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Experimental and computational study of the liquid-solid transition in tin

Foiles, Stephen M.

An experimental technique was developed to perform isentropic compression of heated liquid tin samples at the Z Accelerator, and multiple such experiments were performed to investigate solidification under rapid compression. Preliminary analyses, using two different methods, of data from experiments with high uncertainty in sample thickness suggest that solidification can begin to occur during isentropic compression on time scales of less than 100 ns. Repeatability of this result has not been confirmed due to technical issues on the subsequent experiments performed. First-principles molecular-dynamics calculations based on density-functional theory showed good agreement with experimentally-determined structure factors for liquid tin, and were used to investigate the equation of state and develop a novel interatomic pseudo-potential for liquid tin and its high-pressure solid phase. Empirical-potential molecular-dynamics calculations, using the new potential, gave results for the solid-liquid interface velocity, which was found to vary linearly with difference in free energy between the solid and liquid phases, as well as the liquidus, the maximum over-pressurization, and the solid-liquid interfacial energy. These data will prove useful in future modeling of solidification kinetics for liquid tin.

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On the modeling, design and validation of two dimensional quasi-static eddy current forces in a mechanical oscillator

Mitchell, John A.; Wittwer, Jonathan W.; Epp, David S.

Damping vibrations is important in the design of some types of inertial sensing devices. One method for adding damping to a device is to use magnetic forces generated by a static magnetic field interacting with eddy currents. In this report, we develop a 2-dimensional finite element model for the analysis of quasistatic eddy currents in a thin sheet of conducting material. The model was used for design and sensitivity analyses of a novel mechanical oscillator that consists of a shuttle mass (thin sheet of conducting material) and a set of folded spring elements. The oscillator is damped through the interaction of a static magnetic field and eddy currents in the shuttle mass. Using a prototype device and Laser Dopler Velocimetry (LDV), measurements were compared to the model in a validation study using simulation based uncertainty analyses. Measurements were found to follow the trends predicted by the model.

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Human performance modeling for system of systems analytics :soldier fatigue

Lawton, Craig; Campbell, James E.; Miller, Dwight P.

The military has identified Human Performance Modeling (HPM) as a significant requirement and challenge of future systems modeling and analysis initiatives as can be seen in the Department of Defense's (DoD) Defense Modeling and Simulation Office's (DMSO) Master Plan (DoD 5000.59-P 1995). To this goal, the military is currently spending millions of dollars on programs devoted to HPM in various military contexts. Examples include the Human Performance Modeling Integration (HPMI) program within the Air Force Research Laboratory, which focuses on integrating HPMs with constructive models of systems (e.g. cockpit simulations) and the Navy's Human Performance Center (HPC) established in September 2003. Nearly all of these initiatives focus on the interface between humans and a single system. This is insufficient in the era of highly complex network centric SoS. This report presents research and development in the area of HPM in a system-of-systems (SoS). Specifically, this report addresses modeling soldier fatigue and the potential impacts soldier fatigue can have on SoS performance.

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Development of nonproliferation and assessment scenarios

Barnett, Natalie B.; Finley, Melissa F.

The overall objective of the Nonproliferation and Assessments Scenario Development project is to create and analyze potential and plausible scenarios that would lead to an adversary's ability to acquire and use a biological weapon. The initial three months of funding was intended to be used to develop a scenario to demonstrate the efficacy of this analysis methodology; however, it was determined that a substantial amount of preliminary data collection would be needed before a proof of concept scenario could be developed. We have dedicated substantial effort to determine the acquisition pathways for Foot and Mouth Disease Virus, and similar processes will be applied to all pathogens of interest. We have developed a biosecurity assessments database to capture information on adversary skill locales, available skill sets in specific regions, pathogen sources and regulations involved in pathogen acquisition from legitimate facilities. FY06 funding, once released, will be dedicated to data collection on acquisition, production and dissemination requirements on a pathogen basis. Once pathogen data has been collected, scenarios will be developed and scored.

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Methods for simulation-based analysis of fluid-structure interaction

Barone, Matthew F.; Payne, Jeffrey L.

Methods for analysis of fluid-structure interaction using high fidelity simulations are critically reviewed. First, a literature review of modern numerical techniques for simulation of aeroelastic phenomena is presented. The review focuses on methods contained within the arbitrary Lagrangian-Eulerian (ALE) framework for coupling computational fluid dynamics codes to computational structural mechanics codes. The review treats mesh movement algorithms, the role of the geometric conservation law, time advancement schemes, wetted surface interface strategies, and some representative applications. The complexity and computational expense of coupled Navier-Stokes/structural dynamics simulations points to the need for reduced order modeling to facilitate parametric analysis. The proper orthogonal decomposition (POD)/Galerkin projection approach for building a reduced order model (ROM) is presented, along with ideas for extension of the methodology to allow construction of ROMs based on data generated from ALE simulations.

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Integrating software architectures for distributed simulations and simulation analysis communities

Linebarger, John; Fellig, Daniel; Moore, Patrick C.; Hawley, Marilyn F.; Sa, Timothy J.

The one-year Software Architecture LDRD (No.79819) was a cross-site effort between Sandia California and Sandia New Mexico. The purpose of this research was to further develop and demonstrate integrating software architecture frameworks for distributed simulation and distributed collaboration in the homeland security domain. The integrated frameworks were initially developed through the Weapons of Mass Destruction Decision Analysis Center (WMD-DAC), sited at SNL/CA, and the National Infrastructure Simulation & Analysis Center (NISAC), sited at SNL/NM. The primary deliverable was a demonstration of both a federation of distributed simulations and a federation of distributed collaborative simulation analysis communities in the context of the same integrated scenario, which was the release of smallpox in San Diego, California. To our knowledge this was the first time such a combination of federations under a single scenario has ever been demonstrated. A secondary deliverable was the creation of the standalone GroupMeld{trademark} collaboration client, which uses the GroupMeld{trademark} synchronous collaboration framework. In addition, a small pilot experiment that used both integrating frameworks allowed a greater range of crisis management options to be performed and evaluated than would have been possible without the use of the frameworks.

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Pollution prevention opportunity assessment for electronics prototype laboratory

Gerard, Morgan E.

This Pollution Prevention Opportunity Assessment (PPOA) was conducted for Sandia National Laboratories/California Electronics Prototype Laboratory (EPL) in May 2005. The primary purpose of this PPOA is to provide recommendations to assist Electronics Prototype Laboratory personnel in reducing the generation of waste and improving the efficiency of their processes. This report contains a summary of the information collected, analyses performed and recommended options for implementation. The Sandia National Laboratories Pollution Prevention staff will continue to work with the EPL to implement the recommendations.

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Shock-induced explosive chemistry in a deterministic sample configuration

Trott, Wayne M.; Baer, M.R.; Castaeda, Jaime N.; Tappan, Alexander S.

Explosive initiation and energy release have been studied in two sample geometries designed to minimize stochastic behavior in shock-loading experiments. These sample concepts include a design with explosive material occupying the hole locations of a close-packed bed of inert spheres and a design that utilizes infiltration of a liquid explosive into a well-defined inert matrix. Wave profiles transmitted by these samples in gas-gun impact experiments have been characterized by both velocity interferometry diagnostics and three-dimensional numerical simulations. Highly organized wave structures associated with the characteristic length scales of the deterministic samples have been observed. Initiation and reaction growth in an inert matrix filled with sensitized nitromethane (a homogeneous explosive material) result in wave profiles similar to those observed with heterogeneous explosives. Comparison of experimental and numerical results indicates that energetic material studies in deterministic sample geometries can provide an important new tool for validation of models of energy release in numerical simulations of explosive initiation and performance.

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Physical Modeling of Scaled Water Distribution System Networks

O'Hern, Timothy J.; Hammond, Glenn E.; Orear Jr., Leslie; Van Bloemen Waanders, Bart

Threats to water distribution systems include release of contaminants and Denial of Service (DoS) attacks. A better understanding, and validated computational models, of the flow in water distribution systems would enable determination of sensor placement in real water distribution networks, allow source identification, and guide mitigation/minimization efforts. Validation data are needed to evaluate numerical models of network operations. Some data can be acquired in real-world tests, but these are limited by 1) unknown demand, 2) lack of repeatability, 3) too many sources of uncertainty (demand, friction factors, etc.), and 4) expense. In addition, real-world tests have limited numbers of network access points. A scale-model water distribution system was fabricated, and validation data were acquired over a range of flow (demand) conditions. Standard operating variables included system layout, demand at various nodes in the system, and pressure drop across various pipe sections. In addition, the location of contaminant (salt or dye) introduction was varied. Measurements of pressure, flowrate, and concentration at a large number of points, and overall visualization of dye transport through the flow network were completed. Scale-up issues that that were incorporated in the experiment design include Reynolds number, pressure drop across nodes, and pipe friction and roughness. The scale was chosen to be 20:1, so the 10 inch main was modeled with a 0.5 inch pipe in the physical model. Controlled validation tracer tests were run to provide validation to flow and transport models, especially of the degree of mixing at pipe junctions. Results of the pipe mixing experiments showed large deviations from predicted behavior and these have a large impact on standard network operations models.3

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Diffractive Optics in the Infrared (DiOptIR) LDRD 67109 final report

Kemme, Shanalyn A.; Peters, David; Shields, Eric A.; Wendt, Joel R.; Vawter, Gregory A.

This diffractive optical element (DOE) LDRD is divided into two tasks. In Task 1, we develop two new DOE technologies: (1) a broad wavelength band effective anti-reflection (AR) structure and (2) a design tool to encode dispersion and polarization information into a unique diffraction pattern. In Task 2, we model, design, and fabricate a subwavelength polarization splitter. The first technology is an anti-reflective (AR) layer that may be etched into the DOE surface. For many wavelengths of interest, transmissive silicon DOEs are ideal. However, a significant portion of light (30% from each surface) is lost due to Fresnel reflection. To address this issue, we investigate a subwavelength, surface relief structure that acts as an effective AR coating. The second DOE component technology in Task 1 is a design tool to determine the optimal DOE surface relief structure that can encode the light's degree of dispersion and polarization into a unique spatial pattern. Many signals of interest have unique spatial, temporal, spectral, and polarization signatures. The ability to disperse the signal into a unique diffraction pattern would result in improved signal detection sensitivity with a simultaneous reduction in false alarm. Task 2 of this LDRD project is to investigate the modeling, design, and fabrication of subwavelength birefringent devices for polarimetric spectral sensing and imaging applications. Polarimetric spectral sensing measures the spectrum of the light and polarization state of light at each wavelength simultaneously. The capability to obtain both polarization and spectral information can help develop target/object signature and identify the target/object for several applications in NP&MC and national security.

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Consequence management, recovery & restoration after a contamination event

James, Scott; Roberts, Jesse D.

The fate of contaminants after a dispersal event is a major concern, and waterways may be particularly sensitive to such an incident. Contaminants could be introduced directly into a water system (municipal or general) or indirectly (Radiological Dispersal Device) from aerial dispersion, precipitation, or improper clean-up techniques that may wash contamination into storm water drains, sewer systems, rivers, lakes, and reservoirs. Most radiological, chemical, and biological contaminants have an affinity for sediments and organic matter in the water system. If contaminated soils enter waterways, a plume of contaminated sediments could be left behind, subject to remobilization during the next storm event. Or, contaminants could remain in place, thus damaging local ecosystems. Suitable planning and deployment of resources to manage such a scenario could considerably mitigate the severity of the event. First responses must be prearranged so that clean-up efforts do not increase dispersal and exacerbate the problem. Interactions between the sediment, contaminant, and water cycle are exceedingly complex and poorly understood. This research focused on the development of a risk-based model that predicts the fate of introduced contaminants in surface water systems. Achieving this goal requires integrating sediment transport with contaminant chemical reactions (sorption and desorption) and surface water hydrodynamics. Sandia leveraged its existing state-of-the-art capabilities in sediment transport measurement techniques, hydrochemistry, high performance computing, and performance assessment modeling in an effort to accomplish this task. In addition, the basis for the physical hydrodynamics is calculated with the EPA sponsored, public domain model, Environmental Fluid Dynamics Code (EFDC). The results of this effort will enable systems analysis and numerical simulation that allow the user to determine both short term and long-term consequences of contamination of waterways as well as to help formulate preventative and remedial strategies.

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A review of research in the field of nanorobotics

Weir, Nathan; Jones, James F.; Aragon, Dannelle S.

This report highlights the findings of an extensive review of the literature in the area of nanorobotics. The main goal of this midyear LDRD effort is to survey and identify accomplishments and advancements that have been made in this relatively new and emerging field. As a result, it may be determined what routes in the area of nanorobotics are scientifically plausible and technically useful so that the Intelligent Systems and Robotics Center can position itself to play a role in the future development of nanotechnology.

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Real-time discriminatory sensors for water contamination events :LDRD 52595 final report

Robinson, Alex; Showalter, Steven K.; Lewis, Patrick R.; Wheeler, David R.; Shelmidine, G.J.; Carrejo-Simpkins, Kimberly; Dirk, Shawn M.; Borek, Theodore T.; Irwin, Adriane N.

The gas-phase {mu}ChemLab{trademark} developed by Sandia can detect volatile organics and semi-volatiles organics via gas phase sampling . The goal of this three year Laboratory Directed Research and Development (LDRD) project was to adapt the components and concepts used by the {mu}ChemLab{trademark} system towards the analysis of water-borne chemicals of current concern. In essence, interfacing the gas-phase {mu}ChemLab{trademark} with water to bring the significant prior investment of Sandia and the advantages of microfabrication and portable analysis to a whole new world of important analytes. These include both chemical weapons agents and their hydrolysis products and disinfection by-products such as Trihalomethanes (THMs) and haloacetic acids (HAAs). THMs and HAAs are currently regulated by EPA due to health issues, yet water utilities do not have rapid on-site methods of detection that would allow them to adjust their processes quickly; protecting consumers, meeting water quality standards, and obeying regulations more easily and with greater confidence. This report documents the results, unique hardware and devices, and methods designed during the project toward the goal stated above. It also presents and discusses the portable field system to measure THMs developed in the course of this project.

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Confidence region estimation techniques for nonlinear regression :three case studies

Vugrin, Kay E.W.; Swiler, Laura P.; Roberts, Randall M.

This work focuses on different methods to generate confidence regions for nonlinear parameter identification problems. Three methods for confidence region estimation are considered: a linear approximation method, an F-test method, and a Log-Likelihood method. Each of these methods are applied to three case studies. One case study is a problem with synthetic data, and the other two case studies identify hydraulic parameters in groundwater flow problems based on experimental well-test results. The confidence regions for each case study are analyzed and compared. Although the F-test and Log-Likelihood methods result in similar regions, there are differences between these regions and the regions generated by the linear approximation method for nonlinear problems. The differing results, capabilities, and drawbacks of all three methods are discussed.

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Novel in situ mechanical testers to enable integrated metal surface micro-machines

Hearne, Sean J.; De Boer, Maarten P.; Foiles, Stephen M.; Kotula, Paul G.; Dyck, Christopher; Follstaedt, David M.; Buchheit, Thomas E.

