Marlene B.

Over the past decade, more women have become interested in renewable energy, particularly photovoltaics, but a suitable training environment is difficult to find. Approximately five years ago, Solar Energy International (SEI) started offering classes for women only. The premise is that a women only class provides a friendly atmosphere for women to ask basic questions, take time working with tools and concepts, and practice hands-on activities in a supportive environment. Sandia National Labs has assisted SEI by providing technical content and hands-on instruction. The classes are split between the classroom and the field. This paper will provide an overview of the technical training, safety and the importance of the National Electrical Code® (NEC)®, and accomplishments of the students beyond these classes.

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Batteries for Stationary Standby and Cycling Applications Part 5: Maintenance and Testing Standards

2003 IEEE Power Engineering Society General Meeting, Conference Proceedings

Chamberlin, Jay L.

The existing IEEE stationary battery maintenance and testing standards fall into two basic categories: those associated with grid-tied standby applications and those associated with stand-alone photovoltaic cycling applications. These applications differ in several significant ways which in turn influence their associated standards. A review of the factors influencing the maintenance and testing of stationary battery systems provides the reasons for the differences between these standards and some of the hazards of using a standard inappropriate to the application. This review also provides a background on why these standards will need to be supplemented in the future to support emerging requirements of other applications, such as grid-tied cycling and photovoltaic hybrid applications.

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Deformation of a peridynamic bar

Journal of Elasticity

Silling, Stewart A.

The deformation of an infinite bar subjected to a self-equilibrated load distribution is investigated using the peridynamic formulation of elasticity theory. The peridynamic theory differs from the classical theory and other nonlocal theories in that it does not involve spatial derivatives of the displacement field. The bar problem is formulated as a linear Fredholm integral equation and solved using Fourier transform methods. The solution is shown to exhibit, in general, features that are not found in the classical result. Among these are decaying oscillations in the displacement field and progressively weakening discontinuities that propagate outside of the loading region. These features, when present, are guaranteed to decay provided that the wave speeds are real. This leads to a one-dimensional version of St. Venant's principle for peridynamic materials that ensures the increasing smoothness of the displacement field remotely from the loading region. The peridynamic result converges to the classical result in the limit of short-range forces. An example gives the solution to the concentrated load problem, and hence provides the Green's function for general loading problems.

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Integration of the advanced dish development system

International Solar Energy Conference

Diver, Richard B.; Andraka, Charles E.

The integration and approaches utilized in the various stages of the Advanced Dish Development System (ADDS) project are presented and described. Insights gained from integration of the ADDS are also discussed. The ADDS project focuses on development of a product that meets the needs of the remote power market and helps to identify key technology development needs that resulted in a system that is closer to commercialization. A pursuance of solving problems, a lack of fear of breaking things, and hands-on involvement by design engineers are the key components leading to rapid improvement of the project.

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Sensitivity analysis of a microslip friction model

ESTECH 2003: 49th Annual Technical Meeting and Exposition of the Institute of Environmental Science and Technology. Proceedings Constamination Control Design, Test, and Evaluation Product Reliability

Paez, Thomas L.; Urbina, Angel U.; Gregory, Danny L.; Resor, Brian R.

Real physical systems subjected to dynamic environments all display nonlinear behavior, yet they are most frequently modeled in a linear framework. The main reasons are, first, that it is convenient and efficient to solve linear equations, and second, that the system behavior can often be accurately approximated using linear governing equations. Experience shows that much of the nonlinearity of system behavior arises from the dynamic action of mechanical joints in systems. When the linear framework is used, the stiffness of joints is modeled as linear, and the damping is modeled as linear and viscous. To model mechanical joints otherwise requires a nonlinear framework and mathematical finite element model that accommodates transient time domain analysis. This study investigates a particular mechanical joint energy dissipation model. It is the Iwan model for energy dissipation caused by microslip friction. The sensitivity of energy dissipation in a system due to variation of model parameters is studied. The results of a combined numerical/experimental example that uses a model calibrated to a sequence of experiments are presented.

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Length scaling of dynamic-hohlraum axial radiation

Physics of Plasmas

Sanford, T.W.L.; Mock, R.C.; Slutz, S.A.; Peterson, D.L.

Measurements revealed that a foam-target DH length of ∼8 mm maximizes the axial power. The decrease in axial power at an enhanced level for lengths longer than 10 mm may be due to instability effects and/or effects of the W/CH2 interface near the REH.

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Time-resolved measurements of self-focusing pulses in air

Optics Letters

Bernstein, Aaron C.; Diels, J.C.; Luk, Ting S.; Nelson, T.R.; McPherson, A.; Cameron, Stewart M.

