Publications

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A simplified ESBWR MELCOR model was developed to track the transport of iodine released from damaged reactor fuel in a hypothesized core damage accident. To account for the effects of iodine pool chemistry, radiolysis of air and cable insulation, and surface coatings (i.e., paint) the iodine pool model in MELCOR was activated. Modifications were made to MELCOR to add sodium pentaborate as a buffer in the iodine pool chemistry model. An issue of specific interest was whether iodine vapor removed from the drywell vapor space by the PCCS heat exchangers would be sequestered in water pools or if it would be rereleased as vapor back into the drywell. As iodine vapor is not included in the deposition models for diffusiophoresis or thermophoresis in current version of MELCOR, a parametric study was conducted to evaluate the impact of a range of iodine removal coefficients in the PCCS heat exchangers. The study found that higher removal coefficients resulted in a lower mass of iodine vapor in the drywell vapor space.

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Because of past military operations, lack of upkeep and looting there are now enormous radioactive waste problems in Iraq. These waste problems include destroyed nuclear facilities, uncharacterized radioactive wastes, liquid radioactive waste in underground tanks, wastes related to the production of yellow cake, sealed radioactive sources, activated metals and contaminated metals that must be constantly guarded. Iraq currently lacks the trained personnel, regulatory and physical infrastructure to safely and securely manage these facilities and wastes. In 2005 the International Atomic Energy Agency (IAEA) agreed to organize an international cooperative program to assist Iraq with these issues. Soon after, the Iraq Nuclear Facility Dismantlement and Disposal Program (the NDs Program) was initiated by the U.S. Department of State (DOS) to support the IAEA and assist the Government of Iraq (GOI) in eliminating the threats from poorly controlled radioactive materials. The Iraq NDs Program is providing support for the IAEA plus training, consultation and limited equipment to the GOI. The GOI owns the problems and will be responsible for implementation of the Iraq NDs Program. Sandia National Laboratories (Sandia) is a part of the DOS's team implementing the Iraq NDs Program. This report documents Sandia's support of the Iraq NDs Program, which has developed into three principal work streams: (1) training and technical consultation; (2) introducing Iraqis to modern decommissioning and waste management practices; and (3) supporting the IAEA, as they assist the GOI. Examples of each of these work streams include: (1) presentation of a three-day training workshop on 'Practical Concepts for Safe Disposal of Low-Level Radioactive Waste in Arid Settings;' (2) leading GOI representatives on a tour of two operating low level radioactive waste disposal facilities in the U.S.; and (3) supporting the IAEA's Technical Meeting with the GOI from April 21-25, 2008. As noted in the report, there was significant teaming between the various participants to best help the GOI. On-the-ground progress is the focus of the Iraq NDs Program and much of the work is a transfer of technical and practical skills and knowledge that Sandia uses day-to-day. On-the-ground progress was achieved in July of 2008 when the GOI began the physical cleanup and dismantlement of the Active Metallurgical Testing Laboratory (LAMA) facility at Al Tuwaitha, near Baghdad.

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This is a progress report on polynomial system solving for statistical modeling. This is a progress report on polynomial system solving for statistical modeling. This quarter we have developed our first model of shock response data and an algorithm for identifying the chamber cone containing a polynomial system in n variables with n+k terms within polynomial time - a significant improvement over previous algorithms, all having exponential worst-case complexity. We have implemented and verified the chamber cone algorithm for n+3 and are working to extend the implementation to handle arbitrary k. Later sections of this report explain chamber cones in more detail; the next section provides an overview of the project and how the current progress fits into it.

This report presents progress on identifying and classifying features involving combustion in turbulent flow using principal component analysis (PCA) and k-means clustering using an in situ analysis framework. We describe a process for extracting temporally- and spatially-varying information from the simulation, classifying the information, and then applying the classification algorithm to either other portions of the simulation not used for training the classifier or further simulations. Because the regions classified as being of interest take up a small portion of the overall simulation domain, it will consume fewer resources to perform further analysis or save these regions at a higher fidelity than previously possible. The implementation of this process is partially complete and results obtained from PCA of test data is presented that indicates the process may have merit: the basis vectors that PCA provides are significantly different in regions where combustion is occurring and even when all 21 species of a lifted flame simulation are correlated the computational cost of PCA is minimal. What remains to be determined is whether k-means (or other) clustering techniques will be able to identify combined combustion and flow features with an accuracy that makes further characterization of these regions feasible and meaningful.

The physical foundations and domain of applicability of the Kayenta constitutive model are presented along with descriptions of the source code and user instructions. Kayenta, which is an outgrowth of the Sandia GeoModel, includes features and fitting functions appropriate to a broad class of materials including rocks, rock-like engineered materials (such as concretes and ceramics), and metals. Fundamentally, Kayenta is a computational framework for generalized plasticity models. As such, it includes a yield surface, but the term 'yield' is generalized to include any form of inelastic material response including microcrack growth and pore collapse. Kayenta supports optional anisotropic elasticity associated with ubiquitous joint sets. Kayenta supports optional deformation-induced anisotropy through kinematic hardening (in which the initially isotropic yield surface is permitted to translate in deviatoric stress space to model Bauschinger effects). The governing equations are otherwise isotropic. Because Kayenta is a unification and generalization of simpler models, it can be run using as few as 2 parameters (for linear elasticity) to as many as 40 material and control parameters in the exceptionally rare case when all features are used. For high-strain-rate applications, Kayenta supports rate dependence through an overstress model. Isotropic damage is modeled through loss of stiffness and strength.

This is meant as a place to put commentary on the whitepaper and is meant to be pretty much ad-hoc. Because the whitepaper describes a potential program in DOE ASCR and because it concerns many researchers in the field, these notes are meant to be extendable by anyone willing to put in the effort. Of course criticisms of the contents of the notes themselves are also welcome.

Results of large scale nonequilibrium molecular dynamics simulations are presented for nanoparticles in an explicit solvent. The nanoparticles are modeled as a uniform distribution of Lennard-Jones particles, while the solvent is represented by standard Lennard-Jones particles. We present results for the shear rheology of spherical nanoparticles of diameter 10 times that of the solvent for a range of nanoparticle volume fractions. By varying the strength of the interactions between nanoparticles and with the solvent, this system can be used to model colloidal gels and glasses as well as hard spherelike nanoparticles. Effect of including the solvent explictly is demonstrated by comparing the pair correlation function of nanoparticles to that in an implicit solvent. The shear rheology for dumbbell nanoparticles made of two fused spheres is similar to that of single nanoparticle. © 2009 The American Physical Society.

Propagating reactions in initially planar cobalt/aluminum exothermic multilayer foils have been investigated using high-speed digital photography. Real-time observations of reactions indicate that unsteady (spinlike) reaction propagation leads to the formation of highly periodic surface morphologies with length scales ranging from 1 μm to 1 mm. The characteristics of propagating spinlike reactions and corresponding reacted foil morphologies depend on the bilayer thickness of multilayer foils. © 2009 American Institute of Physics.