The ability to integrate metal and semiconductor micro-systems to perform highly complex functions, such as RF-MEMS, will depend on developing freestanding metal structures that offer improved conductivity, reflectivity, and mechanical properties. Three issues have prevented the proliferation of these systems: (1) warpage of active components due to through-thickness stress gradients, (2) limited component lifetimes due to fatigue, and (3) low yield strength. To address these issues, we focus on developing and implementing techniques to enable the direct study of the stress and microstructural evolution during electrodeposition and mechanical loading. The study of stress during electrodeposition of metal thin films is being accomplished by integrating a multi-beam optical stress sensor into an electrodeposition chamber. By coupling the in-situ stress information with ex-situ microstructural analysis, a scientific understanding of the sources of stress during electrodeposition will be obtained. These results are providing a foundation upon which to develop a stress-gradient-free thin film directly applicable to the production of freestanding metal structures. The issues of fatigue and yield strength are being addressed by developing novel surface micromachined tensile and bend testers, by interferometry, and by TEM analysis. The MEMS tensile tester has a ''Bosch'' etched hole to allow for direct viewing of the microstructure in a TEM before, during, and after loading. This approach allows for the quantitative measurements of stress-strain relations while imaging dislocation motion, and determination of fracture nucleation in samples with well-known fatigue/strain histories. This technique facilitates the determination of the limits for classical deformation mechanisms and helps to formulate a new understanding of the mechanical response as the grain sizes are refined to a nanometer scale. Together, these studies will result in a science-based infrastructure to enhance the production of integrated metal--semiconductor systems and will directly impact RF MEMS and LIGA technologies at Sandia.

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Agricultural pathogen decontamination technology-reducing the threat of infectious agent spread

Betty, Rita G.; Bieker, Jill M.; Tucker, Mark D.

Outbreaks of infectious agricultural diseases, whether natural occurring or introduced intentionally, could have catastrophic impacts on the U.S. economy. Examples of such agricultural pathogens include foot and mouth disease (FMD), avian influenza (AI), citrus canker, wheat and soy rust, etc. Current approaches to mitigate the spread of agricultural pathogens include quarantine, development of vaccines for animal diseases, and development of pathogen resistant crop strains in the case of plant diseases. None of these approaches is rapid, and none address the potential persistence of the pathogen in the environment, which could lead to further spread of the agent and damage after quarantine is lifted. Pathogen spread in agricultural environments commonly occurs via transfer on agricultural equipment (transportation trailers, tractors, trucks, combines, etc.), having components made from a broad range of materials (galvanized and painted steel, rubber tires, glass and Plexiglas shields, etc), and under conditions of heavy organic load (mud, soil, feces, litter, etc). A key element of stemming the spread of an outbreak is to ensure complete inactivation of the pathogens in the agricultural environment and on the equipment used in those environments. Through the combination of enhanced agricultural pathogen decontamination chemistry and a validated inactivation verification methodology, important technologies for incorporation as components of a robust response capability will be enabled. Because of the potentially devastating economic impact that could result from the spread of infectious agricultural diseases, the proposed capability components will promote critical infrastructure protection and greater border and food supply security. We investigated and developed agricultural pathogen decontamination technologies to reduce the threat of infectious-agent spread, and thus enhance agricultural biosecurity. Specifically, enhanced detergency versions of the patented Sandia decontamination chemistry were developed and tested against a few surrogate pathogens under conditions of relatively heavy organic load. Tests were conducted on surfaces commonly found in agricultural environments. Wide spectrum decontamination efficacy, low corrosivity, and biodegradability issues were addressed in developing an enhanced detergency formulation. A method for rapid assessment of loss of pathogenic activity (inactivation) was also assessed. This enhanced technology will enable rapid assessment of contamination following an intentional event, and will also be extremely useful in routine assessment of agricultural environments. The primary effort during the second year was progress towards a demonstration of both decontamination and viral inactivation technologies of Foot and Mouth virus (FMDv) using the modified SNL chemistry developed through this project. Lab studies using a surrogate virus (bovine enterovirus) were conducted using DF200, modified DF200 chemistry, and decontaminants currently recommended for use in heavily loaded organic, agricultural environments (VirkonS, 10% bleach, sodium hydroxide and citric acid). Tests using actual FMD virus will be performed at the Department of Homeland Security's Plum Island facilities in the fall of 2005. Success and the insight gained from this project will lead to enhanced response capability, which will benefit agencies such as USDA, DHS, DOD, and the agricultural industry.

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A comparison of eigensolvers for large-scale 3D modal analysis using AMG-preconditioned iterative methods

International Journal for Numerical Methods in Engineering

Arbenz, Peter; Hetmaniuk, Ulrich; Lehoucq, Rich; Tuminaro, Raymond S.

The goal of our paper is to compare a number of algorithms for computing a large number of eigenvectors of the generalized symmetric eigenvalue problem arising from a modal analysis of elastic structures. The shift-invert Lanczos algorithm has emerged as the workhorse for the solution of this generalized eigenvalue problem; however, a sparse direct factorization is required for the resulting set of linear equations. Instead, our paper considers the use of preconditioned iterative methods. We present a brief review of available preconditioned eigensolvers followed by a numerical comparison on three problems using a scalable algebraic multigrid (AMG) preconditioner. Copyright © 2005 John Wiley & Sons, Ltd.

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Surface wetting of liquid nanodroplets: Droplet-size effects

Physical Review Letters

Heine, David R.; Grest, Gary S.; Webb, Edmund B.

The spreading of liquid nanodroplets of different initial radii R0 is studied using molecular dynamics simulation. Results for two distinct systems, Pb on Cu(111), which is nonwetting, and a coarse-grained polymer model, which wets the surface, are presented for Pb droplets ranging in size from ∼55000 to 220000 atoms and polymer droplets ranging in size from ∼200000 to 780000 monomers. In both cases, a precursor foot precedes the spreading of the main droplet. This precursor foot spreads as rf2(t)=2Defft with an effective diffusion constant that exhibits a droplet-size dependence Deff∼R01/2. The radius of the main droplet rb(t)∼R04/5 is in agreement with kinetic models for the cylindrical geometry studied. © 2005 The American Physical Society.

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A four-parameter Iwan model for lap-type joints

Journal of Applied Mechanics, Transactions ASME

Segalman, Daniel J.

The constitutive behavior of mechanical joints is largely responsible for the energy dissipation and vibration damping in built-up structures. For reasons arising from the dramatically different length scales associated with those dissipative mechanisms and the length scales characteristic of the overall structure, this physics cannot be captured through direct numerical simulation (DNS) of the contact mechanics within a structural dynamics analysis. The difficulties of DNS manifest themselves either in terms of Courant times that are orders of magnitude smaller than that necessary for structural dynamics analysis or as intractable conditioning problems. The only practical method for accommodating the nonlinear nature of joint mechanisms within structural dynamic analysis is through constitutive models employing degrees of freedom natural to the scale of structural dynamics. In this way, development of constitutive models for joint response is a prerequisite for a predictive structural dynamics capability. A four-parameter model, built on a framework developed by Iwan, is used to reproduce the qualitative and quantitative properties of lap-type joints. In the development presented here, the parameters are deduced by matching joint stiffness under low load, the force necessary to initiate macroslip, and experimental values of energy dissipation in harmonic loading. All the necessary experiments can be performed on real hardware or virtually via fine-resolution, nonlinear quasistatic finite elements. The resulting constitutive model can then be used to predict the force/displacement results from arbitrary load histories. copyright © 2005 by ASME.

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A four-parameter Iwan model for lap-type joints

Journal of Applied Mechanics Transactions ASME

Segalman, Daniel J.

The constitutive behavior of mechanical joints is largely responsible for the energy dissipation and vibration damping in built-up structures. For reasons arising from the dramatically different length scales associated with those dissipative mechanisms and the length scales characteristic of the overall structure, this physics cannot be captured through direct numerical simulation (DNS) of the contact mechanics within a structural dynamics analysis. The difficulties of DNS manifest themselves either in terms of Courant times that are orders of magnitude smaller than that necessary for structural dynamics analysis or as intractable conditioning problems. The only practical method for accommodating the nonlinear nature of joint mechanisms within structural dynamic analysis is through constitutive models employing degrees of freedom natural to the scale of structural dynamics. In this way, development of constitutive models for joint response is a prerequisite for a predictive structural dynamics capability. A four-parameter model, built on a framework developed by Iwan, is used to reproduce the qualitative and quantitative properties of lap-type joints. In the development presented here, the parameters are deduced by matching joint stiffness under low load, the force necessary to initiate macroslip, and experimental values of energy dissipation in harmonic loading. All the necessary experiments can be performed on real hardware or virtually via fine-resolution, nonlinear quasistatic finite elements. The resulting constitutive model can then be used to predict the force/displacement results from arbitrary load histories. copyright © 2005 by ASME.

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Simple temporal pulse shaping using two Pockels cells

Optical Engineering

Schwarz, Jens; Rambo, Patrick K.; Smith, Ian C.; Porter, John

We use two Pockels cells in series to achieve simple temporal pulse shaping. This technique is used in our optical parametric chirp pulse amplification (OPCPA) system to optimize the temporal shape of the pump pulse. It also offers a low cost alternative to arbitrary waveform generators. © 2005 Society of Photo-Optical Instrumentation Engineers.

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ITS version 5.0 :the integrated TIGER series of coupled electron/Photon monte carlo transport codes with CAD geometry

Franke, Brian C.; Kensek, Ronald P.; Laub, Thomas W.

ITS is a powerful and user-friendly software package permitting state-of-the-art Monte Carlo solution of linear time-independent coupled electron/photon radiation transport problems, with or without the presence of macroscopic electric and magnetic fields of arbitrary spatial dependence. Our goal has been to simultaneously maximize operational simplicity and physical accuracy. Through a set of preprocessor directives, the user selects one of the many ITS codes. The ease with which the makefile system is applied combines with an input scheme based on order-independent descriptive keywords that makes maximum use of defaults and internal error checking to provide experimentalists and theorists alike with a method for the routine but rigorous solution of sophisticated radiation transport problems. Physical rigor is provided by employing accurate cross sections, sampling distributions, and physical models for describing the production and transport of the electron/photon cascade from 1.0 GeV down to 1.0 keV. The availability of source code permits the more sophisticated user to tailor the codes to specific applications and to extend the capabilities of the codes to more complex applications. Version 5.0, the latest version of ITS, contains (1) improvements to the ITS 3.0 continuous-energy codes, (2) multigroup codes with adjoint transport capabilities, (3) parallel implementations of all ITS codes, (4) a general purpose geometry engine for linking with CAD or other geometry formats, and (5) the Cholla facet geometry library. Moreover, the general user friendliness of the software has been enhanced through increased internal error checking and improved code portability.

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Laboratory evaluation of corrosion mitigation strategies for large, once-through heat exchangers

Materials Performance

Enos, David; Levin, Bruce L.; Hinkebein, Thomas E.

Two mitigation strategies including the use of corrosion resistant alloys (CRA) for the tubing and the application of a corrosion inhibitor and anti-fouling package in the water were used in the laboratory simulation of corrosion in large oil coolers at US Strategic Petroleum Reserve. A closed-loop, recirculating system was designed and constructed. The corrosion sensors were monitored over time using a commercially available linear polarization resistance (LPR) meter. The ERW steel exhibited significant localized attack along the entire weld root, in addition to pitting along the rest of the surface, as observed on the seamless tubing.

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A sensor management architecture concept for monitoring emissions from open-air demil operations

Horn, Brent A.; Foltz, Greg W.; Johnson, Michael M.; Stoddard, Mary C.

Sandia National Laboratories, CA proposed a sensor concept to detect emissions from open-burning/open-detonation (OB/OD) events. The system would serve two purposes: (1) Provide data to demilitarization operations about process efficiency, allowing process optimization for cleaner emissions and higher efficiency. (2) Provide data to regulators and neighboring communities about materials dispersing into the environment by OB/OD operations. The proposed sensor system uses instrument control hardware and data visualization software developed at Sandia National Laboratories to link together an array of sensors to monitor emissions from OB/OD events. The suite of sensors would consist of various physical and chemical detectors mounted on stationary or mobile platforms. The individual sensors would be wirelessly linked to one another and controlled through a central command center. Real-time data collection from the sensors, combined with integrated visualization of the data at the command center, would allow for feedback to the sensors to alter operational conditions to adjust for changing needs (i.e., moving plume position, increased spatial resolution, increased sensitivity). This report presents a systems study of the problem of implementing a sensor system for monitoring OB/OD emissions. The goal of this study was to gain a fuller understanding of the political, economic, and technical issues for developing and fielding this technology.

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Safety implications of a large LNG tanker spill over water

Process Safety Progress

Hightower, Michael; Gritzo, Louis A.; Luketa, Anay

The increasing demand for natural gas in the United States could significantly increase the number and frequency of marine LNG (liquefied natural gas) imports. Although many studies have been conducted to assess the consequences and risks of potential LNG spills, the increasing importance of LNG imports suggests that consistent methods and approaches be identified and implemented to help ensure protection of public safety and property from a potential LNG spill. For that reason, the U.S. Department of Energy (DOE), Office of Fossil Energy, requested that Sandia National Laboratories (Sandia) develop guidance on a risk-based analysis approach to assess and quantify potential threats to an LNG ship, the potential hazards and consequences of a large spill from an LNG ship, and review prevention and mitigation strategies that could be implemented to reduce both the potential and the risks of an LNG spill over water. Specifically, DOE requested: • An in-depth literature search of the experimental and technical studies associated with evaluating the safety and hazards of an LNG spill from an LNG ship • A detailed review of four recent spill modeling studies related to the safety implications of a large-scale LNG spill over water • Evaluation of the potential for breaching an LNG ship cargo tank, both accidentally and intentionally, identification of the potential for such breaches and the potential size of an LNG spill of each breach scenario, and an assessment of the potential range of hazards involed in an LNG spill • Development of guidance on the use of modern, performance-based, risk management approaches to analyze and manage the threats, hazards, and consequences of an LNG spill over water to reduce the overall risks of an LNG spill to level that are protective of public safety and property. This paper provides an overview of the conclusions and recommendation from that study. © 2005 American Institute of Chemical Engineers.

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Constructor:synthesizing information about uncertain variables

Tucker, W.T.; Ferson, Scott; Hajagos, Janos; Myers, David S.

Constructor is software for the Microsoft Windows microcomputer environment that facilitates the collation of empirical information and expert judgment for the specification of probability distributions, probability boxes, random sets or Dempster-Shafer structures from data, qualitative shape information, constraints on moments, order statistics, densities, and coverage probabilities about uncertain unidimensional quantities. These quantities may be real-valued, integer-valued or logical values.