The spatial, spectral and temporal properties of self-focusing 798-nm 100-fs pulses in air were experimentally measured. It was measured using high-resolution, single-shot techniques at a set propagation distance of 10.91 m. The data were taken over an extended energy range and can thus be used to test the validity of physical models. The experimental results show that significant spatial, spectral and temporal changes occur at intensities lower than than those required for strong ionization of air.

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Synthetic aperture radar: Not just a sensor of last resort

Proceedings of SPIE - The International Society for Optical Engineering

Wells, Lars; Doerry, Armin

Modern high-performance Synthetic Aperture Radar (SAR) systems have evolved into highly versatile, robust, and reliable tactical sensors, offering images and information not available from other sensor systems. For example, real-time images are routinely formed by the Sandia-designed General Atomics (AN/APY-8) Lynx SAR yielding 4-inch resolution at 25 km range (representing better than arc-second resolutions) in clouds, smoke, and rain. Sandia's Real-Time Visualization (RTV) program operates an Interferometric SAR (IFSAR) system that forms three dimensional (3-D) topographic maps in near real-time with National Imagery and Mapping Agency (MIMA) Digital Terrain Elevation Data (DTED) level 4 performance (3 meter post spacing with 0.8-meter height accuracy) or better. When exported to 3-D rendering software, this data allows remarkable interactive fly-through experiences. Coherent Change Detection (CCD) allows detecting tire tracks on dirt roads, foot-prints, and other minor, otherwise indiscernible ground disturbances long after their originators have left the scene. Ground Moving Target Indicator (GMTI) radar modes allow detecting and tracking moving vehicles. A Sandia program known as "MiniSAR" is developing technologies that are expected to culminate in a fully functioning, high-performance, real-time SAR that weighs less than 20 Ibs. The purpose of this paper is to provide an overview of recent technology developments, as well as current on-going research and development efforts at Sandia National Laboratories.

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Automatic test system for lifetime testing of 100 kilovolt scyllac-style energy storage capacitors

Digest of Technical Papers-IEEE International Pulsed Power Conference

Savage, Mark E.; Starbird, R.; Ziska, G.; Sharpe, R.

Optimizing the design of the upgrade to the Z pulser at Sandia National Laboratories renewed interest in the ubiquitous Scyllac-cased capacitor. For the Z upgrade, the desired capacitance value in each case is different than those built before, and double that of the existing units in Z. The cost and fundamental importance of the Marx capacitors in pulsers like Z prompted the decision to build a test facility that could evaluate sample units from capacitor manufacturers. The number of interested vendors and the expected lifetime indicated about 350 thousand capacitor-shots for the capacitors in a plus-minus configuration. The project schedule demanded that the initial testing be completed in a few months. These factors, and budget limitations, pointed to the need for a system that could test multiple pairs of capacitors at once, without a full-time attendant. The system described here tests up to ten pairs of 2.6 μF capacitors charged to 100 kV in 90 seconds, then discharged at 150 kA and 35 percent reversal. Unattended operation requires sophisticated fault detection, and so much attention has been paid to this. This paper will describe the system, and the key components including the control system, the switches, and the load resistors. The paper will also show some lifetime and performance data from commonly used 200 kV spark gap switches.

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ZR reliability and operations analysis

Digest of Technical Papers-IEEE International Pulsed Power Conference

Anderson, Dennis J.; Briand, Daniel B.

Sandia National Laboratories' Z machine provides a unique capability to a number of National Nuclear Security Administration (NNSA) and basic science communities, and routinely produces x-ray power more than 5 times, and energy 50 times, greater than any other non-pulsed power laboratory device. To address an increasing demand and widening range of research interests, Sandia's Z refurbishment (ZR) program intends to increase Z utilization by providing the capability to double the number of shots per year, improve the overall precision for better reproducibility and enhanced data quality, and increase delivered current to provide additional performance capability. Reliability and operations analysis has been included from the onset of the ZR program to maximize performance and operations capacity. Preliminary analysis using a system-level reliability model highlighted Z failure modes requiring reliability improvement to help meet the increased ZR requirements. Preliminary results from analysis with a developed Z and ZR operations simulation model indicate, from an overall operations perspective including penalty costs and personnel resources, the scheduled maintenance activities and unscheduled repairs most in need of reduced time requirements and rates of occurrence.

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Using real-time vadose zone monitoring for long-term performance assessment of a corrective action management unit containment cell Sandia National Laboratories, New Mexico

Proceedings of the International Conference on Radioactive Waste Management and Environmental Remediation, ICEM

Irwin, Michael J.; Brouillard, Lee

Vadose Zone Monitoring System (VZMS) was used for the long-term performance assessment of a corrective action management unit (CAMU) containment cell at Sandia National Laboratories, New Mexico. A cost saving of approximately $200 million was realized by utilization of the CAMU versus off-site waste disposition. The VZMS permits the analysis of volatile organic compounds (VOC) concentrations in the soil gas directly underlying the containment cell. The configuration of the VZMS allowed for changes in the requirements for selected monitoring components, monitoring frequency and level of sensitivity.