Full-spectrum imaging is fast becoming a tool of choice for characterizing heterogeneous materials. Spectral images, which consist of a complete spectrum at each point in a spatial array, can be acquired from a wide variety of surface and microanalytical spectroscopic techniques. It is not uncommon that such spectral image data sets comprise tens of thousands of individual spectra, or more. Given the vast quantities of raw spectral data, factor analysis methods have proved indispensable for extracting the chemical information from these high-dimensional data sets into a limited number of factors that represent the spectral and spatial characteristics of the sample's composition. It is well known that factor models suffer a 'rotational ambiguity', that is, there are an infinite number of factor models that will fit the data equally well. Thus, physically inspired constraints are often employed to derive relatively unique models that make the individual factors more easily interpreted by the practicing analyst. In the present work, we note that many samples undergoing spectral image analysis are 'simple' in the sense that only one or a few of the sample's constituents are present at any particular location. When this situation prevails, simplicity in the spatial domain can be exploited to make the resulting factor models more realistic. In particular, orthogonal rotation of the spatial-domain vectors arising from singular value decomposition (SVD) of the spectral data matrix will be shown to be an effective method for making physically acceptable and easily interpretable estimates of the pure-component spectra and abundances. Copyright © 2009 John Wiley & Sons, Ltd.

Elucidating kinetic information (rate constants) from temporally resolved hyperspectral confocal fluorescence images offers some very important opportunities for the interpretation of spatially resolved hyperspectral confocal fluorescence images but also presents significant challenges, these being (1) the massive amount of data contained in a series of time-resolved spectral images (one time course of spectral data for each pixel) and (2) unknown concentrations of the reactants and products at time = 0, a necessary precondition normally required by traditional kinetic fitting approaches. This paper describes two methods for solving these problems: direct nonlinear (DNL) estimation of all parameters and separable least squares (SLS). The DNL method can be applied to reactions of any rate law, while the SLS method is restricted to first-order reactions. In SLS, the inherently linear and nonlinear parameters of first-order reactions are solved in separate linear and nonlinear steps, respectively. The new methods are demonstrated using simulated data sets and an experimental data set involving photobleaching of several fluorophores. This work demonstrates that both DNL and SLS hard-modeling methods applied to the kinetic modeling of temporally resolved hyperspectral images can outperform traditional soft-modeling and hard/soft-modeling methods which use multivariate curve resolution-alternating least squares (MCR-ALS) methods. In addition, the SLS method is much faster and is able to analyze much larger data sets than the DNL method. © 2009 Society for Applied Spectroscopy.

Natural helium is a screening tool for identifying the presence or absence of caprock imperfections. Imperfections can be manifested as a variety of features or processes, including insufficiently low permeability, preferential flowpaths such as fractures and faults, and the propensity for capillary breakthrough. Theory and simulations detail how various types of imperfections affect the spatial distribution of natural helium above, within, and below caprock in a single-phase, brine-saturated system. Specifically, the distribution of natural helium can reveal the presence of preferential flowpaths through formations with low matrix permeability. The distribution patterns of helium shed insight on the size, shape, location, and connectedness of imperfections in caprock. We show how imperfections associated with characteristic distributions of natural helium will affect the retention of CO2. We discuss the advantages of natural helium, together with temperature distributions, for revealing imperfections and the optimum locations for sampling the natural tracers. This research is being carried out to support design and interpretation of ongoing field-testing by the Southwest Regional Partnership on Carbon Sequestration. Specifically, we are evaluating seal integrity of the Partnership's Pump Canyon Enhanced Coalbed Methane- CO2 Storage Demonstration, located in the San Juan Basin, New Mexico. The caprock at this site is the Kirtland Formation. This formation is composed of a variety of continental deposits (sandstones, siltstones, mudrocks, and shales) and is ideal for investigating the capability of helium to characterize sealing integrity of a very heterogeneous caprock. We present results of analyses of noble gases and a variety of petrological and petrophysical analyses on core through this caprock. These results are used to investigate the presence of imperfections and their potential impact on CO2 migration and the overall viability of utilizing natural helium as a screening tool. The authors gratefully acknowledge the U.S. Department of Energy and the National Energy Technology Laboratory for sponsoring this project. © 2009 Elsevier Ltd. All rights reserved.

Inelastic neutron scattering, density functional theory, ab initio molecular dynamics, and classical molecular dynamics were used to examine the behavior of nanoconfined water in palygorskite and sepiolite. These complementary methods provide a strong basis to illustrate and correlate the significant differences observed in the spectroscopic signatures of water in two unique clay minerals. Distortions of silicate tetrahedra in the smaller-pore palygorskite exhibit a limited number of hydrogen bonds having relatively short bond lengths. However, without the distorted silicate tetrahedra, an increased number of hydrogen bonds are observed in the larger-pore sepiolite with corresponding longer bond distances. Because there is more hydrogen bonding at the pore interface in sepiolite than in palygorskite, we expect librational modes to have higher overall frequencies (i.e., more restricted rotational motions); experimental neutron scattering data clearly illustrates this shift in spectroscopic signatures. It follows that distortions of the silicate tetrahedra in these minerals effectively disrupt hydrogen-bonding patterns at the silicate?water interface, and this has a greater impact on the dynamical behavior of nanoconfined water than the actual size of the pore or the presence of coordinatively unsaturated magnesium edge sites.

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This document is a reference guide to the Xyce Parallel Electronic Simulator, and is a companion document to the Xyce Users Guide. The focus of this document is (to the extent possible) exhaustively list device parameters, solver options, parser options, and other usage details of Xyce. This document is not intended to be a tutorial. Users who are new to circuit simulation are better served by the Xyce Users Guide.

This manual describes the use of the Xyce Parallel Electronic Simulator. Xyce has been designed as a SPICE-compatible, high-performance analog circuit simulator, and has been written to support the simulation needs of the Sandia National Laboratories electrical designers. This development has focused on improving capability over the current state-of-the-art in the following areas: (1) Capability to solve extremely large circuit problems by supporting large-scale parallel computing platforms (up to thousands of processors). Note that this includes support for most popular parallel and serial computers. (2) Improved performance for all numerical kernels (e.g., time integrator, nonlinear and linear solvers) through state-of-the-art algorithms and novel techniques. (3) Device models which are specifically tailored to meet Sandia's needs, including some radiation-aware devices (for Sandia users only). (4) Object-oriented code design and implementation using modern coding practices that ensure that the Xyce Parallel Electronic Simulator will be maintainable and extensible far into the future. Xyce is a parallel code in the most general sense of the phrase - a message passing parallel implementation - which allows it to run efficiently on the widest possible number of computing platforms. These include serial, shared-memory and distributed-memory parallel as well as heterogeneous platforms. Careful attention has been paid to the specific nature of circuit-simulation problems to ensure that optimal parallel efficiency is achieved as the number of processors grows. The development of Xyce provides a platform for computational research and development aimed specifically at the needs of the Laboratory. With Xyce, Sandia has an 'in-house' capability with which both new electrical (e.g., device model development) and algorithmic (e.g., faster time-integration methods, parallel solver algorithms) research and development can be performed. As a result, Xyce is a unique electrical simulation capability, designed to meet the unique needs of the laboratory.