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A joint computational and experimental study to evaluate Inconel-sheathed thermocouple performance in flames

Brundage, Aaron

A joint experimental and computational study was performed to evaluate the capability of the Sandia Fire Code VULCAN to predict thermocouple response temperature. Thermocouple temperatures recorded by an Inconel-sheathed thermocouple inserted into a near-adiabatic flat flame were predicted by companion VULCAN simulations. The predicted thermocouple temperatures were within 6% of the measured values, with the error primarily attributable to uncertainty in Inconel 600 emissivity and axial conduction losses along the length of the thermocouple assembly. Hence, it is recommended that future thermocouple models (for Inconel-sheathed designs) include a correction for axial conduction. Given the remarkable agreement between experiment and simulation, it is recommended that the analysis be repeated for thermocouples in flames with pollutants such as soot.

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Multi-unit operations considerations

Gilmore, Walter E.; Bennett, Thomas C.; Brannon, Nathan G.

Several nuclear weapons programs have or are pursuing the implementation of multi-unit operations for tasks such as disassembly and inspection, and rebuild. A multi-unit operation is interpreted to mean the execution of nuclear explosive operating procedures in a single facility by two separate teams of technicians. The institution of a multi-unit operations program requires careful consideration of the tools, resources, and environment provided to the technicians carrying out the work. Therefore, a systematic approach is necessary to produce safe, secure, and reliable processes. In order to facilitate development of a more comprehensive multi-unit operations program, the current work details categorized issues that should be addressed prior to the implementation of multi-unit operations in a given weapons program. The issues have been organized into the following categories: local organizational conditions, work process flow/material handling/workplace configuration, ambient environmental conditions, documented safety analysis, and training.

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Calendar year 2004 annual site environmental report:Sandia National Laboratories, Albuquerque, New Mexico

Salinas, Stephanie A.

Sandia National Laboratories, New Mexico (SNL/NM) is a government-owned, contractor-operated facility owned by the U.S. Department of Energy (DOE), National Nuclear Security Administration (NNSA) and managed by the Sandia Site Office (SSO), Albuquerque, New Mexico. Sandia Corporation, a wholly-owned subsidiary of Lockheed Martin Corporation, operates SNL/NM. This annual report summarizes data and the compliance status of Sandia Corporation's environmental protection and monitoring programs through December 31, 2004. Major environmental programs include air quality, water quality, groundwater protection, terrestrial surveillance, waste management, pollution prevention (P2), environmental restoration (ER), oil and chemical spill prevention, and the National Environmental Policy Act (NEPA). Environmental monitoring and surveillance programs are required by DOE Order 450.1, Environmental Protection Program (DOE 2005) and DOE Order 231.1A, Environment, Safety, and Health Reporting (DOE 2004a). (DOE 2004a).

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Failure analysis issues in microelectromechanical systems (MEMS)

Microelectronics Reliability

Walraven, Jeremy

Failure analysis and device characterization of MEMS components are critical steps in understanding the root causes of failure and improving device performance. At the wafer and die level these tasks can be performed with little or no sample preparation. Larger challenges occur after fabrication when the device is packaged, capped, sealed, or otherwise obstructed from view. The challenges and issues of MEMS failure analysis lie in identifying the root cause of failure for these packaged, capped, and sealed devices without perturbing the device or its immediate environment. Novel methods of ainin access to the device or preparing the device for analysis are crucial to accurately determining the root cause of failure. This paper will discuss issues identified in performing root cause failure analysis of packaged MEMS devices, as well as the methods employed to analyze them. © 2005 Elsevier Ltd. All rights reserved.

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Calendar Year 2004 annual site environmental report : Tonopah Test Range, Nevada & Kauai Test Facility, Hawaii

Salinas, Stephanie A.

Tonopah Test Range (TTR) in Nevada and Kauai Test Facility (KTF) in Hawaii are government-owned, contractor-operated facilities operated by Sandia Corporation, a subsidiary of Lockheed Martin Corporation. The U.S. Department of Energy (DOE), National Nuclear Security Administration (NNSA), through the Sandia Site Office (SSO), in Albuquerque, NM, manages TTR and KTF's operations. Sandia Corporation conducts operations at TTR in support of DOE/NNSA's Weapons Ordnance Program and has operated the site since 1957. Westinghouse Government Services subcontracts to Sandia Corporation in administering most of the environmental programs at TTR. Sandia Corporation operates KTF as a rocket preparation launching and tracking facility. This Annual Site Environmental Report (ASER) summarizes data and the compliance status of the environmental protection and monitoring program at TTR and KTF through Calendar Year (CY) 2004. The compliance status of environmental regulations applicable at these sites include state and federal regulations governing air emissions, wastewater effluent, waste management, terrestrial surveillance, and Environmental Restoration (ER) cleanup activities. Sandia Corporation is responsible only for those environmental program activities related to its operations. The DOE/NNSA, Nevada Site Office (NSO) retains responsibility for the cleanup and management of ER TTR sites. Currently, there are no ER Sites at KTF. Environmental monitoring and surveillance programs are required by DOE Order 450.1, Environmental Protection Program (DOE 2005) and DOE Order 231.1A, Environment, Safety, and Health Reporting (DOE 2004b).

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High-speed micro-electro-discharge machining

Benavides, Gilbert L.

When two electrodes are in close proximity in a dielectric liquid, application of a voltage pulse can produce a spark discharge between them, resulting in a small amount of material removal from both electrodes. Pulsed application of the voltage at discharge energies in the range of micro-Joules results in the continuous material removal process known as micro-electro-discharge machining (micro-EDM). Spark erosion by micro-EDM provides significant opportunities for producing small features and micro-components such as nozzle holes, slots, shafts and gears in virtually any conductive material. If the speed and precision of micro-EDM processes can be significantly enhanced, then they have the potential to be used for a wide variety of micro-machining applications including fabrication of microelectromechanical system (MEMS) components. Toward this end, a better understanding of the impacts the various machining parameters have on material removal has been established through a single discharge study of micro-EDM and a parametric study of small hole making by micro-EDM. The main avenues for improving the speed and efficiency of the micro-EDM process are in the areas of more controlled pulse generation in the power supply and more controlled positioning of the tool electrode during the machining process. Further investigation of the micro-EDM process in three dimensions leads to important design rules, specifically the smallest feature size attainable by the process.

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Analysis of vortex-induced counter torque and fin pressure on a finned body of revolution

Chang, Leyen S.

Finned bodies of revolution firing lateral jets in flight may experience lower spin rates than predicted. This reduction in spin rate is a result of vortices generated by the interaction between the lateral jets and freestream air flowing past the body. The vortices change the pressure distribution on the fins, inducing a counter torque that opposes the desired spin. Wind tunnel data measuring roll torque and fin pressures were collected for a full-scale model at varying angle of attack, roll angle, airspeed, and jet strength. The current analysis builds upon previously written code that computes torque by integrating pressure over the fin surfaces at 0{sup o} angle of attack. The code was modified to investigate the behavior of counter torque at different angles of attack and roll angles as a function of J, the ratio of jet dynamic pressure to freestream dynamic pressure. Numerical error analysis was applied to all data to assist with interpretation of results. Results show that agreement between balance and fin pressure counter torque at 0{sup o} angle of attack was not as close as previously believed. Counter torque at 4{sup o} angle of attack was higher than at 0{sup o}, and agreement between balance and fin pressure counter torque was closer. Plots of differential fin pressure coefficient revealed a region of high pressure at the leading edge and an area of low pressure over the center and aft regions of the tapped surface. Large differences in the counter-torque coefficient were found between various freestream dynamic pressures, especially at Mach 0.95 and 1.1. Roll angle had significant effect only for cases at angle of attack, where it caused counter torque to change unpredictably.

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The cost of geothermal energy in the western US region:a portfolio-based approach a mean-variance portfolio optimization of the regions' generating mix to 2013

Drennen, Thomas E.

Energy planning represents an investment-decision problem. Investors commonly evaluate such problems using portfolio theory to manage risk and maximize portfolio performance under a variety of unpredictable economic outcomes. Energy planners need to similarly abandon their reliance on traditional, ''least-cost'' stand-alone technology cost estimates and instead evaluate conventional and renewable energy sources on the basis of their portfolio cost--their cost contribution relative to their risk contribution to a mix of generating assets. This report describes essential portfolio-theory ideas and discusses their application in the Western US region. The memo illustrates how electricity-generating mixes can benefit from additional shares of geothermal and other renewables. Compared to fossil-dominated mixes, efficient portfolios reduce generating cost while including greater renewables shares in the mix. This enhances energy security. Though counter-intuitive, the idea that adding more costly geothermal can actually reduce portfolio-generating cost is consistent with basic finance theory. An important implication is that in dynamic and uncertain environments, the relative value of generating technologies must be determined not by evaluating alternative resources, but by evaluating alternative resource portfolios. The optimal results for the Western US Region indicate that compared to the EIA target mixes, there exist generating mixes with larger geothermal shares at equal-or-lower expected cost and risk.

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IFP V4.0:a polar-reformatting image formation processor for synthetic aperture radar

Eichel, Paul H.

IFP V4.0 is the fourth generation of an extraordinarily powerful and flexible image formation processor for spotlight mode synthetic aperture radar. It has been successfully utilized in processing phase histories from numerous radars and has been instrumental in the development of many new capabilities for spotlight mode SAR. This document provides a brief history of the development of IFP, a full exposition of the signal processing steps involved, and a short user's manual for the software implementing this latest iteration.

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Extreme inputs/outputs for multiple input multiple output linear systems

Smallwood, David O.

A linear structure is excited at multiple points with a stationary normal random process. The response of the structure is measured at multiple outputs. If the auto spectral densities of the inputs are specified, the phase relationships between the inputs are derived that will minimize or maximize the trace of the auto spectral density matrix of the outputs. If the autospectral densities of the outputs are specified, the phase relationships between the outputs that will minimize or maximize the trace of the input auto spectral density matrix are derived. It is shown that other phase relationships and ordinary coherence less than one will result in a trace intermediate between these extremes. Least favorable response and some classes of critical response are special cases of the development. It is shown that the derivation for stationary random waveforms can also be applied to nonstationary random, transients, and deterministic waveforms.

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Final report for the mobile node authentication LDRD project

Michalski, John T.; Lanzone, Andrew J.

In hostile ad hoc wireless communication environments, such as battlefield networks, end-node authentication is critical. In a wired infrastructure, this authentication service is typically facilitated by a centrally-located ''authentication certificate generator'' such as a Certificate Authority (CA) server. This centralized approach is ill-suited to meet the needs of mobile ad hoc networks, such as those required by military systems, because of the unpredictable connectivity and dynamic routing. There is a need for a secure and robust approach to mobile node authentication. Current mechanisms either assign a pre-shared key (shared by all participating parties) or require that each node retain a collection of individual keys that are used to communicate with other individual nodes. Both of these approaches have scalability issues and allow a single compromised node to jeopardize the entire mobile node community. In this report, we propose replacing the centralized CA with a distributed CA whose responsibilities are shared between a set of select network nodes. To that end, we develop a protocol that relies on threshold cryptography to perform the fundamental CA duties in a distributed fashion. The protocol is meticulously defined and is implemented it in a series of detailed models. Using these models, mobile wireless scenarios were created on a communication simulator to test the protocol in an operational environment and to gather statistics on its scalability and performance.

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A novel polar format algorithm for SAR images utilizing post azimuth transform interpolation

Martin, Grant D.; Doerry, Armin W.; Holzrichter, Michael W.

SAR phase history data represents a polar array in the Fourier space of a scene being imaged. Polar Format processing is about reformatting the collected SAR data to a Cartesian data location array for efficient processing and image formation. In a real-time system, this reformatting or ''re-gridding'' operation is the most processing intensive, consuming the majority of the processing time; it also is a source of error in the final image. Therefore, any effort to reduce processing time while not degrading image quality is valued. What is proposed in this document is a new way of implementing real-time polar-format processing through a variation on the traditional interpolation/2-D Fast Fourier Transform (FFT) algorithm. The proposed change is based upon the frequency scaling property of the Fourier Transform, which allows a post azimuth FFT interpolation. A post azimuth processing interpolation provides overall benefits to image quality and potentially more efficient implementation of the polar format image formation process.

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High pressure sulfuric acid decomposition experiments for the sulfur-iodine thermochemical cycle

Gelbard, Fred M.; Andazola, James C.; Naranjo, Gerald E.; Velasquez, Carlos E.

A series of three pressurized sulfuric acid decomposition tests were performed to (1) obtain data on the fraction of sulfuric acid catalytically converted to sulfur dioxide, oxygen, and water as a function of temperature and pressure, (2) demonstrate real-time measurements of acid conversion for use as process control, (3) obtain multiple measurements of conversion as a function of temperature within a single experiment, and (4) assess rapid quenching to minimize corrosion of metallic components by undecomposed acid. All four of these objectives were successfully accomplished. This report documents the completion of the NHI milestone on high pressure H{sub 2}SO{sub 4} decomposition tests for the Sulfur-Iodine (SI) thermochemical cycle project. All heated sections of the apparatus, (i.e. the boiler, decomposer, and condenser) were fabricated from Hastelloy C276. A ceramic acid injection tube and a ceramic-sheathed thermocouple were used to minimize corrosion of hot liquid acid on the boiler surfaces. Negligible fracturing of the platinum on zirconia catalyst was observed in the high temperature decomposer. Temperature measurements at the exit of the decomposer and at the entry of the condenser indicated that the hot acid vapors were rapidly quenched from about 400 C to less than 20 C within a 14 cm length of the flow path. Real-time gas flow rate measurements of the decomposition products provided a direct measurement of acid conversion. Pressure in the apparatus was preset by a pressure-relief valve that worked well at controlling the system pressure. However, these valves sometimes underwent abrupt transitions that resulted in rapidly varying gas flow rates with concomitant variations in the acid conversion fraction.

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Algorithms and architectures for high performance analysis of semantic graphs

Hendrickson, Bruce A.

Semantic graphs offer one promising avenue for intelligence analysis in homeland security. They provide a mechanism for describing a wide variety of relationships between entities of potential interest. The vertices are nouns of various types, e.g. people, organizations, events, etc. Edges in the graph represent different types of relationships between entities, e.g. 'is friends with', 'belongs-to', etc. Semantic graphs offer a number of potential advantages as a knowledge representation system. They allow information of different kinds, and collected in differing ways, to be combined in a seamless manner. A semantic graph is a very compressed representation of some of relationship information. It has been reported that the semantic graph can be two orders of magnitude smaller than the processed intelligence data. This allows for much larger portions of the data universe to be resident in computer memory. Many intelligence queries that are relevant to the terrorist threat are naturally expressed in the language of semantic graphs. One example is the search for 'interesting' relationships between two individuals or between an individual and an event, which can be phrased as a search for short paths in the graph. Another example is the search for an analyst-specified threat pattern, which can be cast as an instance of subgraph isomorphism. It is important to note than many kinds of analysis are not relationship based, so these are not good candidates for semantic graphs. Thus, a semantic graph should always be used in conjunction with traditional knowledge representation and interface methods. Operations that involve looking for chains of relationships (e.g. friend of a friend) are not efficiently executable in a traditional relational database. However, the semantic graph can be thought of as a pre-join of the database, and it is ideally suited for these kinds of operations. Researchers at Sandia National Laboratories are working to facilitate semantic graph analysis. Since intelligence datasets can be extremely large, the focus of this work is on the use of parallel computers. We have been working to develop scalable parallel algorithms that will be at the core of a semantic graph analysis infrastructure. Our work has involved two different thrusts, corresponding to two different computer architectures. The first architecture of interest is distributed memory, message passing computers. These machines are ubiquitous and affordable, but they are challenging targets for graph algorithms. Much of our distributed-memory work to date has been collaborative with researchers at Lawrence Livermore National Laboratory and has focused on finding short paths on distributed memory parallel machines. Our implementation on 32K processors of BlueGene/Light finds shortest paths between two specified vertices in just over a second for random graphs with 4 billion vertices.