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Automated wide-angle SAR stereo height extraction in rugged terrain using shift-scaling correlation

Proceedings of SPIE - The International Society for Optical Engineering

Yocky, David A.; Jakowatz, Charles V.

Coherent stereo pairs from cross-track synthetic aperture radar (SAR) collects allow fully automated correlation matching using magnitude and phase data. Yet, automated feature matching (correspondence) becomes more difficult when imaging rugged terrain utilizing large stereo crossing angle geometries because high-relief features can undergo significant spatial distortions. These distortions sometimes cause traditional, shift-only correlation matching to fail. This paper presents a possible solution addressing this difficulty. Changing the complex correlation maximization search from shift-only to shift-and-scaling using the downhill simplex method results in higher correlation. This is shown on eight coherent spotlight-mode cross-track stereo pairs with stereo crossing angles averaging 93.7° collected over terrain with slopes greater than 20°. The resulting digital elevation maps (DEMs) are compared to ground truth. Using the shift-scaling correlation approach to calculate disparity, height errors decrease and the number of reliable DEM posts increase.

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Bluff-body flow simulations using hybrid RANS/LES

33rd AIAA Fluid Dynamics Conference and Exhibit

Roy, Christopher J.; DeChant, Lawrence J.; Payne, Jeffrey L.; Blottner, Frederick G.

The Detached Eddy Simulation (DES) and steadystate Reynolds-Averaged Navier-Stokes (RANS) turbulence modeling approaches are examined for the incompressible flow over a square cross-section cylinder at a Reynolds number of 21,400. A compressible flow code is used which employes a second-order Roe upwind spatial discretization. Efforts are made to assess the numerical accuracy of the DES predictions with regards to statistical convergence, iterative convergence, and temporal and spatial discretization error. Three-dimensional DES simulations compared well with two-dimensional DES simulations, suggesting that the dominant vortex shedding mechanism is effectively two-dimensional. The two-dimensional simulations are validated via comparison to experimental data for mean and RMS velocities as well as Reynolds stress in the cylinder wake. The steady-state RANS models significantly overpredict the size of the recirculation zone, thus underpredicting the drag coefficient relative to the experimental value. The DES model is found to give good agreement with the experimental velocity data in the wake, drag coefficient, and recirculation zone length.

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Propagation of angular errors in two-axis rotation systems

Proceedings of SPIE - The International Society for Optical Engineering

Torrington, Geoffrey K.

Two-Axis Rotation Systems, or "goniometers," are used in diverse applications including telescope pointing, automotive headlamp testing, and display testing. There are three basic configurations in which a goniometer can be built depending on the orientation and order of the stages. Each configuration has a governing set of equations which convert motion between the system "native" coordinates to other base systems, such as direction cosines, optical field angles, or spherical-polar coordinates. In their simplest form, these equations neglect errors present in real systems. In this paper, a statistical treatment of error source propagation is developed which uses only tolerance data, such as can be obtained from the system mechanical drawings prior to fabrication. It is shown that certain error sources are fully correctable, partially correctable, or uncorrectable, depending upon the goniometer configuration and zeroing technique. The system error budget can be described by a root-sum-of-squares technique with weighting factors describing the sensitivity of each error source. This paper tabulates weighting factors at 67% (k=l) and 95% (k=2) confidence for various levels of maximum travel for each goniometer configuration. As a practical example, this paper works through an error budget used for the procurement of a system at Sandia National Laboratories.

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GeoPowering the West: Addressing barriers to new geothermal development

Transactions - Geothermal Resources Council

Hill, Roger

The implementation of GeoPowering the West (GPW), a communication and outreach component of the Department of Energy (DOE) to bring geothermal heat and power to homes and business across the West was discussed. GPQ helps to overcome financial risks, environmantal misconceptions, transactional costs, creates public awareness and define the benefits of geothermal development. The GPW complements the research and development activities conducted by the department and its national laboratories. It was stated that the GPW will continue to provide technical assistance to states that are considering to implement Renewable energy policies.

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Criteria for the Selection of Dosimetry Cross Sections

IEEE Transactions on Nuclear Science

Griffin, Patrick J.

This paper defines a process for selecting dosimetry-quality cross sections. The recommended cross-section evaluation depends on screening high-quality evaluations with quantified uncertainties, down-selecting based on comparison to experiments in standard neutron fields, and consistency checking in reference neutron fields. This procedure is illustrated for the 23Na(n, γ)24 Na reaction.

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Neutron Contribution to CaF2:Mn Thermoluminescent Dosimeter Response in Mixed (n/γ) Field Environments

IEEE Transactions on Nuclear Science

Depriest, Kendall D.; Griffin, Patrick J.