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Enhanced knowledge preservation for DOE DP technical component activities has recently received much attention. As part of this recent knowledge preservation effort, improved documentation of the sample preparation and electrical testing procedures for lead magnesium niobate--lead titanate (PMN/PT) qualification pellets was completed. The qualification pellets are fabricated from the same parent powders used to produce PMN/PT lightning arrestor connector (LAC) granules at HWF&T. In our report, the procedures for fired pellet surface preparation, electrode deposition, electrical testing and data recording are described. The dielectric measurements described in our report are an information only test. Technical reasons for selecting the electrode material, electrode size and geometry are presented. The electrical testing is based on measuring the dielectric constant and dissipation factor of the pellet during cooling from 280 C to 220 C. The most important data are the temperature for which the peak dielectric constant occurs (Curie Point temperature) and the peak dielectric constant magnitude. We determined that the peak dielectric constant for our procedure would be that measured at 1 kHz at the Curie Point. Both the peak dielectric constant and the Curie point parameters provide semi-quantitative information concerning the chemical and microstructural homogeneity of the parent material used for the production of PMN/PT granules for LACs. Finally, we have proposed flag limits for the dielectric data for the pellets. Specifically, if the temperature of the peak dielectric constant falls outside the range of 250 C {+-} 30 C we propose that a flag limit be imposed that will initiate communication between production agency and design agency personnel. If the peak dielectric constant measured falls outside the range 25,000 {+-} 10,000 we also propose that a flag limit be imposed.

The composite material research and development performed over the last year has greatly enhanced the capabilities of CTH for non-isotropic materials. The enhancements provide the users and developers with greatly enhanced capabilities to address non-isotropic materials and their constitutive model development. The enhancements to CTH are intended to address various composite material applications such as armor systems, rocket motor cases, etc. A new method for inserting non-isotropic materials was developed using Diatom capabilities. This new insertion method makes it possible to add a layering capability to a shock physics hydrocode. This allows users to explicitly model each lamina of a composite without the overhead of modeling each lamina as a separate material to represent a laminate composite. This capability is designed for computational speed and modeling efficiency when studying composite material applications. In addition, the layering capability also allows a user to model interlaminar mechanisms. Finally, non-isotropic coupling methods have been investigated. The coupling methods are specific to shock physics where the Equation of State (EOS) is used with a nonisotropic constitutive model. This capability elastically corrects the EOS pressure (typically isotropic) for deviatoric pressure coupling for non-isotropic materials.

This paper is a continuation of the work presented in SAND2007-2591 'Planar LTCC Transformers for High Voltage Flyback Converters'. The designs in that SAND report were all based on a ferrite tape/dielectric paste system originally developed by NASCENTechnoloy, Inc, who collaborated in the design and manufacturing of the planar LTCC flyback converters. The output/volume requirements were targeted to DoD application for hard target/mini fuzing at around 1500 V for reasonable primary peak currents. High voltages could be obtained but with considerable higher current. Work had begun on higher voltage systems and is where this report begins. Limits in material properties and processing capabilities show that the state-of-the-art has limited our practical output voltage from such a small part volume. In other words, the technology is currently limited within the allowable funding and interest.

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Sol-gel thermites, formulated from nanoporous oxides and dispersed fuel particles, may provide materials useful for small-scale, intense thermal sources, but understanding the factors affecting performance is critical prior to use. Work was conducted on understanding the synthesis conditions, thermal treatments, and additives that lead to different performance characteristics in iron oxide sol-gel thermites. Additionally, the safety properties of sol-gel thermites were investigated, especially those related to air sensitivity. Sol-gel thermites were synthesized using a variety of different techniques and there appear to be many viable routes to relatively equivalent thermites. These thermites were subjected to several different thermal treatments under argon in a differential scanning calorimeter, and it was shown that a 65 C hold for up to 200 minutes was effective for the removal of residual solvent, thus preventing boiling during the final thermal activation step. Vacuum-drying prior to this heating was shown to be even more effective at removing residual solvent. The addition of aluminum and molybdenum trioxide (MoO{sub 3}) reduced the total heat release per unit mass upon exposure to air, probably due to a decrease in the amount of reduced iron oxide species in the thermite. For the thermal activation step of heat treatment, three different temperatures were investigated. Thermal activation at 200 C resulted in increased ignition sensitivity over thermal activation at 232 C, and thermal activation at 300 C resulted in non-ignitable material. Non-sol-gel iron oxide did not exhibit any of the air-sensitivity observed in sol-gel iron oxide. In the DSC experiments, no bulk ignition of sol-gel thermites was observed upon exposure to air after thermal activation in argon; however ignition did occur when the material was heated in air after thermal treatment. In larger-scale experiments, up to a few hundred milligrams, no ignition was observed upon exposure to air after thermal activation in vacuum; however ignition by resistively-heated tungsten wire was possible. Thin films of thermite were fabricated using a dispersed mixture of aluminum and iron oxide particles, but ignition and propagation of these films was difficult. The only ignition and propagation observed was in a preheated sample.

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Salinas provides a massively parallel implementation of structural dynamics finite element analysis, required for high fidelity, validated models used in modal, vibration, static and shock analysis of structural systems. This manual describes the theory behind many of the constructs in Salinas. For a more detailed description of how to use Salinas , we refer the reader to Salinas, Users Notes. Many of the constructs in Salinas are pulled directly from published material. Where possible, these materials are referenced herein. However, certain functions in Salinas are specific to our implementation. We try to be far more complete in those areas. The theory manual was developed from several sources including general notes, a programmer notes manual, the user's notes and of course the material in the open literature.

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Bi-Te-based thermoelectric (TE) alloys are excellent candidates for power generation modules. We are interested in reliable TE modules for long-term use at or below 200 C. It is known that the metallurgical characteristics of TE materials and of interconnect components affect the performance of TE modules. Thus, we have conducted an extensive scientific investigation of several commercial TE modules to determine whether they meet our technical requirements. Our main focus is on the metallurgy and thermal stability of (Bi,Sb){sup 2}(Te,Se){sup 3} TE compounds and of other materials used in TE modules in the temperature range between 25 C and 200 C. Our study confirms the material suite used in the construction of TE modules. The module consists of three major components: AlN cover plates; electrical interconnects; and the TE legs, P-doped (Bi{sub 8}Sb{sub 32})(Te{sub 60}) and N-doped (Bi{sub 37}Sb{sub 3})(Te{sub 56}Se{sub 4}). The interconnect assembly contains Sn (Sb {approx} 1wt%) solder, sandwiched between Cu conductor with Ni diffusion barriers on the outside. Potential failure modes of the TE modules in this temperature range were discovered and analyzed. The results show that the metallurgical characteristics of the alloys used in the P and N legs are stable up to 200 C. However, whole TE modules are thermally unstable at temperatures above 160 C, lower than the nominal melting point of the solder suggested by the manufacture. Two failure modes were observed when they were heated above 160 C: solder melting and flowing out of the interconnect assembly; and solder reacting with the TE leg, causing dimensional swelling of the TE legs. The reaction of the solder with the TE leg occurs as the lack of a nickel diffusion barrier on the side of the TE leg where the displaced solder and/or the preexisting solder beads is directly contact the TE material. This study concludes that the present TE modules are not suitable for long-term use at temperatures above 160 C due to the reactivity between the Sn-solder and the (Bi,Sb){sup 2}(Te,Se){sup 3} TE alloys. In order to deploy a reliable TE power generator for use at or below 200 C, alternate interconnect materials must be used and/or a modified module fabrication technique must be developed.