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Bio micro fuel cell grand challenge final report

Apblett, Christopher A.; Novak, Jim; Hudgens, James J.; Podgorski, Jason; Brozik, Susan M.; Flemming, Jeb H.; Ingersoll, David; Eisenbies, Stephen E.; Shul, Randy J.; Cornelius, Christopher J.; Fujimoto, Cy; Schubert, William K.; Hickner, Michael A.; Volponi, Joanne V.; Kelly, Michael J.; Zavadil, Kevin R.; Staiger, Chad L.; Dolan, Patricia L.; Harper, Jason C.; Doughty, Daniel H.; Casalnuovo, Stephen A.; Kelley, John B.; Simmons, Blake; Borek, Theodore T.; Meserole, Stephen; Alam, Todd M.; Cherry, Brian R.; Roberts, Greg

Abstract not provided.

Equipment compatibility and logistics assessment for containment foam deployment

Jones, Joseph A.; Mcroberts, Vincent M.; Martell, Mary-Alena M.

The deployment of the Joint Technical Operations Team (JTOT) is evolving toward a lean and mobile response team. As a result, opportunities to support more rapid mobilization are being investigated. This study investigates three specific opportunities including: (1) the potential of using standard firefighting equipment to support deployment of the aqueous foam concentrate (AFC-380); (2) determining the feasibility and needs for regional staging of equipment to reduce the inventory currently mobilized during a JTOT response; and (3) determining the feasibility and needs for development of the next generation AFC-380 to reduce the volume of foam concentrate required for a response. This study supports the need to ensure that requirements for alternative deployment schemes are understood and in place to support improved response activities.

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FOILFEST :community enabled security

Moore, Judy H.; Cummings, John C.; Drayer, Darryl D.; Johnson, Curtis M.; Whitley, John B.

The Advanced Concepts Group of Sandia National Laboratories hosted a workshop, ''FOILFest: Community Enabled Security'', on July 18-21, 2005, in Albuquerque, NM. This was a far-reaching look into the future of physical protection consisting of a series of structured brainstorming sessions focused on preventing and foiling attacks on public places and soft targets such as airports, shopping malls, hotels, and public events. These facilities are difficult to protect using traditional security devices since they could easily be pushed out of business through the addition of arduous and expensive security measures. The idea behind this Fest was to explore how the public, which is vital to the function of these institutions, can be leveraged as part of a physical protection system. The workshop considered procedures, space design, and approaches for building community through technology. The workshop explored ways to make the ''good guys'' in public places feel safe and be vigilant while making potential perpetrators of harm feel exposed and convinced that they will not succeed. Participants in the Fest included operators of public places, social scientists, technology experts, representatives of government agencies including DHS and the intelligence community, writers and media experts. Many innovative ideas were explored during the fest with most of the time spent on airports, including consideration of the local airport, the Albuquerque Sunport. Some provocative ideas included: (1) sniffers installed in passage areas like revolving door, escalators, (2) a ''jumbotron'' showing current camera shots in the public space, (3) transparent portal screeners allowing viewing of the screening, (4) a layered open/funnel/open/funnel design where open spaces are used to encourage a sense of ''communitas'' and take advantage of citizen ''sensing'' and funnels are technological tunnels of sensors (the tunnels of truth), (5) curved benches with blast proof walls or backs, (6) making it easy for the public to report, even if not sure/''non-event'' (e.g. ''I'm uncomfortable'') and processing those reports in aggregate not individually, (7) transforming the resident working population into a part-time undercover security/sensor force through more innovative training and (8) adding ambassadors/security that engage in unexpected conversation with the public. The group recommended that we take actions to pursue the following ideas next: (a) A concept for a mobile sensor transport (JMP); (b) Conduct a follow-on workshop; (c) Conduct social experiments/activities to see how people would react to the concepts related to community and security; (d) Explore further aesthetically pleasing, blast-resistance seating areas; and (e) The Art of Freedom (an educational, multi-media campaign).

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RoboHound:developing sample collection and preconcentration hardware for a remote trace explosives detection system

Baumann, Mark J.; Peterson, David; Carlson, Lee; Lenz, Michael C.; Hannum, David W.; Mitchell, Mary-Anne M.; Gladwell, Thomas; Hobart, Clinton; Anderson, Robert J.; Denning, David J.

The RoboHound{trademark} Project was a three-year, multiphase project at Sandia National Laboratories to build and refine a working prototype trace explosive detection system as a tool for a commercial robot. The RoboHound system was envisioned to be a tool for emergency responders to test suspicious items (i.e., packages or vehicles) for explosives while maintaining a safe distance. The project investigated combining Sandia's expertise in trace explosives detection with a wheeled robotic platform that could be programmed to interrogate suspicious items remotely for the presence of explosives. All of the RoboHound field tests were successful, especially with regards to the ability to collect and detect trace samples of RDX. The project has gone from remote sampling with human intervention to a fully automatic system that requires no human intervention until the robot returns from a sortie. A proposal is being made for additional work leading towards commercialization.

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Parameters affecting the resilience of scale-free networks to random failures

Link, Hamilton E.

It is commonly believed that scale-free networks are robust to massive numbers of random node deletions. For example, Cohen et al. in (1) study scale-free networks including some which approximate the measured degree distribution of the Internet. Their results suggest that if each node in this network failed independently with probability 0.99, most of the remaining nodes would still be connected in a giant component. In this paper, we show that a large and important subclass of scale-free networks are not robust to massive numbers of random node deletions. In particular, we study scale-free networks which have minimum node degree of 1 and a power-law degree distribution beginning with nodes of degree 1 (power-law networks). We show that, in a power-law network approximating the Internet's reported distribution, when the probability of deletion of each node is 0.5 only about 25% of the surviving nodes in the network remain connected in a giant component, and the giant component does not persist beyond a critical failure rate of 0.9. The new result is partially due to improved analytical accommodation of the large number of degree-0 nodes that result after node deletions. Our results apply to power-law networks with a wide range of power-law exponents, including Internet-like networks. We give both analytical and empirical evidence that such networks are not generally robust to massive random node deletions.

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Advancements in sensing and perception using structured lighting techniques :an LDRD final report

Padilla, Denise D.; Davidson Jr., Patrick A.; Carlson, Jeffrey; Novick, David

This report summarizes the analytical and experimental efforts for the Laboratory Directed Research and Development (LDRD) project entitled ''Advancements in Sensing and Perception using Structured Lighting Techniques''. There is an ever-increasing need for robust, autonomous ground vehicles for counterterrorism and defense missions. Although there has been nearly 30 years of government-sponsored research, it is undisputed that significant advancements in sensing and perception are necessary. We developed an innovative, advanced sensing technology for national security missions serving the Department of Energy, the Department of Defense, and other government agencies. The principal goal of this project was to develop an eye-safe, robust, low-cost, lightweight, 3D structured lighting sensor for use in broad daylight outdoor applications. The market for this technology is wide open due to the unavailability of such a sensor. Currently available laser scanners are slow, bulky and heavy, expensive, fragile, short-range, sensitive to vibration (highly problematic for moving platforms), and unreliable for outdoor use in bright sunlight conditions. Eye-safety issues are a primary concern for currently available laser-based sensors. Passive, stereo-imaging sensors are available for 3D sensing but suffer from several limitations : computationally intensive, require a lighted environment (natural or man-made light source), and don't work for many scenes or regions lacking texture or with ambiguous texture. Our approach leveraged from the advanced capabilities of modern CCD camera technology and Center 6600's expertise in 3D world modeling, mapping, and analysis, using structured lighting. We have a diverse customer base for indoor mapping applications and this research extends our current technology's lifecycle and opens a new market base for outdoor 3D mapping. Applications include precision mapping, autonomous navigation, dexterous manipulation, surveillance and reconnaissance, part inspection, geometric modeling, laser-based 3D volumetric imaging, simultaneous localization and mapping (SLAM), aiding first responders, and supporting soldiers with helmet-mounted LADAR for 3D mapping in urban-environment scenarios. The technology developed in this LDRD overcomes the limitations of current laser-based 3D sensors and contributes to the realization of intelligent machine systems reducing manpower need.

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Modeling microscale heat transfer using Calore

Torczynski, John R.; Wong, Chungnin C.; Piekos, Edward S.; Gallis, Michael A.; Rader, Daniel J.; Bainbridge, Bruce L.

Modeling microscale heat transfer with the computational-heat-transfer code Calore is discussed. Microscale heat transfer problems differ from their macroscopic counterparts in that conductive heat transfer in both solid and gaseous materials may have important noncontinuum effects. In a solid material, three noncontinuum effects are considered: ballistic transport of phonons across a thin film, scattering of phonons from surface roughness at a gas-solid interface, and scattering of phonons from grain boundaries within the solid material. These processes are modeled for polycrystalline silicon, and the thermal-conductivity values predicted by these models are compared to experimental data. In a gaseous material, two noncontinuum effects are considered: ballistic transport of gas molecules across a thin gap and accommodation of gas molecules to solid conditions when reflecting from a solid surface. These processes are modeled for arbitrary gases by allowing the gas and solid temperatures across a gas-solid interface to differ: a finite heat transfer coefficient (contact conductance) is imposed at the gas-solid interface so that the temperature difference is proportional to the normal heat flux. In this approach, the behavior of gas in the bulk is not changed from behavior observed under macroscopic conditions. These models are implemented in Calore as user subroutines. The user subroutines reside within Sandia's Source Forge server, where they undergo version control and regression testing and are available to analysts needing these capabilities. A Calore simulation is presented that exercises these models for a heated microbeam separated from an ambient-temperature substrate by a thin gas-filled gap. Failure to use the noncontinuum heat transfer models for the solid and the gas causes the maximum temperature of the microbeam to be significantly underpredicted.

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Flame height measurement of laminar inverse diffusion flames

Proposed for publication in Combustion and Flame.

Williams, Timothy C.; Shaddix, Christopher R.

Flame heights of co-flowing cylindrical ethylene-air and methane-air laminar inverse diffusion flames were measured. The luminous flame height was found to be greater than the height of the reaction zone determined by planar laser-induced fluorescence (PLIF) of hydroxyl radicals (OH) because of luminous soot above the reaction zone. However, the location of the peak luminous signals along the centerline agreed very well with the OH flame height. Flame height predictions using Roper's analysis for circular port burners agreed with measured reaction zone heights when using values for the characteristic diffusion coefficient and/or diffusion temperature somewhat different from those recommended by Roper. The fact that Roper's analysis applies to inverse diffusion flames is evidence that inverse diffusion flames are similar in structure to normal diffusion flames.

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Review of Sandia National Laboratories - Albuquerque New Mexico DOE/DP Critical Skills Development Progrmas FY04

Gorman, Anna K.; Wilson, Dominique; Clark, Katherine

Sandia National Laboratories has developed a portfolio of programs to address the critical skills needs of the DP labs, as identified by the 1999 Chiles Commission Report. The goals are to attract and retain the best and the brightest students and transition them into Sandia - and DP Complex - employees. The US Department of Energy/Defense Programs University Partnerships funded ten laboratory critical skills development programs in FY04. This report provides a qualitative and quantitative evaluation of these programs and their status. 3

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Sandia National Laboratories, California Quality Assurance Project Plan for Environmental Monitoring Program

Holland, Robert C.

This Quality Assurance Project Plan (QAPP) applies to the Environmental Monitoring Program at the Sandia National Laboratories/California. This QAPP follows DOE Quality Assurance Management System Guide for Use with 10 CFR 830 Subpart A, Quality Assurance Requirements, and DOE O 414.1C, Quality Assurance (DOE G 414.1-2A June 17, 2005). The Environmental Monitoring Program is located within the Environmental Operations Department. The Environmental Operations Department is responsible for ensuring that SNL/CA operations have minimal impact on the environment. The Department provides guidance to line organizations to help them comply with applicable environmental regulations and DOE orders. To fulfill its mission, the department has groups responsible for waste management; pollution prevention, air quality; environmental planning; hazardous materials management; and environmental monitoring. The Environmental Monitoring Program is responsible for ensuring that SNL/CA complies with all Federal, State, and local regulations and with DOE orders regarding the quality of wastewater and stormwater discharges. The Program monitors these discharges both visually and through effluent sampling. The Program ensures that activities at the SNL/CA site do not negatively impact the quality of surface waters in the vicinity, or those of the San Francisco Bay. The Program verifies that wastewater and stormwater discharges are in compliance with established standards and requirements. The Program is also responsible for compliance with groundwater monitoring, and underground and above ground storage tanks regulatory compliance. The Program prepares numerous reports, plans, permit applications, and other documents that demonstrate compliance.

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The electricity portfolio simulation model (EPSim) technical description

Drennen, Thomas E.

Stakeholders often have competing interests when selecting or planning new power plants. The purpose of developing this preliminary Electricity Portfolio Simulation Model (EPSim) is to provide a first cut, dynamic methodology and approach to this problem, that can subsequently be refined and validated, that may help energy planners, policy makers, and energy students better understand the tradeoffs associated with competing electricity portfolios. EPSim allows the user to explore competing electricity portfolios annually from 2002 to 2025 in terms of five different criteria: cost, environmental impacts, energy dependence, health and safety, and sustainability. Four additional criteria (infrastructure vulnerability, service limitations, policy needs and science and technology needs) may be added in future versions of the model. Using an analytic hierarchy process (AHP) approach, users or groups of users apply weights to each of the criteria. The default energy assumptions of the model mimic Department of Energy's (DOE) electricity portfolio to 2025 (EIA, 2005). At any time, the user can compare alternative portfolios to this reference case portfolio.

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Safety and Hazard Analysis for the Coherent/Acculite Laser Based Sandia Remote Sensing System (Trailer B70)

Augustoni, Arnold L.

A laser safety and hazard analysis is presented, for the Coherent(r) driven Acculite(r) laser central to the Sandia Remote Sensing System (SRSS). The analysis is based on the 2000 version of the American National Standards Institute's (ANSI) Standard Z136.1, for Safe Use of Lasers and the 2000 version of the ANSI Standard Z136.6, for Safe Use of Lasers Outdoors. The trailer (B70) based SRSS laser system is a mobile platform which is used to perform laser interaction experiments and tests at various national test sites. The trailer based SRSS laser system is generally operated on the United State Air Force Starfire Optical Range (SOR) at Kirtland Air Force Base (KAFB), New Mexico. The laser is used to perform laser interaction testing inside the laser trailer as well as outside the trailer at target sites located at various distances. In order to protect personnel who work inside the Nominal Hazard Zone (NHZ) from hazardous laser exposures, it was necessary to determine the Maximum Permissible Exposure (MPE) for each laser wavelength (wavelength bands) and calculate the appropriate minimum Optical Density (ODmin) necessary for the laser safety eyewear used by authorized personnel. Also, the Nominal Ocular Hazard Distance (NOHD) and The Extended Ocular Hazard Distance (EOHD) are calculated in order to protect unauthorized personnel who may have violated the boundaries of the control area and might enter into the laser's NHZ for testing outside the trailer. 4Page intentionally left blank

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SNL/CA Environmental Management System Program Manual

Larsen, Barbara L.