Thermoluminescent dosimeters (TLDs), particularly CaF2:Mn, are often used as photon dosimeters in mixed (n/γ) field environments. In these mixed field environments, it is desirable to separate the photon response of a dosimeter from the neutron response. For passive dosimeters that measure an integral response, such as TLDs, the separation of the two components must be performed by postexperiment analysis because the TLD reading system cannot distinguish between photon- and neutron-produced response. Using a model of an aluminum-equilibrated TLD-400 (CaF2:Mn) chip, a systematic effort has been made to analytically determine the various components that contribute to the neutron response of a TLD reading. The calculations were performed for five measured reactor neutron spectra and one theoretical thermal neutron spectrum. The five measured reactor spectra all have experimental values for aluminum-equilibrated TLD-400 chips. Calculations were used to determine the percentage of the total TLD response produced by neutron interactions in the TLD and aluminum equilibrator. These calculations will aid the Sandia National Laboratories-Radiation Metrology Laboratory (SNL-RML) in the interpretation of the uncertainty for TLD dosimetry measurements in the mixed field environments produced by SNL reactor facilities.

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Efficient all solid-state UV source for satellite-based lidar applications

Proceedings of SPIE - The International Society for Optical Engineering

Armstrong, Darrell J.; Smith, A.V.

A UV generation system consisting of a quasi-monolithic nonplanar-ring-oscillator image-rotating OPO, called the RISTRA OPO, is presented. High beam quality and the absence of mirror adjustments due to the monolithic design make this OPO well-suited for demanding applications such as satellite deployment. Initial tests of self seeding using low-quality flattop beams with poor spatial overlap between the OPO's cavity mode and the spatial mode of the injected signal pulsed showed pump depletion of 63%.

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Optimal Generators for a Systematic Block Code Model of Prokaryotic Translation Initiation

Annual International Conference of the IEEE Engineering in Medicine and Biology - Proceedings

May, Elebeoba E.

The decoding of received error control encoded bit streams is fairly straightforward when the channel encoding algorithms are efficient and known. But if the encoding scheme is unknown or part of the data is missing, how would one design a viable decoder for the received transmission? Communication engineers may not frequently encounter this situation, but for computational biologists this is an immediate challenge as we attempt to decipher and understand the vast amount of sequence data produced by genome sequencing projects. Assuming the systematic parity check block code model of protein translation initiation, this work presents an approach for determining the generator matrix given a set of potential codewords. The resulting generators and corresponding parity matrices are applied to valid and invalid Escherichia coli K-12 MG1655 messenger RNA leader sequences. The generators constructed using strict subsets of the 16S ribosomal RNA performed better than those constructed using the (5,2) block code model in earlier work.

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The disturbed rock zone at the Waste Isolation Pilot Plant

Hansen, Francis D.

The Disturbed Rock Zone constitutes an important geomechanical element of the Waste Isolation Pilot Plant. The science and engineering underpinning the disturbed rock zone provide the basis for evaluating ongoing operational issues and their impact on performance assessment. Contemporary treatment of the disturbed rock zone applied to the evaluation of the panel closure system and to a new mining horizon improves the level of detail and quantitative elements associated with a damaged zone surrounding the repository openings. Technical advancement has been realized by virtue of ongoing experimental investigations and international collaboration. The initial portion of this document discusses the disturbed rock zone relative to operational issues pertaining to re-certification of the repository. The remaining sections summarize and document theoretical and experimental advances that quantify characteristics of the disturbed rock zone as applied to nuclear waste repositories in salt.

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Equations of state for hydrogen and deuterium

Knudson, Marcus D.; Kerley, Gerald I.

This report describes the complete revision of a deuterium equation of state (EOS) model published in 1972. It uses the same general approach as the 1972 EOS, i.e., the so-called 'chemical model,' but incorporates a number of theoretical advances that have taken place during the past thirty years. Three phases are included: a molecular solid, an atomic solid, and a fluid phase consisting of both molecular and atomic species. Ionization and the insulator-metal transition are also included. The most important improvements are in the liquid perturbation theory, the treatment of molecular vibrations and rotations, and the ionization equilibrium and mixture models. In addition, new experimental data and theoretical calculations are used to calibrate certain model parameters, notably the zero-Kelvin isotherms for the molecular and atomic solids, and the quantum corrections to the liquid phase. The report gives a general overview of the model, followed by detailed discussions of the most important theoretical issues and extensive comparisons with the many experimental data that have been obtained during the last thirty years. Questions about the validity of the chemical model are also considered. Implications for modeling the 'giant planets' are also discussed.