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Spatially-distributed arrays of seismometers are often utilized to infer the speed and direction of incident seismic waves. Conventionally, individual seismometers of the array measure one or more orthogonal components of rectilinear particle motion (displacement, velocity, or acceleration). The present work demonstrates that measure of both the particle velocity vector and the particle rotation vector at a single point receiver yields sufficient information to discern the type (compressional or shear), speed, and direction of an incident plane seismic wave. Hence, the approach offers the intriguing possibility of dispensing with spatially-extended received arrays, with their many problematic deployment, maintenance, relocation, and post-acquisition data processing issues. This study outlines straightforward mathematical theory underlying the point seismic array concept, and implements a simple cross-correlation scanning algorithm for determining the azimuth of incident seismic waves from measured acceleration and rotation rate data. The algorithm is successfully applied to synthetic seismic data generated by an advanced finite-difference seismic wave propagation modeling algorithm. Application of the same azimuth scanning approach to data acquired at a site near Yucca Mountain, Nevada yields ambiguous, albeit encouraging, results. Practical issues associated with rotational seismometry are recognized as important, but are not addressed in this investigation.

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The object of the 'Enabling Immersive Simulation for Complex Systems Analysis and Training' LDRD has been to research, design, and engineer a capability to develop simulations which (1) provide a rich, immersive interface for participation by real humans (exploiting existing high-performance game-engine technology wherever possible), and (2) can leverage Sandia's substantial investment in high-fidelity physical and cognitive models implemented in the Umbra simulation framework. We report here on these efforts. First, we describe the integration of Sandia's Umbra modular simulation framework with the open-source Delta3D game engine. Next, we report on Umbra's integration with Sandia's Cognitive Foundry, specifically to provide for learning behaviors for 'virtual teammates' directly from observed human behavior. Finally, we describe the integration of Delta3D with the ABL behavior engine, and report on research into establishing the theoretical framework that will be required to make use of tools like ABL to scale up to increasingly rich and realistic virtual characters.

The motivating vision behind Sandia's MENTOR/PAL LDRD project has been that of systems which use real-time psychophysiological data to support and enhance human performance, both individually and of groups. Relevant and significant psychophysiological data being a necessary prerequisite to such systems, this LDRD has focused on identifying and refining such signals. The project has focused in particular on EEG (electroencephalogram) data as a promising candidate signal because it (potentially) provides a broad window on brain activity with relatively low cost and logistical constraints. We report here on two analyses performed on EEG data collected in this project using the SOBI (Second Order Blind Identification) algorithm to identify two independent sources of brain activity: one in the frontal lobe and one in the occipital. The first study looks at directional influences between the two components, while the second study looks at inferring gender based upon the frontal component.

A laboratory testing program was developed to examine the mechanical behavior of salt from the Richton salt dome. The resulting information is intended for use in design and evaluation of a proposed Strategic Petroleum Reserve storage facility in that dome. Core obtained from the drill hole MRIG-9 was obtained from the Texas Bureau of Economic Geology. Mechanical properties testing included: (1) acoustic velocity wave measurements; (2) indirect tensile strength tests; (3) unconfined compressive strength tests; (4) ambient temperature quasi-static triaxial compression tests to evaluate dilational stress states at confining pressures of 725, 1450, 2175, and 2900 psi; and (5) confined triaxial creep experiments to evaluate the time-dependent behavior of the salt at axial stress differences of 4000 psi, 3500 psi, 3000 psi, 2175 psi and 2000 psi at 55 C and 4000 psi at 35 C, all at a constant confining pressure of 4000 psi. All comments, inferences, discussions of the Richton characterization and analysis are caveated by the small number of tests. Additional core and testing from a deeper well located at the proposed site is planned. The Richton rock salt is generally inhomogeneous as expressed by the density and velocity measurements with depth. In fact, we treated the salt as two populations, one clean and relatively pure (> 98% halite), the other salt with abundant (at times) anhydrite. The density has been related to the insoluble content. The limited mechanical testing completed has allowed us to conclude that the dilatational criteria are distinct for the halite-rich and other salts, and that the dilation criteria are pressure dependent. The indirect tensile strengths and unconfined compressive strengths determined are consistently lower than other coastal domal salts. The steady-state-only creep model being developed suggests that Richton salt is intermediate in creep resistance when compared to other domal and bedded salts. The results of the study provide only limited information for structural modeling needed to evaluate the integrity and safety of the proposed cavern field. This study should be augmented with more extensive testing. This report documents a series of test methods, philosophies, and empirical relationships, etc., that are used to define and extend our understanding of the mechanical behavior of the Richton salt. This understanding could be used in conjunction with planned further studies or on its own for initial assessments.

Tensor decompositions are higher-order analogues of matrix decompositions and have proven to be powerful tools for data analysis. In particular, we are interested in the canonical tensor decomposition, otherwise known as the CANDECOMP/PARAFAC decomposition (CPD), which expresses a tensor as the sum of component rank-one tensors and is used in a multitude of applications such as chemometrics, signal processing, neuroscience, and web analysis. The task of computing the CPD, however, can be difficult. The typical approach is based on alternating least squares (ALS) optimization, which can be remarkably fast but is not very accurate. Previously, nonlinear least squares (NLS) methods have also been recommended; existing NLS methods are accurate but slow. In this paper, we propose the use of gradient-based optimization methods. We discuss the mathematical calculation of the derivatives and further show that they can be computed efficiently, at the same cost as one iteration of ALS. Computational experiments demonstrate that the gradient-based optimization methods are much more accurate than ALS and orders of magnitude faster than NLS.

In the years leading up to the Compliance Certification Application in 1996, scientists working on the Waste Isolation Pilot Plant (WIPP) conducted an extensive suite of laboratory and field experiments. Additionally, full-scale experiments in the underground established performance standards and expectations, while the fundamental science of salt deformation was explored in the laboratory. Field experiments included several at elevated temperature to ascertain salt response under conditions anticipated for the operating repository, which at the outset included heat-generating defense waste. Simulations and predictions of the field tests were made using finite element computer models that incorporated sophisticated models for salt deformation. Parameters for the salt model were derived from laboratory experiments on natural salt extracted from the repository horizon. All of these science investigations provided confidence in the predicted behavior of the salt at WIPP. Lastly, on this tenth anniversary of WIPP operations, this paper recounts some of the geomechanics investigations conducted during site characterization, highlights three key geomechanics issues experienced over the decade of operations, and concludes that our basic understanding of salt mechanics portends a promising future for radioactive waste disposal in salt.