The Sandia National Laboratories, California (SNL/CA) Environmental Management System (EMS) Program Manual documents the elements of the site EMS Program. The SNL/CA EMS Program was developed in accordance with Department of Energy (DOE) Order 450.1 and incorporates the elements of the International Standard on Environmental Management Systems, ISO 14001.

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Geophysical subsurface imaging and interface identification

Day, David M.; Bochev, Pavel B.; Weiss, Chester J.; Robinson, Allen C.

Electromagnetic induction is a classic geophysical exploration method designed for subsurface characterization--in particular, sensing the presence of geologic heterogeneities and fluids such as groundwater and hydrocarbons. Several approaches to the computational problems associated with predicting and interpreting electromagnetic phenomena in and around the earth are addressed herein. Publications resulting from the project include [31]. To obtain accurate and physically meaningful numerical simulations of natural phenomena, computational algorithms should operate in discrete settings that reflect the structure of governing mathematical models. In section 2, the extension of algebraic multigrid methods for the time domain eddy current equations to the frequency domain problem is discussed. Software was developed and is available in Trilinos ML package. In section 3 we consider finite element approximations of De Rham's complex. We describe how to develop a family of finite element spaces that forms an exact sequence on hexahedral grids. The ensuing family of non-affine finite elements is called a van Welij complex, after the work [37] of van Welij who first proposed a general method for developing tangentially and normally continuous vector fields on hexahedral elements. The use of this complex is illustrated for the eddy current equations and a conservation law problem. Software was developed and is available in the Ptenos finite element package. The more popular methods of geophysical inversion seek solutions to an unconstrained optimization problem by imposing stabilizing constraints in the form of smoothing operators on some enormous set of model parameters (i.e. ''over-parametrize and regularize''). In contrast we investigate an alternative approach whereby sharp jumps in material properties are preserved in the solution by choosing as model parameters a modest set of variables which describe an interface between adjacent regions in physical space. While still over-parametrized, this choice of model space contains far fewer parameters than before, thus easing the computational burden, in some cases, of the optimization problem. And most importantly, the associated finite element discretization is aligned with the abrupt changes in material properties associated with lithologic boundaries as well as the interface between buried cultural artifacts and the surrounding Earth. In section 4, algorithms and tools are described that associate a smooth interface surface to a given triangulation. In particular, the tools support surface refinement and coarsening. Section 5 describes some preliminary results on the application of interface identification methods to some model problems in geophysical inversion. Due to time constraints, the results described here use the GNU Triangulated Surface Library for the manipulation of surface meshes and the TetGen software library for the generation of tetrahedral meshes.

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Method development and validation for measuring the particle size distribution of pentaerythritol tetranitrate (PETN) powders

Young, Sharissa G.

Currently, the critical particle properties of pentaerythritol tetranitrate (PETN) that influence deflagration-to-detonation time in exploding bridge wire detonators (EBW) are not known in sufficient detail to allow development of a predictive failure model. The specific surface area (SSA) of many PETN powders has been measured using both permeametry and gas absorption methods and has been found to have a critical effect on EBW detonator performance. The permeametry measure of SSA is a function of particle shape, packed bed pore geometry, and particle size distribution (PSD). Yet there is a general lack of agreement in PSD measurements between laboratories, raising concerns regarding collaboration and complicating efforts to understand changes in EBW performance related to powder properties. Benchmarking of data between laboratories that routinely perform detailed PSD characterization of powder samples and the determination of the most appropriate method to measure each PETN powder are necessary to discern correlations between performance and powder properties and to collaborate with partnering laboratories. To this end, a comparison was made of the PSD measured by three laboratories using their own standard procedures for light scattering instruments. Three PETN powder samples with different surface areas and particle morphologies were characterized. Differences in bulk PSD data generated by each laboratory were found to result from variations in sonication of the samples during preparation. The effect of this sonication was found to depend on particle morphology of the PETN samples, being deleterious to some PETN samples and advantageous for others in moderation. Discrepancies in the submicron-sized particle characterization data were related to an instrument-specific artifact particular to one laboratory. The type of carrier fluid used by each laboratory to suspend the PETN particles for the light scattering measurement had no consistent effect on the resulting PSD data. Finally, the SSA of the three powders was measured using both permeametry and gas absorption methods, enabling the PSD to be linked to the SSA for these PETN powders. Consistent characterization of other PETN powders can be performed using the appropriate sample-specific preparation method, so that future studies can accurately identify the effect of changes in the PSD on the SSA and ultimately model EBW performance.

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Structure, energetics, and dynamics of water adsorbed on the muscovite (001) surface: A molecular dynamics simulation

Journal of Physical Chemistry B

Wang, Jianwei; Kalinichev, Andrey G.; Kirkpatrick, R.J.; Cygan, Randall T.

Molecular dynamics (MD) computer simulations of liquid water adsorbed on the muscovite (001) surface provide a greatly increased, atomistically detailed understanding of surface-related effects on the spatial variation in the structural and orientational ordering, hydrogen bond (H-bond) organization, and local density of H 2O molecules at this important model phyllosilicate surface. MD simulations at constant temperature and volume (statistical NVT ensemble) were performed for a series of model systems consisting of a two-layer muscovite slab (representing 8 crystallographic surface unit cells of the substrate) and 0 to 319 adsorbed H 2O molecules, probing the atomistic structure and dynamics of surface aqueous films up to 3 nm in thickness. The results do not demonstrate a completely liquid-like behavior, as otherwise suggested from the interpretation of X-ray reflectivity measurements 1 and earlier Monte Carlo simulations. 2 Instead, a more structurally and orientationally restricted behavior of surface H 2O molecules is observed, and this structural ordering extends to larger distances from the surface than previously expected. Even at the largest surface water coverage studied, over 20% of H 2O molecules are associated with specific adsorption sites, and another 50% maintain strongly preferred orientations relative to the surface. This partially ordered structure is also different from the well-ordered 2-dimensional ice-like structure predicted by ab initio MD simulations for a system with a complete monolayer water coverage. 3 However, consistent with these ab initio results, our simulations do predict that a full molecular monolayer surface water coverage represents a relatively stable surface structure in terms of the lowest diffusional mobility of H 2O molecules along the surface. Calculated energies of water adsorption are in good agreement with available experimental data. 4 © 2005 American Chemical Society.

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Piezoelectric PVDF materials performance and operation limits in space environments

Materials Research Society Symposium Proceedings

Celina, Mathew C.; Dargaville, Tim R.; Chaplya, Pavel M.; Clough, Roger L.

Piezoelectric polymers based on polyvinylidene fluoride (PVDF) are of interest for large aperture space-based telescopes. Dimensional adjustments of adaptive polymer films are achieved via charge deposition and require a detailed understanding of the piezoelectric material responses which are expected to suffer due to strong vacuum UV, γ-, X-ray, energetic particles and atomic oxygen under low earth orbit exposure conditions. The degradation of PVDF and its copolymers under various stress environments has been investigated. Initial radiation aging studies using γ- and e-beam irradiation have shown complex material changes with significant crosslinking, lowered melting and Curie points (where observable), effects on crystallinity, but little influence on overall piezoelectric properties. Surprisingly, complex aging processes have also been observed in elevated temperature environments with annealing phenomena and cyclic stresses resulting in thermal depoling of domains. Overall materials performance appears to be governed by a combination of chemical and physical degradation processes. Molecular changes are primarily induced via radiative damage, and physical damage from temperature and AO exposure is evident as depoling and surface erosion. Major differences between individual copolymers have been observed providing feedback on material selection strategies. © 2045 Materials Research Society.

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Sintering damage during multi-material sintering

Ceramic Transactions

Garino, Terry J.

To generate data for comparison with the predictions of continuum sintering models for multi-material systems, several types of concentric cylinder samples were sintered to produce damage during sintering. The samples consisted of an outer ring of pressed ceramic powder (alumina or zinc oxide), the center of which was either fully or partially filled with a cylinder that consisted of either the same powder pressed to a higher green density (fully filled) or of previously densified 99% alumina (fully or partially filled). In addition, slots of various lengths were cut in some of the rings, from the outer surface parallel to the cylinder axis, which were then fully filled with dense alumina center cylinders and sintered. The types of sintering damage produced as the shrinkage of the rings was constrained by the center cylinders which shrank less or not at all, included shape deformation, cracking and possible density gradient formation. Comparisons of shrinkage measurements on rings fully filled with dense alumina center cylinders indicated that while the presence of the center cylinder increased the thickness and width shrinkage for both materials, the overall densification of the rings was impeded due to the decrease in circumferential shrinkage. This effect was more severe for the zinc oxide rings. The shape of the cross sections of the rings that were sintered either fully or partially filled with dense alumina center cylinders also showed differences depending on their composition.

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Integrated 3D model to simulate solidification and predict hot cracking during DC casting of aluminum alloys

TMS Light Metals

Long, Zhengdong; Han, Qingyou; Viswanathan, Srinath; Ningileri, Shridas; Das, Subodh; Kuwana, Kazunori; Hassan, Mohamed; Khraisheh, Marwan; Sabau, Adrian; Saito, Kozo

An integrated 3D Direct Chill (DC) casting model was used to simulate the heat transfer, fluid flow, solidification, and thermal stress during casting. Temperature measurements were performed in an industrial casting facility to setup and validate the model. The key features such as heat transfer between cooling water and the ingot surface as a function of surface temperature, cooling water flow rate, air gaps caused by mold and bottom block design were also considered in the model. An elasto-viscoplastic constitutive model, which was determined based on mechanical testing, was used to calculate the evolution of stress during casting. The stress evolution was compared at various locations and correlated with physical phenomena associated with the casting process. An Ingot Cracking Index, which represents the ingot hot cracking propensity, was established based on the ratio of stress to strength. The Index calculation results were consistent with observations in industrial casting practice.

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Calculation of heat transfer coefficients at the ingot surface during DC casting

TMS Light Metals

Kuwana, Kazunori; Viswanathan, Srinath; Clark, John A.; Sabau, Adrian; Hassan, Mohamed I.; Saito, Kozo; Das, Subodh

Surface heat transfer coefficients representing the various regimes of water cooling during the Direct Chill (DC) casting of aluminum 3004 alloy ingots have been calculated using the inverse heat transfer technique. ProCAST, a commercial casting simulation package, which includes heat transfer, fluid flow, solidification, and inverse heat transfer, was used for this effort. Thermocouple data from an experimental casting run, and temperature-dependent thermophysical properties of the alloy were used in the calculation. The use of a structured vs. unstructured mesh was evaluated. The calculated effective heat transfer coefficient, which is a function of temperature and time, covers three water cooling regimes, i.e., convection, nucleate boiling, and film boiling, and the change of water flow rate with time.

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Diverse spreading behavior of binary polymer nanodroplets

Langmuir

Heine, David R.; Grest, Gary S.; Webb, Edmund B.

Molecular dynamics simulations are used to study the spreading of binary polymer nanodroplets in a cylindrical geometry. The polymers, described by the bead-spring model, spread on a flat surface with a surface-coupled Langevin thermostat to mimic the effects of a corrugated surface. Each droplet consists of chains of length 10 or 100 monomers with ∼350 000 monomers total. The qualitative features of the spreading dynamics are presented for differences in chain length, surface interaction strength, and composition. When the components of the droplet differ only in the surface interaction strength, the more strongly wetting component forms a monolayer film on the surface even when both materials are above or below the wetting transition. In the case where the only difference is the polymer chain length, the monolayer film beneath the droplet is composed of an equal amount of short chain and long chain monomers even when one component (the shorter chain length) is above the wetting transition and the other is not. The fraction of short and long chains in the precursor foot depends on whether both the short and the long chains are in the wetting regime. Diluting the concentration of the strongly wetting component in a mixture with a weakly wetting component decreases the rate of diffusion of the wetting material from the bulk to the surface and limits the spreading rate of the precursor foot, but the bulk spreading rate actually increases when both components are present. This may be due to the strongly wetting material pushing out the weakly wetting material as it moves toward the precursor foot. © 2005 American Chemical Society.

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Synthesis and characterization of InP and InN colloidal quantum dots

Progress in Biomedical Optics and Imaging - Proceedings of SPIE

Greenberg, Melisa R.; Chen, Weiliang; Pulford, Ben N.; Smolyakov, Gennady A.; Jiang, Ying B.; Bunge, Scott D.; Boyle, Timothy J.; Osiński, Marek

InP quantum dots (QDs) with zinc blende structure and InN QDs with hexagonal structure were synthesized from appropriate organometallic precursors in a noncoordinating solvent using myristic acid as a ligand. The QDs were characterized by TEM, the associated energy dispersive spectroscopy (EDS), electron diffraction, and steady state UV-VIS optical absorption and photoluminescence spectroscopy. To our best knowledge, this paper reports synthesis of InN colloidal quantum dots for the first time.

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Quantization of the diagonal resistance: Density gradients and the empirical Resistance rule in a 2D system

Physical Review Letters

Pan, Wei; Xia, J.S.; Stormer, H.L.; Tsui, D.C.; Vicente, C.L.; Adams, E.D.; Sullivan, N.S.; Pfeiffer, L.N.; Baldwin, K.W.; West, K.W.

We have observed quantization of the diagonal resistance, Rxx, at the edges of several quantum Hall states. Each quantized Rxx value is close to the difference between the two adjacent Hall plateaus in the off-diagonal resistance, Rxy. Peaks in Rxx occur at different positions in positive and negative magnetic fields. Practically all Rxx features can be explained quantitatively by a 1%/cm electron density gradient. Therefore, Rxx is determined by Rxy and unrelated to the diagonal resistivity ρxx. Our findings throw an unexpected light on the empirical resistivity rule for 2D systems. © 2005 The American Physical Society.

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Modeling epoxy foams exposed to fire-like heat fluxes

Polymer Degradation and Stability

Hobbs, Michael L.

A decomposition chemistry and heat transfer model to predict the response of removable epoxy foam (REF) exposed to fire-like heat fluxes is described. The epoxy foam was created using a perfluorohexane blowing agent with a surfactant. The model includes desorption of the blowing agent and surfactant, thermal degradation of the epoxy polymer, polymer fragment transport, and vapor-liquid equilibrium. An effective thermal conductivity model describes changes in thermal conductivity with reaction extent. Pressurization is modeled assuming: (1) no strain in the condensed-phase, (2) no resistance to gas-phase transport, (3) spatially uniform stress fields, and (4) no mass loss from the system due to venting. The model has been used to predict mass loss, pressure rise, and decomposition front locations for various small-scale and large-scale experiments performed by others. The framework of the model is suitable for polymeric foams with absorbed gases. Published by Elsevier Ltd.