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Biocompatible self-assembly of nano-materials for Bio-MEMS and insect reconnaissance

Brinker, C.J.; Sinclair, Michael B.; Timlin, Jerilyn A.; Cesarano, Joseph C.; Baca, Helen K.; Flemming, Jeb H.; Manginell, Monica M.; Dunphy, Darren R.; Brozik, Susan M.; Werner-Washburne, Margaret

This report summarizes the development of new biocompatible self-assembly procedures enabling the immobilization of genetically engineered cells in a compact, self-sustaining, remotely addressable sensor platform. We used evaporation induced self-assembly (EISA) to immobilize cells within periodic silica nanostructures, characterized by unimodal pore sizes and pore connectivity, that can be patterned using ink-jet printing or photo patterning. We constructed cell lines for the expression of fluorescent proteins and induced reporter protein expression in immobilized cells. We investigated the role of the abiotic/biotic interface during cell-mediated self-assembly of synthetic materials.

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Final report for the endowment of simulator agents with human-like episodic memory LDRD

Forsythe, James C.; Speed, Ann S.; Lippitt, Carl E.; Schaller, Mark J.; Xavier, Patrick G.; Thomas, Edward V.; Schoenwald, David A.

This report documents work undertaken to endow the cognitive framework currently under development at Sandia National Laboratories with a human-like memory for specific life episodes. Capabilities have been demonstrated within the context of three separate problem areas. The first year of the project developed a capability whereby simulated robots were able to utilize a record of shared experience to perform surveillance of a building to detect a source of smoke. The second year focused on simulations of social interactions providing a queriable record of interactions such that a time series of events could be constructed and reconstructed. The third year addressed tools to promote desktop productivity, creating a capability to query episodic logs in real time allowing the model of a user to build on itself based on observations of the user's behavior.

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Epetra developers coding guidelines

Heroux, Michael A.

Epetra is a package of classes for the construction and use of serial and distributed parallel linear algebra objects. It is one of the base packages in Trilinos. This document describes guidelines for Epetra coding style. The issues discussed here go beyond correct C++ syntax to address issues that make code more readable and self-consistent. The guidelines presented here are intended to aid current and future development of Epetra specifically. They reflect design decisions that were made in the early development stages of Epetra. Some of the guidelines are contrary to more commonly used conventions, but we choose to continue these practices for the purposes of self-consistency. These guidelines are intended to be complimentary to policies established in the Trilinos Developers Guide.

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PACFEST : enabling technologies in the war on terrorism in the Pacific region

Whitley, John B.; Moore, Judy H.

On October 22-24, 2003, about 40 experts involved in various aspects of homeland security from the United States and four other Pacific region countries meet in Kihei, Hawaii to engage in a free-wheeling discussion and brainstorm (a 'fest') of the role that technology could play in winning the war on terrorism in the Pacific region. The result of this exercise is a concise and relatively thorough definition of the terrorism problem in the Pacific region, emphasizing the issues unique to Island nations in the Pacific setting, along with an action plan for developing working demonstrators of advanced technological solutions to these issues. In this approach, the participants were asked to view the problem and their potential solutions from multiple perspectives, and then to identify barriers (especially social and policy barriers) to any proposed technological solution. The final step was to create a roadmap for further action. This roadmap includes plans to: (1) create a conceptual monitoring and tracking system for people and things moving around the region that would be 'scale free', and develop a simple concept demonstrator; (2) pursue the development of a system to improve local terrorism context information, perhaps through the creation of an information clearinghouse for Pacific law enforcement; (3) explore the implementation of a Hawaii based pilot system to explore hypothetical terrorist scenarios and the development of fusion and analysis tools to work with this data (Sandia); and (4) share information concerning the numerous activities ongoing at various organizations around the understanding and modeling of terrorist behavior.

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III-antimonide/nitride based semiconductors for optoelectronic materials and device studies : LDRD 26518 final report

Peake, Gregory M.; Klem, John F.; Modine, N.A.; Waldrip, Karen E.; Kurtz, S.R.; Allerman, A.A.; Jones, E.D.

The goal of this LDRD was to investigate III-antimonide/nitride based materials for unique semiconductor properties and applications. Previous to this study, lack of basic information concerning these alloys restricted their use in semiconductor devices. Long wavelength emission on GaAs substrates is of critical importance to telecommunication applications for cost reduction and integration into microsystems. Currently InGaAsN, on a GaAs substrate, is being commercially pursued for the important 1.3 micrometer dispersion minima of silica-glass optical fiber; due, in large part, to previous research at Sandia National Laboratories. However, InGaAsN has not shown great promise for 1.55 micrometer emission which is the low-loss window of single mode optical fiber used in transatlantic fiber. Other important applications for the antimonide/nitride based materials include the base junction of an HBT to reduce the operating voltage which is important for wireless communication links, and for improving the efficiency of a multijunction solar cell. We have undertaken the first comprehensive theoretical, experimental and device study of this material with promising results. Theoretical modeling has identified GaAsSbN to be a similar or potentially superior candidate to InGaAsN for long wavelength emission on GaAs. We have confirmed these predictions by producing emission out to 1.66 micrometers and have achieved edge emitting and VCSEL electroluminescence at 1.3 micrometers. We have also done the first study of the transport properties of this material including mobility, electron/hole mass, and exciton reduced mass. This study has increased the understanding of the III-antimonide/nitride materials enough to warrant consideration for all of the target device applications.