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This document describes the testing and facility requirements to support the Yucca Mountain Project long-term corrosion testing program. The purpose of this document is to describe a corrosion testing program that will (a) reduce model uncertainty and variability, (b) reduce the reliance upon overly conservative assumptions, and (c) improve model defensibility. Test matrices were developed for 17 topical areas (tasks): each matrix corresponds to a specific test activity that is a subset of the total work performed in a task. A future document will identify which of these activities are considered to be performance confirmation activities. Detailed matrices are provided for FY08, FY09 and FY10 and rough order estimates are provided for FY11-17. Criteria for the selection of appropriate test facilities were developed through a meeting of Lead Lab and DOE personnel on October 16-17, 2007. These criteria were applied to the testing activities and recommendations were made for the facility types appropriate to carry out each activity. The facility requirements for each activity were assessed and activities were identified that can not be performed with currently available facilities. Based on this assessment, a total of approximately 10,000 square feet of facility space is recommended to accommodate all future testing, given that all testing is consolidated to a single location. This report is a revision to SAND2008-4922 to address DOE comments.

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This report summarizes the work completed during FY2007 and FY2008 for the LDRD project ''Hybrid Plasma Modeling''. The goal of this project was to develop hybrid methods to model plasmas across the non-continuum-to-continuum collisionality spectrum. The primary methodology to span these regimes was to couple a kinetic method (e.g., Particle-In-Cell) in the non-continuum regions to a continuum PDE-based method (e.g., finite differences) in continuum regions. The interface between the two would be adjusted dynamically ased on statistical sampling of the kinetic results. Although originally a three-year project, it became clear during the second year (FY2008) that there were not sufficient resources to complete the project and it was terminated mid-year.

IWA (Isentropic Wave Analysis) is a program for analyzing velocity profiles of isentropic compression experiments. IWA applies incremental impedance matching correction to measured velocity profiles to obtain in-situ particle velocity profiles for Lagrangian wave analysis. From the in-situ velocity profiles, material properties such as wave velocities, stress, strain, strain rate, and strength are calculated. The program can be run in any current version of MATLAB (2008a or later) or as a Windows XP executable.

The annual program report provides detailed information about all aspects of the Sandia National Laboratories, California (SNL/CA) Waste Management Program. It functions as supporting documentation to the SNL/CA Environmental Management System rogram Manual. This annual program report describes the activities undertaken during the past year, and activities planned in future years to implement the Waste Management (WM) Program, one of six programs that supports environmental management at SNL/CA.

The annual program report provides detailed information about all aspects of the Sandia National Laboratories, California (SNL/CA) Hazardous Materials Management Program. It functions as supporting documentation to the SNL/CA Environmental anagement ystem Program Manual. This program annual report describes the activities undertaken during the past year, and activities planned in future years to implement the Hazardous Materials Management Program, one of six programs that supports environmental management at SNL/CA.

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This guide describes the R&A process, Common Look and Feel requirements, and preparation and publishing procedures for communication products at Sandia National Laboratories. Samples of forms and examples of published communications products are provided.

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This paper delivers a brief survey of renewable energy technologies applicable to Alaska's climate, latitude, geography, and geology. We first identify Alaska's natural renewable energy resources and which renewable energy technologies would be most productive. e survey the current state of renewable energy technologies and research efforts within the U.S. and, where appropriate, internationally. We also present information on the current state of Alaska's renewable energy assets, incentives, and commercial enterprises. Finally, we escribe places where research efforts at Sandia National Laboratories could assist the state of Alaska with its renewable energy technology investment efforts.

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Computational and mathematical models are developed in engineering to represent the behavior of physical systems to various system inputs and conditions. These models are often used to predict at other conditions, rather than to just reproduce the behavior of data obtained at the experimental conditions. For example, the boundary or initial conditions, time of prediction, geometry, material properties, and other model parameters can be different at test conditions than those for an anticipated application of a model. Situations for which the conditions may differ include those for which (1) one is in the design phase and a prototype of the system has not been constructed and tested under the anticipated conditions, (2) only one version of a final system can be built and destructive testing is not feasible, or (3) the anticipated design conditions are variable and one cannot easily reproduce the range of conditions with a limited number of carefully controlled experiments. Because data from these supporting experiments have value in model validation, even if the model was tested at different conditions than an anticipated application, methodology is required to evaluate the ability of the validation experiments to resolve the critical behavior for the anticipated application. The methodology presented uses models for the validation experiments and a model for the application to address how well the validation experiments resolve the application. More specifically, the methodology investigates the tradeoff that exists between the uncertainty (variability) in the behavior of the resolved critical variables for the anticipated application and the ability of the validation experiments to resolve this behavior. The important features of this approach are demonstrated through simple linear and non-linear heat conduction examples.

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Ion traps present a potential architecture for future quantum computers. These computers are of interest due to their increased power over classical computers stemming from the superposition of states and the resulting capability to simultaneously perform many computations. This paper describes a software application used to prepare and visualize simulations of trapping and maneuvering ions in ion traps.

To analyze the risks due to cyber attack against control systems used in the United States electrical infrastructure, new algorithms are needed to determine the possible impacts. This research is studying the Reliability Impact of Cyber ttack (RICA) in a two-pronged approach. First, malevolent cyber actions are analyzed in terms of reduced grid reliability. Second, power system impacts are investigated using an abstraction of the grid's dynamic model. This second year of esearch extends the work done during the first year.

This report summarizes existing statistical engines in VTK/Titan and presents the recently parallelized multi-correlative and principal component analysis engines. It is a sequel to [PT08] which studied the parallel descriptive and correlative engines. The ease of use of these parallel engines is illustrated by the means of C++ code snippets. Furthermore, this report justifies the design of these engines with parallel scalability in mind; then, this theoretical property is verified with test runs that demonstrate optimal parallel speed-up with up to 200 processors.

The purpose of this report is to provide an overview of Micro-System technology as it applies to inertial sensing. Transduction methods are reviewed with capacitance and piezoresistive being the most often used in COTS Micro-electro-mechanical system (MEMS) inertial sensors. Optical transduction is the most recent transduction method having significant impact on improving sensor resolution. A few other methods are motioned which are in a R&D status to hopefully allow MEMS inertial sensors to become viable as a navigation grade sensor. The accelerometer, gyroscope and gravity gradiometer are the type of inertial sensors which are reviewed in this report. Their method of operation and a sampling of COTS sensors and grade are reviewed as well.