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Peridynamic modeling of plain and reinforced concrete structures

Silling, Stewart

The peridynamic model was introduced by Silling in 1998. In this paper, we demonstrate the application of the quasistatic peridynamic model to two-dimensional, linear elastic, plane stress and plane strain problems, with special attention to the modeling of plain and reinforced concrete structures. We consider just one deviation from linearity--that which arises due to the irreversible sudden breaking of bonds between particles. The peridynamic model starts with the assumption that Newton's second law holds true on every infinitesimally small free body (or particle) within the domain of analysis. A specified force density function, called the pairwise force function, (with units of force per unit volume per unit volume) between each pair of infinitesimally small particles is postulated to act if the particles are closer together than some finite distance, called the material horizon. The pairwise force function may be assumed to be a function of the relative position and the relative displacement between the two particles. In this paper, we assume that for two particles closer together than the specified 'material horizon' the pairwise force function increases linearly with respect to the stretch, but at some specified stretch, the pairwise force function is irreversibly reduced to zero.

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Results of external review Sandia microelectronics and microsystems program (September 2004)

Myers, David R.

The US Department of Energy requires a periodic assessment of the Microsystems Program at Sandia National Laboratories. An external review of this program is held approximately every 18 months to 24 months. The report from the External Review Panel serves as the basis for Sandia's ''self assessment'' and is a specific deliverable of the governance contract between Lockheed Martin and the Department of Energy. The External Review of Microelectronics and Microsystems for Fiscal Year 2004 was held September 27-29, 2004 at Sandia National Laboratories, Albuquerque, NM. The external review panel consisted of experts in the fields of microelectronics, photonics and microsystems from universities, industry and other Government agencies. A complete list of the panel members is included as Appendix A of the attached report. The review assessed four areas: relevance to national needs and agency mission; quality of science, technology and engineering; performance in the operation of a major facility; and program performance management and planning. Relevance to national needs and agency mission was rated as ''outstanding''. The quality of science, technology, and engineering was rated as ''outstanding''. Operation of a major facility was rated as ''outstanding'', and the category of program performance, management, and planning was rated as ''outstanding''. Sandia's Microsystems Program thus received an overall rating of ''outstanding'' [the highest possible rating].

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High voltage series connected Si photovoltaic cells

Patel, Rupal K.; Stein, David J.; Hsia, Alexander W.; Bennett, Reid S.

This report describes the features of monolithic, series connected silicon (Si) photovoltaic (PV) cells which have been developed for applications requiring higher voltages than obtained with conventional single junction solar cells. These devices are intended to play a significant role in micro / mini firing systems and fuzing systems for DOE and DOD applications. They are also appropriate for other applications (such as micro-electro-mechanical-systems (MEMS) actuation as demonstrated by Bellew et. al.) where electric power is required in remote regions and electrical connection to the region is unavailable or deemed detrimental for whatever reason. Our monolithic device consists of a large number of small PV cells, combined in series and fabricated using standard CMOS processing on silicon-on-insulator (SOI) wafers with 0.4 to 3 micron thick buried oxide (BOX) and top Si thickness of 5 and 10 microns. Individual cell isolation is achieved using the BOX layer of the SOI wafer on the bottom. Isolation along the sides is produced by trenching the top Si and subsequently filling the trench by deposition of dielectric films such as oxide, silicon nitride, or oxynitride. Multiple electrically isolated PV cells are connected in series to produce voltages ranging from approximately 0.5 volts for a single cell to several thousands of volts for strings of thousands of cells.

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Measures of agreement between computation and experiment:validation metrics

Oberkampf, William L.; Barone, Matthew F.

With the increasing role of computational modeling in engineering design, performance estimation, and safety assessment, improved methods are needed for comparing computational results and experimental measurements. Traditional methods of graphically comparing computational and experimental results, though valuable, are essentially qualitative. Computable measures are needed that can quantitatively compare computational and experimental results over a range of input, or control, variables and sharpen assessment of computational accuracy. This type of measure has been recently referred to as a validation metric. We discuss various features that we believe should be incorporated in a validation metric and also features that should be excluded. We develop a new validation metric that is based on the statistical concept of confidence intervals. Using this fundamental concept, we construct two specific metrics: one that requires interpolation of experimental data and one that requires regression (curve fitting) of experimental data. We apply the metrics to three example problems: thermal decomposition of a polyurethane foam, a turbulent buoyant plume of helium, and compressibility effects on the growth rate of a turbulent free-shear layer. We discuss how the present metrics are easily interpretable for assessing computational model accuracy, as well as the impact of experimental measurement uncertainty on the accuracy assessment.

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Analysis of crude oil vapor pressures at the U.S. Strategic Petroleum Reserve

Lord, David

Crude oil storage caverns at the U.S. Strategic Petroleum Reserve (SPR) are solution-mined from subsurface salt domes along the U.S. Gulf Coast. While these salt domes exhibit many attractive characteristics for large-volume, long-term storage of oil such as low cost for construction, low permeability for effective fluids containment, and secure location deep underground, they also present unique technical challenges for maintaining oil quality within delivery standards. The vapor pressures of the crude oils stored at SPR tend to increase with storage time due to the combined effects of geothermal heating and gas intrusion from the surrounding salt. This presents a problem for oil delivery offsite because high vapor-pressure oil may lead to excessive atmospheric emissions of hydrocarbon gases that present explosion hazards, health hazards, and handling problems at atmospheric pressure. Recognizing this potential hazard, the U.S. Department of Energy, owner and operator of the SPR, implemented a crude oil vapor pressure monitoring program that collects vapor pressure data for all the storage caverns. From these data, DOE evaluates the rate of change in vapor pressures of its oils in the SPR. Moreover, DOE implemented a vapor pressure mitigation program in which the oils are degassed periodically and will be cooled immediately prior to delivery in order to reduce the vapor pressure to safe handling levels. The work described in this report evaluates the entire database since its origin in 1993, and determines the current levels of vapor pressure around the SPR, as well as the rate of change for purposes of optimizing both the mitigation program and meeting safe delivery standards. Generally, the rate of vapor pressure increase appears to be lower in this analysis than reported in the past and, problematic gas intrusion seems to be limited to just a few caverns. This being said, much of the current SPR inventory exceeds vapor pressure delivery guidelines and must be degassed and cooled in order to meet current delivery standards.

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Final report on testing of ACONF technology for the US Coast Guard National Distress Systems : a study for the DOE Energy Storage Systems Program

Corey, Garth P.; Ginn, Jerry W.; Felix, Leanne; Murray, Aaron T.

This report documents the results of a six month test program of an Alternative Configuration (ACONF) power management system design for a typical United States Coast Guard (USCG) National Distress System (NDS) site. The USCG/USDOE funded work was performed at Sandia National Laboratories to evaluate the effect of a Sandia developed battery management technology known as ACONF on the performance of energy storage systems at NDS sites. This report demonstrates the savings of propane gas, and the improvement of battery performance when utilizing the new ACONF designs. The fuel savings and battery performance improvements resulting from ACONF use would be applicable to all current NDS sites in the field. The inherent savings realized when using the ACONF battery management design was found to be significant when compared to battery replacement and propane refueling at the remote NDS sites.

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DART system analysis

Hardwick, Michael F.; Clay, Robert L.; Boggs, Paul T.; Walsh, Edward J.

The Design-through-Analysis Realization Team (DART) is chartered with reducing the time Sandia analysts require to complete the engineering analysis process. The DART system analysis team studied the engineering analysis processes employed by analysts in Centers 9100 and 8700 at Sandia to identify opportunities for reducing overall design-through-analysis process time. The team created and implemented a rigorous analysis methodology based on a generic process flow model parameterized by information obtained from analysts. They also collected data from analysis department managers to quantify the problem type and complexity distribution throughout Sandia's analyst community. They then used this information to develop a community model, which enables a simple characterization of processes that span the analyst community. The results indicate that equal opportunity for reducing analysis process time is available both by reducing the ''once-through'' time required to complete a process step and by reducing the probability of backward iteration. In addition, reducing the rework fraction (i.e., improving the engineering efficiency of subsequent iterations) offers approximately 40% to 80% of the benefit of reducing the ''once-through'' time or iteration probability, depending upon the process step being considered. Further, the results indicate that geometry manipulation and meshing is the largest portion of an analyst's effort, especially for structural problems, and offers significant opportunity for overall time reduction. Iteration loops initiated late in the process are more costly than others because they increase ''inner loop'' iterations. Identifying and correcting problems as early as possible in the process offers significant opportunity for time savings.

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Dipole radiation from a cylindrical hole in the earth

Warne, Larry K.; Johnson, William A.

This report examines the problem of an antenna radiating from a cylindrical hole in the earth and the subsequent far-zone field produced in the upper air half space. The approach used for this analysis was to first examine propagation characteristics along the hole for surrounding geologic material properties. Three cases of sand with various levels of moisture content were considered as the surrounding material to the hole. For the hole diameters and sand cases examined, the radiation through the earth medium was found to be the dominant contribution to the radiation transmitted through to the upper half-space. In the analysis presented, the radiation from a vertical and a horizontal dipole source within the hole is used to determine a closed-form expression for the radiation in the earth medium which represents a modified element factor for the source and hole combination. As the final step, the well-known results for a dipole below a half space, in conjunction with the use of Snell's law to transform the modified element factor to the upper half space, determine closed-form expressions for the far-zone radiated fields in the air region above the earth.

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Total x-ray power measurements in the Sandia LIGA program

Malinowski, Michael E.; Ting, Aili

Total X-ray power measurements using aluminum block calorimetry and other techniques were made at LIGA X-ray scanner synchrotron beamlines located at both the Advanced Light Source (ALS) and the Advanced Photon Source (APS). This block calorimetry work was initially performed on the LIGA beamline 3.3.1 of the ALS to provide experimental checks of predictions of the LEX-D (LIGA Exposure- Development) code for LIGA X-ray exposures, version 7.56, the version of the code in use at the time calorimetry was done. These experiments showed that it was necessary to use bend magnet field strengths and electron storage ring energies different from the default values originally in the code in order to obtain good agreement between experiment and theory. The results indicated that agreement between LEX-D predictions and experiment could be as good as 5% only if (1) more accurate values of the ring energies, (2) local values of the magnet field at the beamline source point, and (3) the NIST database for X-ray/materials interactions were used as code inputs. These local magnetic field value and accurate ring energies, together with NIST database, are now defaults in the newest release of LEX-D, version 7.61. Three dimensional simulations of the temperature distributions in the aluminum calorimeter block for a typical ALS power measurement were made with the ABAQUS code and found to be in good agreement with the experimental temperature data. As an application of the block calorimetry technique, the X-ray power exiting the mirror in place at a LIGA scanner located at the APS beamline 10 BM was measured with a calorimeter similar to the one used at the ALS. The overall results at the APS demonstrated the utility of calorimetry in helping to characterize the total X-ray power in LIGA beamlines. In addition to the block calorimetry work at the ALS and APS, a preliminary comparison of the use of heat flux sensors, photodiodes and modified beam calorimeters as total X-ray power monitors was made at the ALS, beamline 3.3.1. This work showed that a modification of a commercially available, heat flux sensor could result in a simple, direct reading beam power meter that could be a useful for monitoring total X-ray power in Sandia's LIGA exposure stations at the ALS, APS and Stanford Synchrotron Radiation Laboratory (SSRL).

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Studies on the disbonding initiation of interfacial cracks

Mcadams, Brian J.; Pearson, Raymond A.

With the continuing trend of decreasing feature sizes in flip-chip assemblies, the reliability tolerance to interfacial flaws is also decreasing. Small-scale disbonds will become more of a concern, pointing to the need for a better understanding of the initiation stage of interfacial delamination. With most accepted adhesion metric methodologies tailored to predict failure under the prior existence of a disbond, the study of the initiation phenomenon is open to development and standardization of new testing procedures. Traditional fracture mechanics approaches are not suitable, as the mathematics assume failure to originate at a disbond or crack tip. Disbond initiation is believed to first occur at free edges and corners, which act as high stress concentration sites and exhibit singular stresses similar to a crack tip, though less severe in intensity. As such, a 'fracture mechanics-like' approach may be employed which defines a material parameter--a critical stress intensity factor (K{sub c})--that can be used to predict when initiation of a disbond at an interface will occur. The factors affecting the adhesion of underfill/polyimide interfaces relevant to flip-chip assemblies were investigated in this study. The study consisted of two distinct parts: a comparison of the initiation and propagation phenomena and a comparison of the relationship between sub-critical and critical initiation of interfacial failure. The initiation of underfill interfacial failure was studied by characterizing failure at a free-edge with a critical stress intensity factor. In comparison with the interfacial fracture toughness testing, it was shown that a good correlation exists between the initiation and propagation of interfacial failures. Such a correlation justifies the continuing use of fracture mechanics to predict the reliability of flip-chip packages. The second aspect of the research involved fatigue testing of tensile butt joint specimens to determine lifetimes at sub-critical load levels. The results display an interfacial strength ranking similar to that observed during monotonic testing. The fatigue results indicate that monotonic fracture mechanics testing may be an adequate screening tool to help predict cyclic underfill failure; however lifetime data is required to predict reliability.

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Programming future architectures : dusty decks, memory walls, and the speed of light

Rodrigues, Arun

Due to advances in CMOS fabrication technology, high performance computing capabilities have continually grown. More capable hardware has allowed a range of complex scientific applications to be developed. However, these applications present a bottleneck to future performance. Entrenched 'legacy' codes - 'Dusty Decks' - demand that new hardware must remain compatible with existing software. Additionally, conventional architectures faces increasing challenges. Many of these challenges revolve around the growing disparity between processor and memory speed - the 'Memory Wall' - and difficulties scaling to large numbers of parallel processors. To a large extent, these limitations are inherent to the traditional computer architecture. As data is consumed more quickly, moving that data to the point of computation becomes more difficult. Barring any upward revision in the speed of light, this will continue to be a fundamental limitation on the speed of computation. This work focuses on these solving these problems in the context of Light Weight Processing (LWP). LWP is an innovative technique which combines Processing-In-Memory, short vector computation, multithreading, and extended memory semantics. It applies these techniques to try and answer the questions 'What will a next-generation supercomputer look like?' and 'How will we program it?' To that end, this work presents four contributions: (1) An implementation of MPI which uses features of LWP to substantially improve message processing throughput; (2) A technique leveraging extended memory semantics to improve message passing by overlapping computation and communication; (3) An OpenMP library modified to allow efficient partitioning of threads between a conventional CPU and LWPs - greatly improving cost/performance; and (4) An algorithm to extract very small 'threadlets' which can overcome the inherent disadvantages of a simple processor pipeline.

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Toward modeling and simulation of critical national infrastructure interdependencies

Proposed for publication in IIE Transactions.

Beyeler, Walter E.; Brown, Theresa J.