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Final report on LDRD project 52722 : radiation hardened optoelectronic components for space-based applications

Blansett, Ethan B.; Klem, John F.; Hawkins, Samuel D.; Sanchez, Victoria S.; Sullivan, Charles T.; Wrobel, Theodore F.; Serkland, Darwin K.; Keeler, Gordon A.; Geib, K.M.; Karpen, Gary D.; Diaz, Melissa R.; Peake, Gregory M.; Hargett, Terry H.

This report describes the research accomplishments achieved under the LDRD Project 'Radiation Hardened Optoelectronic Components for Space-Based Applications.' The aim of this LDRD has been to investigate the radiation hardness of vertical-cavity surface-emitting lasers (VCSELs) and photodiodes by looking at both the effects of total dose and of single-event upsets on the electrical and optical characteristics of VCSELs and photodiodes. These investigations were intended to provide guidance for the eventual integration of radiation hardened VCSELs and photodiodes with rad-hard driver and receiver electronics from an external vendor for space applications. During this one-year project, we have fabricated GaAs-based VCSELs and photodiodes, investigated ionization-induced transient effects due to high-energy protons, and measured the degradation of performance from both high-energy protons and neutrons.

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Analysis of nano-scale films and particles

Reedy, Earl D.

This one-year feasibility study was aimed at developing finite element modeling capabilities for simulating nano-scale tests. This work focused on methods to model: (1) the adhesion of a particle to a substrate, and (2) the delamination of a thin film from a substrate. Adhesion was modeled as a normal attractive force that depends on the distance between opposing material surfaces while delamination simulations used a cohesive zone model. Both of these surface interaction models had been implemented in a beta version of the three-dimensional, transient dynamics, PRESTO finite element code, and the present study verified that implementation. Numerous illustrative calculations have been performed using these models, and when possible comparisons were made with existing solutions. These capabilities are now available in PRESTO version 1.07.

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Microstructural and continuum evolution modeling of sintering

Tikare, Veena T.; Braginsky, Michael V.; Arguello, Jose G.; Garino, Terry J.

All ceramics and powder metals, including the ceramics components that Sandia uses in critical weapons components such as PZT voltage bars and current stacks, multi-layer ceramic MET's, ahmindmolybdenum & alumina cermets, and ZnO varistors, are manufactured by sintering. Sintering is a critical, possibly the most important, processing step during manufacturing of ceramics. The microstructural evolution, the macroscopic shrinkage, and shape distortions during sintering will control the engineering performance of the resulting ceramic component. Yet, modeling and prediction of sintering behavior is in its infancy, lagging far behind the other manufacturing models, such as powder synthesis and powder compaction models, and behind models that predict engineering properties and reliability. In this project, we developed a model that was capable of simulating microstructural evolution during sintering, providing constitutive equations for macroscale simulation of shrinkage and distortion during sintering. And we developed macroscale sintering simulation capability in JAS3D. The mesoscale model can simulate microstructural evolution in a complex powder compact of hundreds or even thousands of particles of arbitrary shape and size by 1. curvature-driven grain growth, 2. pore migration and coalescence by surface diffusion, 3. vacancy formation, grain boundary diffusion and annihilation. This model was validated by comparing predictions of the simulation to analytical predictions for simple geometries. The model was then used to simulate sintering in complex powder compacts. Sintering stress and materials viscous module were obtained from the simulations. These constitutive equations were then used by macroscopic simulations for simulating shrinkage and shape changes in FEM simulations. The continuum theory of sintering embodied in the constitutive description of Skorohod and Olevsky was combined with results from microstructure evolution simulations to model shrinkage and deformation during. The continuum portion is based on a finite element formulation that allows 3D components to be modeled using SNL's nonlinear large-deformation finite element code, JAS3D. This tool provides a capability to model sintering of complex three-dimensional components. The model was verified by comparing to simulations results published in the literature. The model was validated using experimental results from various laboratory experiments performed by Garino. In addition, the mesoscale simulations were used to study anisotropic shrinkage in aligned, elongated powder compacts. Anisotropic shrinkage occurred in all compacts with aligned, elongated particles. However, the direction of higher shrinkage was in some cases along the direction of elongation and in other cases in the perpendicular direction depending on the details of the powder compact. In compacts of simple-packed, mono-sized, elongated particles, shrinkage was higher in the direction of elongation. In compacts of close-packed, mono-sized, elongated particles and of elongated particles with a size and shape distribution, the shrinkage was lower in the direction of elongation. We also explored the concept of a sintering stress tensor rather than the traditional sintering stress scalar concept for the case of anisotropic shrinkage. A thermodynamic treatment of this is presented. A method to calculate the sintering stress tensor is also presented. A user-friendly code that can simulate microstructural evolution during sintering in 2D and in 3D was developed. This code can run on most UNIX platforms and has a motif-based GUI. The microstructural evolution is shown as the code is running and many of the microstructural features, such as grain size, pore size, the average grain boundary length (in 2D) and area (in 3D), etc. are measured and recorded as a function of time. The overall density as the function of time is also recorded.