We previously demonstrated that the supramolecular self-assembly of cyanines could be useful for developing fluorescent enzymatic assays. We took that concept a step further by synthesizing a covalent adduct of the tetrapeptide Asp-Glu-Val-Asp (DEVD) and a cyanine (DEVD-cyanine). The DEVD-cyanine due to its canonical sequence was recognized and hydrolyzed by the proteases, Caspase-3 and -7 in 96- or 384-microwell plate reactions. The catalytically liberated cyanine self-assembled upon scaffolds of carboxymethylamylose (CMA), carboxymethylcellulose (CMC), or a mixture of CMA and CMC resulting in a J aggregate exhibiting bright fluorescence at a 470 nm emission wavelength (optimum signal/background using excitation wavelengths of 415-440 nm). The fluorescence intensity increased with enzyme and substrate concentrations or reaction time and exhibited classical saturation profiles of a rectangular hyperbola. Saturation of the reaction was at 30 U/mL (1 μg/mL) Caspase-3 and 250 μM DEVD-cyanine. The reaction kinetics was linear between 1 and 20 min and saturated at 60 min. The affinity constant (Km) for DEVD-cyanine was ∼23 μM, similar to those of previously reported values for other DEVD substrates of Caspase-3. Maximal fluorescence emission was observed by using a mixture of CMA and CMC scaffolds at 65 and 35 μM, respectively. The reaction kinetics of Caspase-7 executed in a 384-well plate was similar to the reaction kinetics of Caspase-3 conducted in a 96-well plate. We believe that this is the first demonstration of a cyanine liberated from a covalent adduct due to protease action, leading to supramolecular self-assembly and the detection of protease activity. © 2009 American Chemical Society.

The outline of this presentation is: (1) Applications of Kovar Alloy in metal/ceramic brazing; (2) Diffusion bonding of precision-photoetched Kovar parts; (3) Sample composition and annealing conditions; (4) Intermediate temperature creep properties (350-650 C); (5) Power law creep correlations--with and without modulus correction; (6) Compressive stress-strain properties (23-900 C); (7) Effect of creep deformation on grain growth; and (8) Application of the power law creep correlation to the diffusion bonding application. The summary and conclusions are: Elevated temperature creep properties of Kovar from 750-900 C obey a power law creep equation with a stress exponent equal to 4.9, modulus compensated activation energy of 47.96 kcal/mole. Grain growth in Kovar creep samples tested at 750 and 800 C is quite sluggish. Significant grain growth occurs at 850 C and above, this is consistent with isothermal grain growth studies performed on Kovar alloy wires. Finite element analysis of the diffusion bonding of Kovar predict that stresses of 30 MPa and higher are needed for good bonding at 850 C, we believe that 'sintering' effects must be accounted for to allow FEA to be predictive of actual processing conditions. Additional creep tests are planned at 250-650 C.

A study proposed that metal-organic frameworks (MOF) can potentially offer the desired level of structural control, leading to the formation of a new class of radiation detection materials. It was found that the rigid structure of MOFs can create permanent nonporosity. It was demonstrated permanent nonporosity has the potential for gas storage,separations, catalysis, and sensing. It was demonstrated that this feature of MOFs can be beneficial in scintillation materials, enabling MOFs to serve as hosts for wavelength shifters, or elements designed to improve the detection cross-section. It was observed that MOFs, along with scintillation materials, present significant opportunity to perform crystal engineering, creating the potential for rational design of new scintillation materials. Spectroscopic measurements of these MOFs, using single crystals demonstrated that they respond to ionizing radiation by emitting light, creating a new class of scintillation materials.

A subscale experiment has been constructed using fins mounted on one wall of a transonic wind tunnel to investigate the influence of fin trailing vortices upon downstream control surfaces. Data were collected using a fin balance instrumenting the downstream fin to measure the aerodynamic forces of the interaction, combined with stereoscopic particle image velocimetry to determine vortex properties. The fin balance data show that the response of the downstream fin essentially is shifted from the baseline single-fin data dependent upon the angle of attack of the upstream fin. Freestream Mach number and the spacing between fins have secondary effects. The velocimetry shows the increase in vortex strength with upstream fin angle of attack, but no variation with Mach number can be discerned in the normalized velocity data. Correlations between the force data and the velocimetry indicate that the interaction is fundamentally a result of an angle of attack superposed upon the downstream fin by the vortex shed from the upstream fin tip. The Mach number influence arises from differing vortex lift on the leading edge of the downstream fin even when the impinging vortex is Mach invariant. Copyright Clearance Center, Inc.

Stratified flames are common in practical combustion systems. However, relatively little is known about the detailed structure of turbulent stratified flames. Multiscalar laser diagnostics, consisting of simultaneous line imaging of Raman scattering, Rayleigh scattering, and two-photon laser-induced fluorescence (LIF) of CO, combined with crossed planar imaging of OH LIF, are applied to turbulent premixed and stratified CH4/air flames stabilized above a slot burner. A new detection system for the line-imaged measurements allows a pixel resolution of 0.104 mm in the results for temperature, major species concentrations, and the local equivalence ratio. Results from premixed flames demonstrate that this diagnostic system is capable of resolving the internal structure of stratified flames at atmospheric pressure. In particular, the local equivalence ratio and the gradient in temperature are measured with good accuracy on a single-shot basis. Results from stratified flames reveal a broad range of instantaneous conditions, and show that significant gradients in equivalence ratio can occur within the instantaneous thermal thickness of turbulent stratified flames. © 2009 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

The kinetics of the CH3 + HO2 bimolecular reaction and the thermal decomposition of CH3OOH are studied theoretically. Direct variable reaction coordinate transition state theory (VRC-TST), coupled with high level multireference electronic structure calculations, is used to compute capture rates for the CH3 + HO2 reaction and to characterize the transition state of the barrierless CH3O + OH product channel. The CH2O + H2O product channel and the CH3 + HO2 → CH4 + O2 reaction are treated using variational transition state theory and the harmonic oscillator and rigid rotor approximations. Pressure dependence and product branching in the bimolecular and decomposition reactions are modeled using master equation simulations. The predicted rate coefficients for the major products channels of the bimolecular reaction, CH3O + OH and CH 4 + O2, are found to be in excellent agreement with values obtained in two recent modeling studies. The present calculations are also used to obtain rate coefficients for the CH3O + OH association/ decomposition reaction. © 2009 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

The combustion chemistry of morpholine (l-oxa-4-aza-cyclohexane) was investigated under laminar, premixed low-pressure conditions. Morpholine, as a heterocyclic secondary amine with numerous industrial applications, was studied as a model fuel which simultaneously contains oxygen and nitrogen heteroatoms. Stable and radical intermediates and products of the combustion process in a slightly fuel-rich φ = 1.3 (C/O = 0.41) flat premixed morpholine-oxygen- argon flame at 40 mbar (4kPa) were identified. A detailed fuel destruction scheme is proposed based on combined measurements using two different in situ molecular beam mass spectrometry (MBMS) techniques. The results are discussed with special attention to hydrocarbon, oxygenated and N-containing compounds important in pollutant emission. © 2009 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