Modern society's physical health depends vitally upon a number of real, interdependent, critical infrastructure networks that deliver power, petroleum, natural gas,water, and communications. Its economic health depends on a number of other infrastructure networks, some virtual and some real, that link residences, industries, commercial sectors, and transportation sectors. The continued prosperity and national security of the US depends on our ability to understand the vulnerabilities of and analyze the performance of both the individual infrastructures and the entire interconnected system of infrastructures. Only then can we respond to potential disruptions in a timely and effective manner. Collaborative efforts among Sandia, other government agencies, private industry, and academia have resulted in realistic models for many of the individual component infrastructures. In this paper, we propose an innovative modeling and analysis framework to study the entire system of physical and economic infrastructures. That framework uses the existing individual models together with system dynamics, functional models, and nonlinear optimization algorithms. We describe this framework and demonstrate its potential use to analyze, and propose a response for, a hypothetical disruption.

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The Sandia Lightning Simulator Recommissioning and upgrades

Caldwell, Michele C.; Martinez, Leonard E.

The Sandia lightning simulator at Sandia National Laboratories can provide up to 200 kA for a simulated single lightning stroke, 100 kA for a subsequent stroke, and hundreds of Amperes of continuing current. It has recently been recommissioned after a decade of inactivity and the single-stroke capability demonstrated. The simulator capabilities, basic design components, upgrades, and diagnostic capabilities are discussed in this paper.

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Toward a new paradigm for reactive flow modeling

Schmitt, Robert G.

Traditional reactive flow modeling provides a computational representation of shock initiation of energetic materials. Most reactive flow models require ad hoc assumptions to obtain robust simulations, assumptions that result from partitioning energy and volume change between constituents in a reactive mixture. For example, most models assume pressure and/or temperature equilibrium for the mixture. Many mechanical insults to energetic materials violate these approximations. Careful analysis is required to ensure that the model assumptions and limitations are not exceeded. One limitation is that the shock to detonation transition is replicated only for strong planar shocks. Many models require different parameters to match data from thin pulse, ramp wave, or multidimensional loading, an approach that fails for complex loading. To accurately simulate reaction under non-planar shock impact scenarios a new formalism is required. The continuum mixture theory developed by Baer and Nunziato is used to eliminate ad hoc assumptions and limitations of current reactive flow models. This modeling paradigm represents the multiphase nature of reacting condensed/gas mixtures. Comparisons between simulations and data are presented.

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High-pressure strength measurements under isentropic loading

Vogler, Tracy J.

Recent advances in magnetic loading techniques have permitted quasi-isentropes to be measured to unprecedented levels. However, the relevant equations for planar waves provide no information about transverse stresses, leaving the deviatoric (strength) behavior of an isentropically loaded material unknown. Because materials are much cooler under isentropic loading than under shock loading, they can remain solid and thus retain strength to very high pressures. Thus, to improve our ability to model material behavior under isentropic loading, techniques to measure strength are needed. In this paper, existing techniques for determining high-pressure strength will be discussed along with their limitations. A technique for assessing the strength of isentropically loaded materials will be presented and used to determine the strength of an aluminum alloy using data from the Z machine and gas gun experiments. These results will be compared to existing models for material strength. Finally, limitations of the technique and future work needed will be discussed.

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A reduced order model for the study of asymmetries in linear gas chromatography for homogeneous tubular columns

Romero, Louis; Whiting, Joshua J.; Parks, Michael L.

In gas chromatography, a chemical sample separates into its constituent components as it travels along a long thin column. As the component chemicals exit the column they are detected and identified, allowing the chemical makeup of the sample to be determined. For correct identification of the component chemicals, the distribution of the concentration of each chemical along the length of the column must be nearly symmetric. The prediction and control of asymmetries in gas chromatography has been an active research area since the advent of the technique. In this paper, we develop from first principles a general model for isothermal linear chromatography. We use this model to develop closed-form expressions for terms related to the first, second, and third moments of the distribution of the concentration, which determines the velocity, diffusion rate, and asymmetry of the distribution. We show that for all practical experimental situations, only fronting peaks are predicted by this model, suggesting that a nonlinear chromatography model is required to predict tailing peaks. For situations where asymmetries arise, we analyze the rate at which the concentration distribution returns to a normal distribution. Numerical examples are also provided.

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Using mesoscale modeling to investigate the role of material heterogeneity in geologic and planetary materials

Crawford, David A.

The propagation of shock waves through target materials is strongly influenced by the presence of small-scale structure, fractures, physical and chemical heterogeneities. Reverberations behind the shock from the presence of physical heterogeneity have been proposed as a mechanism for transient weakening of target materials as are localized shock effects seen in some meteorites. Pre-existing fractures can also affect melt generation. Recent mesoscale studies in computational hydrodynamics have attempted to bridge the gap in numerical modeling between the microscale and the continuum,. Methods are being devised using shock physics hydrocodes such as CTH and Monte-Carlo-type methods to investigate the shock properties of heterogeneous materials and to compare the results with experiments. Recent numerical experiments at the mesoscale using these statistical methods suggest that heterogeneity at the micro-scale plays a substantial and statistically quantifiable role in the effective shear and fracture strength of rocks. This paper will describe the methodology we are using to determine the strength of heterogeneous geologic and planetary materials.

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The master regulator for biofilm formation in Bacillus subtilis governs the expression of an operon encoding secreted proteins required for the assembly of complex multicellular communities

Proposed for publication in Molecular Microbiology.

Branda, Steven

Wild strains of Bacillus subtilis are capable of forming architecturally complex communities of cells known as biofilms. Critical to biofilm formation is the eps operon, which is believed to be responsible for the biosynthesis of an exopolysaccharide that binds chains of cells together in bundles. We report that transcription of eps is under the negative regulation of SinR, a repressor that was found to bind to multiple sites in the regulatory region of the operon. Mutations in sinR bypassed the requirement in biofilm formation of two genes of unknown function, ylbF and ymcA, and sinI, which is known to encode an antagonist of SinR. We propose that these genes are members of a pathway that is responsible for counteracting SinR-mediated repression. We further propose that SinR is a master regulator that governs the transition between a planktonic state in which the bacteria swim as single cells in liquid or swarm in small groups over surfaces, and a sessile state in which the bacteria adhere to each other to form bundled chains and assemble into multicellular communities.

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Dielectric and magnetic properties of FE- and Nb-doped CaCu3Ti4O12

Proposed for publication in Physical Review B.

Grubbs, Robert K.; Venturini, Eugene L.; Clem, Paul; Richardson, Jacob J.; Tuttle, Bruce; Samara, George A.

Detailed studies of the properties of ceramic CaCu{sub 3}Ti{sub 4}O{sub 12} (CCTO) have clarified the physics of this interesting material and revealed several features not reported before. The dielectric relaxational properties of CCTO are explained in terms of a capacitive-layer model, as for an inhomogeneous semiconductor, consisting of semiconducting grains and insulating grain boundaries as also concluded by others. The kinetics of the main [low-temperature (T)] relaxation reveal that two different thermally activated processes in CCTO grains control the dynamics. A likely candidate defect responsible for the two processes is the oxygen vacancy which is a double donor. A higher-T relaxation is determined by grain boundary conduction. Both Nb and Fe doping lowered both the apparent dielectric constant {var_epsilon}{prime} and the dielectric loss, but increased Fe doping led to more dramatic effects. At 3 at.% Fe doping, the anomalous {var_epsilon}{prime}(T) response was removed, making the CCTO an intrinsic, very-low-loss dielectric. The intrinsic {var_epsilon}{prime}({approx}75) and its T dependence are measured and shown to be largely determined by a low-lying soft TO phonon. At low T, cubic CCTO transforms into an antiferromagnetic phase at T{sub N} = 25 K. T{sub N} is essentially independent of Nb doping (up to 4 at.%) and of hydrostatic pressure (up to {approx}7 kbar), but decreases significantly with Fe doping. Analysis of the high-T dependence of the magnetic susceptibility provided insight into the role of Fe as a dopant. Finally, an {var_epsilon}{prime}(T) anomaly associated with the onset of antiferromagnetic order has been discovered, providing evidence for coupling between the polarization and sublattice magnetization. The possible origin of this coupling is discussed.

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The ferroelectric and relaxor properties of Pb(Sc0.5Nb0.5)O3 : influence of pressure and biasing electric field

Proposed for publication in Physical Review B.

Venturini, Eugene L.; Grubbs, Robert K.; Samara, George A.

The influences of hydrostatic pressure and biasing electric field on the dielectric properties and phase behavior of a single crystal of the perovskite compound Pb(Sc{sub 0.5}Nb{sub 0.5})O{sub 3}, (PSN) have been investigated. On cooling from high temperatures, the crystal first enters a relaxor (R) state and then spontaneously transforms to a ferroelectric (FE) phase at a temperature, T{sub c}, substantially below the peak temperature, T{sub m}, in the dielectric susceptibility. Based on earlier work on ceramic samples, this behavior suggests substantial chemical (Sc and Nb) disorder at the B sites. Pressure enhances the R state with strong indications that the FE phase should vanish at a pressure somewhat higher than the highest pressure reached in the experiments, making the R state the ground state of the crystal at reduced volume. A significant feature of the temperature (T)-pressure (P) phase diagram is the finding that the T{sub c}(P) phase line should terminate at a pressure between 10 and 15 kbar in a manner akin to a critical point; however, in the case of PSN this feature represents a FE-to-R crossover. Such behavior suggests that a path can be defined that takes the crystal from the FE phase to the R state without crossing a phase boundary. A biasing electric field favors the FE phase over the R state, and the results indicate that the R state vanishes at 5 kV/cm. The magnitudes of both the high T Curie-Weiss constant, C, and the change in entropy (or latent heat) at T{sub c} are found to be comparable to those of simple displacive perovskite oxides such as BaTiO{sub 3} and PbTiO{sub 3}.

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Response to unloading and reloading of shock compressed polymethyl methacrylate

Reinhart, William D.; Chhabildas, L.C.

Shock properties of polymeric materials have been investigated at low stresses for use as windows for velocity interferometry, binder phases for polymer-bonded explosives, and as adhesives. The shock Hugoniot for many other polymeric materials may also exist. There are distinct advantages in using a low-impedance polymer for impactors on shock experiments, however the loading structure from reshock or release has not been determined at these high stresses. In this study polymethyl-methacrylate (PMMA) is shocked to approximately 45 GPa and recompressed up to 130 GPa as well as unloaded from the shocked state. Reloading and unloading wave speeds have been determined from this initial stress level of approximately 45 GPa. The results from these tests not only characterize PMMA at these stress states, but will be valuable when PMMA is used as a standard material to study strength and phase transformation behavior in other materials.

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Microfabricated thermal conductivity detector for the micro-ChemLab

Proposed for publication in Sensors and Actuators B.

Showalter, Steven K.; Gelbard, Fred M.; Manginell, Ronald; Blain, Matthew G.

This work describes the design, computational prototyping, fabrication, and characterization of a microfabricated thermal conductivity detector ({mu}TCD) to analyze the effluent from a micro-gas chromatograph column ({mu}GC) and to complement the detection efficacy of a surface acoustic wave detector in the micro-ChemLab{trademark} system. To maximize the detection sensitivity, we designed a four-filament Wheatstone bridge circuit where the resistors are suspended by a thin silicon nitride membrane in pyramidal or trapezoidal shaped flow cells. The geometry optimization was carried out by simulation of the heat transfer in the devices, utilizing a boundary element algorithm. Within microfabrication constraints, we determined and fabricated nine sensitivity-optimized geometries of the {mu}TCD. The nine optimal geometries were tested with two different flow patterns. We demonstrated that the perpendicular flow, where the gas directly impinged upon the membrane, yielded a sensitivity that is three times greater than the parallel flow, where the gas passed over the membrane. The functionality of the {mu}TCD was validated with the theoretical prediction and showed a consistent linear response to effluent concentrations, with a detection sensitivity of 1 ppm, utilizing less than 1 W of power.

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IP address management : augmenting Sandia's capabilities through open source tools

Nayar, R.D.

Internet Protocol (IP) address management is an increasingly growing concern at Sandia National Laboratories (SNL) and the networking community as a whole. The current state of the available IP addresses indicates that they are nearly exhausted. Currently SNL doesn't have the justification to obtain more IP address space from Internet Assigned Numbers Authority (IANA). There must exist a local entity to manage and allocate IP assignments efficiently. Ongoing efforts at Sandia have been in the form of a multifunctional database application notably known as Network Information System (NWIS). NWIS is a database responsible for a multitude of network administrative services including IP address management. This study will explore the feasibility of augmenting NWIS's IP management capabilities utilizing open source tools. Modifications of existing capabilities to better allocate available IP address space are studied.

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On least-squares variational principles for the discretization of optimization and control problems

Proposed for publication in Methods and Applications of Analysis.

Bochev, Pavel B.

The approximate solution of optimization and control problems for systems governed by linear, elliptic partial differential equations is considered. Such problems are most often solved using methods based on the application of the Lagrange multiplier rule followed by discretization through, e.g., a Galerkin finite element method. As an alternative, we show how least-squares finite element methods can be used for this purpose. Penalty-based formulations, another approach widely used in other settings, have not enjoyed the same level of popularity in the partial differential equation case perhaps because naively defined penalty-based methods can have practical deficiencies. We use methodologies associated with modern least-squares finite element methods to develop and analyze practical penalty methods for the approximate solution of optimization problems for systems governed by linear, elliptic partial differential equations. We develop an abstract theory for such problems; along the way, we introduce several methods based on least-squares notions, and compare and constrast their properties.

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The role of opacity and transparency in achieving strategic stability in South Asia

Rajain, Arpit; Ashraf, Tariq M.

According to international relations theory, deterrence can be used as a tool to achieve stability between potentially hostile nations. India and Pakistan's long history of periodic crises raises the question of how they can achieve deterrence stability. 'Transparency' describes the flow of information between parties and plays a key role in establishing a deterrence relationship. This paper studies the balance needed between opacity and transparency in nuclear topics for the maintenance of deterrence stability between India and Pakistan. States with nuclear weapons are postulated to implement transparency in four categories: potential, capability, intent, and resolve. The study applies these categories to the nuclear components of the ongoing India-Pakistan Composite Dialogue Working Group for Peace and Security including CBMs. To focus our efforts, we defined four scenarios to characterize representative strategic/military/political conditions. The scenarios are combinations of these two sets of opposite poles: competition - cooperation; extremism - moderation (to be understood primarily in a religious/nationalistic sense). We describe each scenario in terms of select focal areas (nuclear doctrine, nuclear command and control, nuclear stockpile, nuclear delivery/defensive systems, and conventional force posture). The scenarios help frame the realm of possibilities, and have been described in terms of expected conditions for the focal areas. We then use the conditions in each scenario to prescribe a range of information-sharing actions that the two countries could take to increase stability. We also highlight the information that should not be shared. These actions can be political (e.g., declarations), procedural (e.g., advance notice of certain military activities), or technologically based (e.g., seismic monitoring of the nuclear test moratorium).

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Risk assessment for physical and cyber attacks on critical infrastructures

Depoy, Jennifer M.; Phelan, James M.; Sholander, Peter E.; Smith, Bryan J.; Varnado, G.B.; Wyss, Gregory D.