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Adaptive and mobile ground sensor array

Maish, Alexander B.; O'Rourke, William T.; Zenner, Jennifer L.; Holzrichter, Michael W.

The goal of this LDRD was to demonstrate the use of robotic vehicles for deploying and autonomously reconfiguring seismic and acoustic sensor arrays with high (centimeter) accuracy to obtain enhancement of our capability to locate and characterize remote targets. The capability to accurately place sensors and then retrieve and reconfigure them allows sensors to be placed in phased arrays in an initial monitoring configuration and then to be reconfigured in an array tuned to the specific frequencies and directions of the selected target. This report reviews the findings and accomplishments achieved during this three-year project. This project successfully demonstrated autonomous deployment and retrieval of a payload package with an accuracy of a few centimeters using differential global positioning system (GPS) signals. It developed an autonomous, multisensor, temporally aligned, radio-frequency communication and signal processing capability, and an array optimization algorithm, which was implemented on a digital signal processor (DSP). Additionally, the project converted the existing single-threaded, monolithic robotic vehicle control code into a multi-threaded, modular control architecture that enhances the reuse of control code in future projects.

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Anomalies in the theory of viscous energy losses due to shear in rotational MEMS resonators

Dohner, Jeffrey L.; Jenkins, Mark W.; Walsh, Timothy W.; Rhodes, Kelly A.

In this paper, the effect of viscous wave motion on a micro rotational resonator is discussed. This work shows the inadequacy of developing theory to represent energy losses due to shear motion in air. Existing theory predicts Newtonian losses with little slip at the interface. Nevertheless, experiments showed less effect due to Newtonian losses and elevated levels of slip for small gaps. Values of damping were much less than expected. Novel closed form solutions for the response of components are presented. The stiffness of the resonator is derived using Castigliano's theorem, and viscous fluid motion above and below the resonator is derived using a wave approach. Analytical results are compared with experimental results to determine the utility of existing theory. It was found that existing macro and molecular theory is inadequate to describes measured responses.

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Sandia's mentoring program : an ongoing success

Burt, Rebecca A.; Brewer, Soila B.

This report summarizes the Mentoring Program at Sandia National Laboratories (SNL), which has been an on-going success since its inception in 1995. The Mentoring Program provides a mechanism to develop a workforce able to respond to changing requirements and complex customer needs. The program objectives are to enhance employee contributions through increased knowledge of SNL culture, strategies, and programmatic direction. Mentoring is a proven mechanism for attracting new employees, retaining employees, and developing leadership. It helps to prevent the loss of corporate knowledge from attrition and retirement, and it increases the rate and level of contributions of new managers and employees, also spurring cross-organizational teaming. The Mentoring Program is structured as a one-year partnership between an experienced staff member or leader and a less experienced one. Mentors and mentees are paired according to mutual objectives and interests. Support is provided to the matched pairs from their management as well as division program coordinators in both New Mexico and California locations. In addition, bi-monthly large-group training sessions are held.

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A study of two domain decomposition preconditioners

Dohrmann, Clark R.

Large-scale finite element analysis often requires the iterative solution of equations with many unknowns. Preconditioners based on domain decomposition concepts have proven effective at accelerating the convergence of iterative methods like conjugate gradients for such problems. A study of two new domain decomposition preconditioners is presented here. The first is based on a substructuring approach and can viewed as a primal counterpart of the dual-primal variant of the finite element tearing and interconnecting method called FETI-DP. The second uses an algebraic approach to construct a coarse problem for a classic overlapping Schwarz method. The numerical properties of both preconditioners are shown to scale well with problem size. Although developed primarily for structural mechanics applications, the preconditioners are also useful for other problems types. Detailed descriptions of the two preconditioners along with numerical results are included.

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Enhancements for distributed certificate authority approaches for mobile wireless ad hoc networks

Van Leeuwen, Brian P.; Anderson, William E.; Michalski, John T.