We present a dual-pump coherent anti-Stokes Raman scattering (CARS) instrument, which has been constructed for the probing of temperature fluctuations in turbulent pool fires of meter-scale. The measurements were performed at the Fire Laboratory for Accreditation of Models and Experiments (FLAME) facility at Sandia National Laboratories, which provides a canonical fire plume in quiescent wind conditions, with well-characterized boundary conditions and access for modern laser-diagnostic probes. The details of the dual-pump CARS experimental facility for the fire-science application are presented, and single-laser-shot CARS spectra containing information from in-fire N2, O2, H2, and CO2 are provided. Single-shot temperatures are obtained from spectral fitting of the Raman Q-branch signature of N2, from which histograms that estimate the pdf of the enthalpy-averaged temperature fluctuations at the center of the fire plume are presented. Results from two different sooting fire experiments reveal excellent test-to-test repeatability of the fire plume provided by FLAME, as well as the CARS-measured temperatures. The accuracy and precision of the CARS temperatures is assessed from measurements in furnace-heated air, where the temperature can be accurately determined by a thermocouple. At temperatures in excess of 500 K, the furnace results show that the CARS measurements are accurate to within 2-3% and precise to within ±3-5% of the measured absolute temperature. © 2009 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

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An automated procedure has been previously developed to generate simplified skeletal reaction mechanisms for the combustion of n-heptane/air mixtures at equivalence ratios between 0.5 and 2.0 and different pressures. The algorithm is based on a Computational Singular Perturbation (CSP)-generated database of importance indices computed from homogeneous n-heptane/air ignition solutions. In this paper, we examine the accuracy of these simplified mechanisms when they are used for modeling laminar n-heptane/air premixed flames. The objective is to evaluate the accuracy of the simplified models when transport processes lead to local mixture compositions that are not necessarily part of the comprehensive homogeneous ignition databases. The detailed mechanism was developed by Curran et al. and involves 560 species and 2538 reactions. The smallest skeletal mechanism considered consists of 66 species and 326 reactions. We show that these skeletal mechanisms yield good agreement with the detailed model for premixed n-heptane flames, over a wide range of equivalence ratios and pressures, for global flame properties. They also exhibit good accuracy in predicting certain elements of internal flame structure, especially the profiles of temperature and major chemical species. On the other hand, we find larger errors in the concentrations of many minor/radical species, particularly in the region where low-temperature chemistry plays a significant role. We also observe that the low-temperature chemistry of n-heptane can play an important role at very lean or very rich mixtures, reaching these limits first at high pressure. This has implications to numerical simulations of non-premixed flames where these lean and rich regions occur naturally. © 2009 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

A subscale experiment has been constructed using fins mounted on one wall of a transonic wind tunnel to investigate the influence of fin trailing vortices upon downstream control surfaces. Data were collected using a fin balance instrumenting the downstream fin to measure the aerodynamic forces of the interaction, combined with stereoscopic particle image velocimetry to determine vortex properties. The fin balance data show that the response of the downstream fin essentially is shifted from the baseline single-fin data dependent upon the angle of attack of the upstream fin. Freestream Mach number and the spacing between fins have secondary effects. The velocimetry shows the increase in vortex strength with upstream fin angle of attack, but no variation with Mach number can be discerned in the normalized velocity data. Correlations between the force data and the velocimetry indicate that the interaction is fundamentally a result of an angle of attack superposed upon the downstream fin by the vortex shed from the upstream fin tip. The Mach number influence arises from differing vortex lift on the leading edge of the downstream fin even when the impinging vortex is Mach invariant. Copyright Clearance Center, Inc.

Although smolder combustion has been extensively studied both computationally and experimentally, relatively few theoretical studies have examined the two-dimensional structure of the smolder wave. In this paper, two-dimensional smolder in polyurethane foam is modeled with a two-dimensional numerical formulation that includes a seven-step kinetic model of the polyurethane smolder reaction mechanism. The two-dimensional model formulation includes the effects of heat, mass, species, and momentum transfer of the porous solid and gas phase. The seven-step decomposition reaction mechanism, which includes a secondary char oxidation and an additional char pyrolysis step, was developed using genetic algorithm optimization. The mechanism is capable of modeling both forward and opposed smolder. The model was used to study the two-dimensionality of a forward propagating smolder wave. The model results show a two-dimensional structure in the temperature, species, and reaction profiles that agrees qualitatively with experimental observations. Oxygen is consumed at the reaction front, as expected, which leads to different reaction pathways governing the final products (i.e. thermal char and oxidative char). It was found that the model response is sensitive to boundary conditions, thermal properties, and heats of reaction for the char oxidation reaction. The incorporation of the secondary oxidation reaction step in the model paves the way to further analysis of the transition to flaming process. © 2009 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

An experimental study was performed to determine the fraction of the heat flux that is due to radiation (sometimes referred to as radiation partitioning of the total heat flux measurement) to a calorimeter engulfed in a large methanol pool fire to improve understanding and develop high-quality data for the validation of fire models. Diagnostics employed include Coherent Anti-Stokes Raman Spectroscopy (CARS), Particle Image Velocimetry (PIV), total and radiative thermometry, and thermocouples. Data are presented not only for the physics measurements but also for all initial and boundary conditions required as necessary inputs to computational models. The large physical scale, the experimental design (enhanced convection relative to radiation heat transfer), the use of independent measurement techniques, and the attention to data quality, provide a unique dataset that emphasizes the convective component to support numerical fire model validation for convective and radiative heat transfer in fires. © 2009 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

This paper develops deformational response power descriptions of multiple degree-of-freedom systems due to stationary random vibration excitation. Two new concepts are developed. The deformational response power density (DRPD) can be computed when a structure's natural frequencies and modal masses are available. The DRPD shows the spectral content of the deformational power delivered to a specific structure by the stationary, random excitation. This function can be found through a weighted windowing of the power spectrum of the input acceleration excitation. Deformational response input power spectra (DRIPS), similar to the input energy spectrum and shock response spectrum, give the power delivered to single-degree-of-freedom systems as a function of natural frequency. It is shown that the DRIPS is simply a smoothed version of the power spectrum of the input acceleration excitation. The DRIPS gives rise to a useful power-based data smoothing operation. © 2009 - IOS Press.

Advanced compression-ignition (CI) engines can deliver both high efficiencies and very low NOx and particulate (PM) emissions. Efficiencies are comparable to conventional diesel engines, but unlike conventional diesel engines, the charge is highly dilute and premixed (or partially premixed) to achieve low emissions. Dilution is accomplished by operating either lean or with large amounts of EGR. The development of these advanced CI engines has evolved mainly along two lines. First, for fuels other than diesel, a combustion process commonly known as homogeneous charge compression-ignition (HCCI) is generally used, in which the charge is premixed before being compression ignited. Although termed "homogeneous," there are always some thermal or mixture inhomogeneities in real HCCI engines, and it is sometimes desirable to introduce additional stratification. Second, for diesel fuel (which autoignites easily but has low volatility) an alternative low-temperature combustion (LTC) approach is used, in which the autoignition is closely coupled to the fuel-injection event to provide control over ignition timing. To obtain dilute LTC, this approach relies on high levels of EGR, and injection timing is typically shifted 10-15° CA earlier or later than for conventional diesel combustion so temperatures are lower, which delays ignition and provides more time for premixing. Although these advanced CI combustion modes have important advantages, there are difficulties to implementing them in practical engines. In this article, the principles of HCCI and diesel LTC engines are reviewed along with the results of research on the in-cylinder processes. This research has resulted in substantial progress toward overcoming the main challenges facing these engines, including: improving low-load combustion efficiency, increasing the high-load limit, understanding fuel effects, and maintaining low NOx and PM emissions over the operating range. © 2009 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

The development of a manufactured solution for enclosure radiation in an infinitely long circular cylinder with a nonparticipating medium is presented. This solution is then used to verify the correct implementation of the commonly used discrete enclosure equations. The circular cross section is approximated by a faceted geometry; the numbers of facets used are 4, 8, 16, 32, 64, and 128. The crossed-string method, which is exact in this application, is used to compute the view factors. Computational results using six levels of grid refinement suggest that the error norm between the integral equation solution and the discrete equation solution behaves as h2 where h is a characteristic mesh size.