Assessing the risk of malevolent attacks against large-scale critical infrastructures requires modifications to existing methodologies. Existing risk assessment methodologies consider physical security and cyber security separately. As such, they do not accurately model attacks that involve defeating both physical protection and cyber protection elements (e.g., hackers turning off alarm systems prior to forced entry). This paper presents a risk assessment methodology that accounts for both physical and cyber security. It also preserves the traditional security paradigm of detect, delay and respond, while accounting for the possibility that a facility may be able to recover from or mitigate the results of a successful attack before serious consequences occur. The methodology provides a means for ranking those assets most at risk from malevolent attacks. Because the methodology is automated the analyst can also play 'what if with mitigation measures to gain a better understanding of how to best expend resources towards securing the facilities. It is simple enough to be applied to large infrastructure facilities without developing highly complicated models. Finally, it is applicable to facilities with extensive security as well as those that are less well-protected.

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Geomechanics considerations for through-and near-salt well design

Fredrich, Joanne T.

Over the next decade a significant amount of exploration and new field developments will take place in salt provinces around the world - in the deepwater Gulf of Mexico, and offshore Angola, Brazil, and North and West Africa. Salt formations provide both opportunities and challenges to the design and construction of the often complex wells to be drilled in these locations. An overview of the many geomechanical considerations necessary to ensure successful well construction when drilling in through-, sub- and near-salt environments is presented. The structural styles of deformed sediments adjacent to salt, combined with stress perturbations caused by the presence of salt, are used to assess the risk of encountering zones that might cause wellbore instability or lost-circulation problems. Well design examples are provided that show how near- and through-salt uncertainties may be included within a geomechanical well design for required mud weights while drilling. Salt is found in many hydrocarbon basins around the world. Significant deposits exist in the Gulf of Mexico (GoM), offshore West Africa and Brazil, in the Southern North Sea, Egypt, and the Middle East (Figure 1[1]). In deep water offshore North America, the GoM and offshore Nova Scotia (NE Canada) are notable areas of current oil and gas exploration and production. Significant exploration activity is also targeting areas offshore Angola and Brazil. The extent of deepwater exploration in the GoM is illustrated in Figure 2 that shows the steady march into deeper water, together with a focusing of efforts in the Sigsbee Escarpment areas of Green Canyon, Walker Ridge and Atwater Valley. The deepest wells in the GoM are reaching true vertical depths of up to 32,000 feet, with maximum-recorded downhole pressures in excess of 26,000 psi and bottomhole temperatures in excess of 400 F. Such wells may penetrate considerable thicknesses of salt - up to 20,000 feet of salt is not unheard of. With substantial discoveries and yet-to-find hydrocarbons being overlaid by salt, the impact of this 'mobile' formation on the entrapment of hydrocarbons has received much attention[2]. From a drilling and well integrity standpoint, however, the abundance of salt presents new and significant challenges of a geomechanical nature. Opportunities exist also, as the thick salt sections oftentimes permit the drilling of these deep wells in the first place. During the past five years, the industry has developed a more thorough understanding of salt-related risks. This paper draws upon many of these recent advances to formulate in detail the necessary geomechanical considerations for the successful design of through- and near-salt wells.

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Dynamic response of the thermal data capture unit

Proposed for publication in the Journal of Sound and Vibration.

Bhutani, Nipun

The dynamic response of a thermal data capture unit is calculated for a given missile flight test environment. Power spectral densities calculated from the analytical model were compared with the experimental results. Maximum peak displacements were used to calculate clearances required during the installation phase of system assembly.

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The effect of a simple annealing heat treatement on the mechanical properties of cold-sprayed aluminium

Proposed for publication in the Journal of Thermal Spray Technology.

Neiser, Richard A.

Cold spray, a new member of the thermal spray process family, can be used to prepare dense, thick metal coatings. It has tremendous potential as a spray-forming process. However, it is well known that significant cold work occurs during the cold spray deposition process. This cold work results in hard coatings but relatively brittle bulk deposits. This work investigates the mechanical properties of cold-sprayed aluminum and the effect of annealing on those properties. Cold spray coatings approximately 1 cm thick were prepared using three different feedstock powders: Valimet H-10: Valimet H-20: and Brodmann Flomaster. ASTM E8 tensile specimens were machined from these coatings and tested using standard tensile testing procedures. Each material was tested in two conditions: as-sprayed; and after a 300 C, 22h air anneal. The as-sprayed material showed high ultimate strength and low ductility, with <1% elongation. The annealed samples showed a reduction in ultimate strength but a dramatic increase in ductility, with up to 10% elongation. The annealed samples exhibited mechanical properties that were similar to those of wrought 1100 H14 aluminum. Microstructural examination and fractography clearly showed a change in fracture mechanism between the as-sprayed and annealed materials. These results indicate good potential for cold spray as a bulkforming process.

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Parameter sensitivities affecting the flutter speed of a MW-sized blade

Proposed for publication in the Journal of Solar Energy Engineering.

With the current trend toward larger and larger horizontal axis wind turbines, classical flutter is becoming a more critical issue. Recent studies have indicated that for a single blade turning in still air the flutter speed for a modern 35 m blade occurs at approximately twice its operating speed (2 per rev), whereas for smaller blades (5-9 m), both modern and early designs, the flutter speeds are in the range of 3.5-6 per rev. Scaling studies demonstrate that the per rev flutter speed should not change with scale. Thus, design requirements that change with increasing blade size are producing the concurrent reduction in per rev flutter speeds. In comparison with an early small blade design (5 m blade), flutter computations indicate that the non rotating modes which combine to create the flutter mode change as the blade becomes larger (i.e., for the larger blade the second flapwise mode, as opposed to the first flapwise mode for the smaller blade, combines with the first torsional mode to produce the flutter mode). For the more modern smaller blade design (9 m blade), results show that the non rotating modes that couple are similar to those of the larger blade. For the wings of fixed-wing aircraft, it is common knowledge that judicious selection of certain design parameters can increase the airspeed associated with the onset of flutter. Two parameters, the chordwise location of the center of mass and the ratio of the flapwise natural frequency to the torsional natural frequency, are especially significant. In this paper studies are performed to determine the sensitivity of the per rev flutter speed to these parameters for a 35 m wind turbine blade. Additional studies are performed to determine which structural characteristics of the blade are most significant in explaining the previously mentioned per rev flutter speed differences. As a point of interest, flutter results are also reported for two recently designed 9 m twist/coupled blades.

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CO2 laser welding fused silica

Knorovsky, Gerald A.; Reed, Scott

The feasibility of laser welding of fused silica (aka quartz) has been demonstrated recently by others. An application requiring hermetic sealing of a thin, pressure-bearing quartz diaphragm to a thicker frame led us to explore this technique. We found that laser welding techniques normally used for metallic parts caused scorching and uneven melting. Contrary to standard practices (near focus, high travel speed, high power density), successful welds in fused silica required a broad heat source applied over a large area under a slow rotation to gradually heat the glass through the annealing, softening and finally working temperatures. Furthermore, good mechanical contact between the parts to be joined played an even more important role in this process than in typical metallic joints. A 50 W CO2 laser with 4 f.l. ZnSe2 lens and rotary head was used to weld 0.425 OD, 0.006-0.010 thick, disks to 0.500 OD tubing with 0.125 walls. Several joint geometries and beam orientations were investigated. Temperature profiles were measured and compared to an FEM thermal model. We will discuss the effects of laser power, travel speed, number of passes, joint geometry and part thicknesses on achieving hermeticity and cosmetically-acceptable joints.

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Theoretical perspectives of terrorist enemies as networks

Spulak, Robert G.

This perspective of terrorist enemies as networks by two distinguished associate fellows of the Joint Special Operations University (JSOU) follows as a result of its recent initiative to support USSOCOM strategic planning for the Global War on Terrorism. The paper is a manifestation of JSOU's goals for contributing products that will advance SOF strategic art and generating strategic outreach to the military, civilian, and academic communities to enrich those products. Dr. Robert Spulak and Dr. Jessica Glicken Turnley presented the findings of this paper to assembled strategic planners from USSOCOM, other combatant commands, and interagency players at the Center for Special Operations plan development conference, September 2005, in Tampa, Florida. At that meeting, the authors put forward a number of helpful planning concepts based on their professional studies in science and the humanities and their experiences in government and business. The JSOU Strategic Studies Department is pleased to facilitate the association of USSOCOM strategic planners with civilian expertise and insights that can broaden military thought and encourage planning decisions directly relevant to the changing global environment. Through JSOU's strategic outreach initiative, experts in many professional disciplines have signaled their willingness to support the Nation's counterterrorism efforts. In that spirit, JSOU is proud to commend this paper to SOF readers and appreciates the support of Dr. Spulak and Dr. Turnley.

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DOE's effort to reduce truck aerodynamic drag through joint experiments and computations

Dechant, Lawrence; Hassan, Basil

Class 8 tractor-trailers are responsible for 11-12% of the total US consumption of petroleum. Overcoming aero drag represents 65% of energy expenditure at highway speeds. Most of the drag results from pressure differences and reducing highway speeds is very effective. The goal is to reduce aerodynamic drag by 25% which would translate to 12% improved fuel economy or 4,200 million gal/year. Objectives are: (1) In support of DOE's mission, provide guidance to industry in the reduction of aerodynamic drag; (2) To shorten and improve design process, establish a database of experimental, computational, and conceptual design information; (3) Demonstrate new drag-reduction techniques; and (4) Get devices on the road. Some accomplishments are: (1) Concepts developed/tested that exceeded 25% drag reduction goal; (2) Insight and guidelines for drag reduction provided to industry through computations and experiments; (3) Joined with industry in getting devices on the road and providing design concepts through virtual modeling and testing; and (4) International recognition achieved through open documentation and database.

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Production of cold formaldehyde molecules for study and control of chemical reaction

Proposed for publication in Physical Review Letters.

We propose a method for controlling a class of low temperature chemical reactions. Specifically, we show the hydrogen abstraction channel in the reaction of formaldehyde (H{sub 2}CO) and the hydroxyl radical (OH) can be controlled through either the molecular state or an external electric field. We also outline experiments for investigating and demonstrating control over this important reaction. To this end, we report the first Stark deceleration of H{sub 2}CO. We have decelerated a molecular beam of H{sub 2}CO essentially to rest, producing molecules at 100 mK with a density of {approx} 10{sup 6} cm{sup -3}.

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Between detection and neutralization

Adams, Douglas; Green, Mary W.; Snell, Mark K.; Pritchard, Daniel

Security system analytical performance analysis is generally based on the probability of system effectiveness. The probability of effectiveness is a function of the probabilities of interruption and neutralization. Interruption occurs if the response forces are notified in sufficient time to engage the adversary. Neutralization occurs if the adversary attack is defeated after the security forces have actively engaged the adversary. Both depend upon communications of data. This paper explores details of embedded communications functions that are often assumed to be inconsequential. It is the intent of the authors to bring focus to an issue in security system modeling that, if not well understood, has the potential to be a deciding factor in the overall system failure or effectiveness.

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Deuterium accelerator experiments for APT

Hertz, Kristin; Causey, Rion A.; Cowgill, Donald F.

Sandia National Laboratories in California initiated an experimental program to determine whether tritium retention in the tube walls and permeation through the tubes into the surrounding coolant water would be a problem for the Accelerator Production of Tritium (APT), and to find ways to mitigate the problem, if it existed. Significant holdup in the tube walls would limit the ability of APT to meet its production goals, and high levels of permeation would require a costly cleanup system for the cooling water. To simulate tritium implantation, a 200 keV accelerator was used to implant deuterium into Al 6061-T and SS3 16L samples at temperatures and particle fluxes appropriate for APT, for times varying between one week and five months. The implanted samples were characterized to determine the deuterium retention and Permeation. During the implantation, the D(d,p)T nuclear reaction was used to monitor the build-up of deuterium in the implant region of the samples. These experiments increased in sophistication, from mono-energetic deuteron implants to multi-energetic deuteron and proton implants, to more accurately reproduce the conditions expected in APT. Micron-thick copper, nickel, and anodized aluminum coatings were applied to the front surface of the samples (inside of the APT walls) in an attempt to lower retention and permeation. The reduction in both retention and permeation produced by the nickel coatings, and the ability to apply them to the inside of the APT tubes, indicate that both nickel-coated Al 6061-T6 and nickel-coated SS3 16L tubes would be effective for use in APT. The results of this work were submitted to the Accelerator Production of Tritium project in document number TPO-E29-Z-TNS-X-00050, APT-MP-01-17.

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Modeling of capacitive and electromagnetic field shielding effects in a CVT

Bou, Jimmy; Sanchez, Robert O.

In the discharge of a capacitor the current was measured with a current viewing transformer (CVT). In addition to measuring the current flowing through the CVT primary, a 51 MHz noise signal was added to the primary current. When the CVT was covered with a gold shield, the noise was eliminated. Analysis of the measured results indicate that the gold layer reflected the electromagnetic that was generated by current flowing in the primary and that the capacitance between the shield and the CVT secondary had no measurable effect on the CVT output.

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Characterization of Fuego for laminar and turbulent natural convection heat transfer

Francis, Nicholas D.

A computational fluid dynamics (CFD) analysis is conducted for internal natural convection heat transfer using the low Mach number code Fuego. The flow conditions under investigation are primarily laminar, transitional, or low-intensity level turbulent flows. In the case of turbulent boundary layers at low-level turbulence or transitional Reynolds numbers, the use of standard wall functions no longer applies, in general, for wall-bounded flows. One must integrate all the way to the wall in order to account for gradients in the dependent variables in the viscous sublayer. Fuego provides two turbulence models in which resolution of the near-wall region is appropriate. These models are the v2-f turbulence model and a Launder-Sharma, low-Reynolds number turbulence model. Two standard geometries are considered: the annulus formed between horizontal concentric cylinders and a square enclosure. Each geometry emphasizes wall shear flow and complexities associated with turbulent or near turbulent boundary layers in contact with a motionless core fluid. Overall, the Fuego simulations for both laminar and turbulent flows compared well to measured data, for both geometries under investigation, and to a widely accepted commercial CFD code (FLUENT).

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Remote inhibition of polymer degradation

Proposed for publication in Polymer.

Clough, Roger L.

Polymer degradation has been explored on the basis of synergistic infectious and inhibitive interaction between separate materials. A dual stage chemiluminescence detection system with individually controlled hot stages was applied to probe for interaction effects during polymer degradation in an oxidizing environment. Experimental confirmation was obtained that volatile antioxidants can be transferred over a relatively large distance. The thermal degradation of a polypropylene (PP) sample receiving traces of inhibitive antioxidants from a remote source is delayed. Similarly, volatiles from two stabilized elastomers were also capable of retarding a degradation process remotely. This observation demonstrates inhibitive cross-talk as a novel interactive phenomenon between different polymers and is consequential for understanding general polymer interactions, fundamental degradation processes and long-term aging effects of multiple materials in a single environment.

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Results 85601–85800 of 99,299
Results 85601–85800 of 99,299