Publications

Abstract not provided.

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.

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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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.

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.

Abstract not provided.

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.

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.

Abstract not provided.

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.

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.

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.

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.

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.

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.

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.

Abstract not provided.

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.

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.

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.

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.

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.

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).

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.

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).

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.

Abstract not provided.

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.

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.

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.

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.

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.

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.

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.

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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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.

Abstract not provided.

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).

Abstract not provided.

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.

Abstract not provided.

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.

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 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.

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.

Abstract not provided.

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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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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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.

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

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.

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.

Abstract not provided.

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.

Abstract not provided.

Two 100 kW min-1 (1.67 kW h-1) Li-ion battery energy storage systems (BESS) are described. The systems include a high-power Li-ion battery and a 100 kW power conditioning system (PCS). The battery consists of 12 modules of 12 series-connected Saft Li-ion VL30P cells. The stored energy of the battery ranges from 1.67 to 14 kW h-1 and has an operating voltage window of 515-405 V (dc). Two complete systems were designed, built and successfully passed factory acceptance testing after which each was deployed in a field demonstration. The first demonstration used the system to supplement distributed microturbine generation and to provide load following capability. The system was run at its rated power level for 3 min, which exceeded the battery design goal by a factor of 3. The second demonstration used another system as a stand-alone uninterrupted power supply (UPS). The system was available (online) for 1146 h and ran for over 2 min. © 2005 Elsevier B.V. All rights reserved.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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].

Abstract not provided.

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.

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.

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.

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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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.

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 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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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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