Mobile wireless ad hoc networks that are resistant to adversarial manipulation are necessary for distributed systems used in military and security applications. Critical to the successful operation of these networks, which operate in the presence of adversarial stressors, are robust and efficient information assurance methods. In this report we describe necessary enhancements for a distributed certificate authority (CA) used in secure wireless network architectures. Necessary cryptographic algorithms used in distributed CAs are described and implementation enhancements of these algorithms in mobile wireless ad hoc networks are developed. The enhancements support a network's ability to detect compromised nodes and facilitate distributed CA services. We provide insights to the impacts the enhancements will have on network performance with timing diagrams and preliminary network simulation studies.

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Evaluation of TCP congestion control algorithms

Long, Robert M.

Sandia, Los Alamos, and Lawrence Livermore National Laboratories currently deploy high speed, Wide Area Network links to permit remote access to their Supercomputer systems. The current TCP congestion algorithm does not take full advantage of high delay, large bandwidth environments. This report involves evaluating alternative TCP congestion algorithms and comparing them with the currently used congestion algorithm. The goal was to find if an alternative algorithm could provide higher throughput with minimal impact on existing network traffic. The alternative congestion algorithms used were Scalable TCP and High-Speed TCP. Network lab experiments were run to record the performance of each algorithm under different network configurations. The network configurations used were back-to-back with no delay, back-to-back with a 30ms delay, and two-to-one with a 30ms delay. The performance of each algorithm was then compared to the existing TCP congestion algorithm to determine if an acceptable alternative had been found. Comparisons were made based on throughput, stability, and fairness.

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Technical network equipment qualification : cubicle-class switches

Kellogg, Brian R.; Brenkosh, Joseph P.

As part of the Testing Evaluation and Qualification Project, which was contracted by Organization 9336, this paper compares three cubicle-class switches from various vendors to assess how well they would perform in the unclassified networks at Sandia National Laboratories. The switches tested were the SMC TigerSwitch 6709L2, the Cisco Catalyst 2950G-12, and the Extreme Summit 5i. Each switch was evaluated by testing performance, functionality, interoperability, security, and total cost of ownership. The results of this report show the SMC TigerSwitch as being the best choice for cubicle use because of its high performance and very low cost. The Cisco Catalyst is also rated highly for cubicle use and in some cases may be preferred over the SMC TigerSwitch. The Extreme Summit 5i is not recommended for cubicle use due to its size and extremely loud fans but is a full featured, high performance switch that would work very well for access layer switching.

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Unique Signal mathematical analysis task group FY03 status report

Cooper, Arlin C.; Johnston, Anna M.

The Unique Signal is a key constituent of Enhanced Nuclear Detonation Safety (ENDS). Although the Unique Signal approach is well prescribed and mathematically assured, there are numerous unsolved mathematical problems that could help assess the risk of deviations from the ideal approach. Some of the mathematics-based results shown in this report are: 1. The risk that two patterns with poor characteristics (easily generated by inadvertent processes) could be combined through exclusive-or mixing to generate an actual Unique Signal pattern has been investigated and found to be minimal (not significant when compared to the incompatibility metric of actual Unique Signal patterns used in nuclear weapons). 2. The risk of generating actual Unique Signal patterns with linear feedback shift registers is minimal, but the patterns in use are not as invulnerable to inadvertent generation by dependent processes as previously thought. 3. New methods of testing pair-wise incompatibility threats have resulted in no significant problems found for the set of Unique Signal patterns currently used. Any new patterns introduced would have to be carefully assessed for compatibility with existing patterns, since some new patterns under consideration were found to be deficient when associated with other patterns in use. 4. Markov models were shown to correspond to some of the engineered properties of Unique Signal sequences. This gives new support for the original design objectives. 5. Potential dependence among events (caused by a variety of communication protocols) has been studied. New evidence has been derived of the risk associated with combined communication of multiple events, and of the improvement in abnormal-environment safety that can be achieved through separate-event communication.

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A year 2003 conceptual model for the U.S. telecommunications infrastructure

Cox, Roger G.; Reinert, Rhonda K.

To model the telecommunications infrastructure and its role and robustness to shocks, we must characterize the business and engineering of telecommunications systems in the year 2003 and beyond. By analogy to environmental systems modeling, we seek to develop a 'conceptual model' for telecommunications. Here, the conceptual model is a list of high-level assumptions consistent with the economic and engineering architectures of telecommunications suppliers and customers, both today and in the near future. We describe the present engineering architectures of the most popular service offerings, and describe the supplier markets in some detail. We also develop a characterization of the customer base for telecommunications services and project its likely response to disruptions in service, base-lining such conjectures against observed behaviors during 9/11.

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Results 87001–87100 of 96,771
Results 87001–87100 of 96,771