Phononic crystals are the acoustic wave analogue of photonic crystals. Here a periodic array of scattering inclusions located in a homogeneous host material forbids certain ranges of acoustic frequencies from existence within the crystal, thus creating what are known as acoustic bandgaps. The majority of previously reported phononic crystal devices have been constructed by hand, assembling scattering inclusions in a viscoelastic medium, predominantly air, water or epoxy, resulting in large structures limited to frequencies below 1 MHz. Recently, phononic crystals and devices have been scaled to VHF (30-300 MHz) frequencies and beyond by utilizing microfabrication and micromachining technologies. This paper reviews recent developments in the area of micro-phononic crystals including design techniques, material considerations, microfabrication processes, characterization methods and reported device structures. Micro-phononic crystal devices realized in low-loss solid materials are emphasized along with their potential application in radio frequency communications and acoustic imaging for medical ultrasound and nondestructive testing. The reported advances in batch micro-phononic crystal fabrication and simplified testing promise not only the deployment of phononic crystals in a number of commercial applications but also greater experimentation on a wide variety of phononic crystal structures. © 2009 IOP Publishing Ltd.

This paper presents a derivation of an expression to estimate the accommodation coefficient for gas collisions with a graphite surface, which is meant for use in models of laser-induced incandescence (LII) of soot. Energy transfer between gas molecules and solid surfaces has been studied extensively, and a considerable amount is known about the physical mechanisms important in thermal accommodation. Values of accommodation coefficients currently used in LII models are temperature independent and are based on a small subset of information available in the literature. The expression derived in this study is based on published data from state-to-state gas-surface scattering experiments. The present study compiles data on the temperature dependence of translational, rotational, and vibrational energy transfer for diatomic molecules (predominantly NO) colliding with graphite surfaces. The data were used to infer partial accommodation coefficients for translational, rotational, and vibrational degrees of freedom, which were consolidated to derive an overall accommodation coefficient that accounts for accommodation of all degrees of freedom of the scattered gas distributions. This accommodation coefficient can be used to calculate conductive cooling rates following laser heating of soot particles.

The combination of Proximity-field nanoPatterning (PnP) and graded temperature ALD has enabled the synthesis of robust three dimensional nanostructures. The PnP process uses a simple elastomeric optical phase mask to generate a complex three dimensional interference pattern in photopolymer 1. Once the photopolymer structure has been obtained, it is subsequently used as a template for graded temperature ALD. The graded temperature ALD chemistry is used to coat and lock-in the designed nanostructure without melting the template. This process generates a thermally robust nanostructure for further, higher temperature, ALD surface treatments. The ALD chemistry is performed at various (increasing) temperatures to secure the nanostructure and to reduce the macroscopic stress of the structure as higher temperature depositions are performed. Three methods for nanostructure characterization have been useful in interrogating these structures: quartz crystal microbalance (QCM), optical interference, and focused ion beam scanning electron microscopy (FIB-SEM). This paper will cover the fabrication process for generating PnP nanostructures. Details of the graded temperature ALD chemical process for AI2O3 will be covered. Also, structural characterizations using SEM and optical interference will be used to quantify the degree of deposition and the thermal stability of these interesting structures. © The Electrochemical Society.

During this study, flow visualization through the use of imaging provided visual data of the events that occurred as the flame oscillated. Imaging was performed in two different ways: 1) the first method was phase-locked imaging to capture a detailed history by simply advancing the phase angle during each image capture, 2) the second method involved high-speed imaging to gather visual image data of a natural or forced oscillating flame. For visualization, two items were considered. The first one was the shape of the flame envelope as it evolved during one oscillation cycle. From the data gathered, it was confirmed that the flame stretched in the vertical direction before quenching in the region near its center. The second consideration was imaging of the oxidizer (air) in the region immediately outside the flame. This was done by imaging the laser light reflected from particles seeded into the flow, which revealed formation of vortical structures in those regions where quenching had occurred. It was noted that quenching took place primarily by the entrainment of fresh non-reacting air into the flame. The quenching process was in turn responsible for the oscillatory behavior. © 2009 The Visualization Society of Japan.

Combined experimental and numerical studies of the transient response of ignition to strained flows require a well-characterized ignition trigger. Laser deposition of a small radical pool provides a reliable method for initiating ignition of mixtures that are near the ignition limit. Two-dimensional direct numerical simulations are used to quantify the sensitivity of ignition kernel formation and subsequent edge-flame propagation to the oxidizer temperature and the initial width and amplitude of O-atom deposition used to trigger ignition in an axisymmetric counterflow of heated air versus ambient hydrogen/nitrogen. The ignition delay and super-equilibrium OH concentration in the nascent ignition kernel are highly sensitive to variations in these initial conditions. The ignition delay decreases as the amplitude of the initial O-atom deposition increases. The spatial distribution and the magnitude of the OH overshoot are governed by multi-dimensional effects. The degree of OH overshoot near the burner centerline increases as the diameter of the initial O-atom deposition region decreases. This result is attributed to preferential diffusion of hydrogen in the highly curved leading portion of the edge flame that is established following thermal runaway. The edge-flame speed and OH overshoot at the leading edge of the edge flame are relatively insensitive to variations in the initial conditions of the ignition. The steady edge-flame speed is approximately twice the corresponding laminar flame speed. The rate at which the edge flame approaches its steady state is insensitive to the initial conditions and depends solely on the diffusion time scale at the edge flame. The edge flame is curved toward the heated oxidizer stream as a result of differences in the chemical kinetics between the leading edge and the trailing diffusion flame. The structure of the highly diluted diffusion flame considered in this study corresponds to Liñán's 'premixed flame regime' in which only the oxidizer leaks through the reaction zone such that the flame is located at fuel lean rather than stoichiometric mixture fraction conditions.

Under extreme loading conditions most often the extent of material and structural fracture is pervasive in the sense that a multitude of cracks are nucleating, propagating in arbitrary directions, coalescing, and branching. Pervasive fracture is a highly nonlinear process involving complex material constitutive behavior, material softening, localization, surface generation, and ubiquitous contact. A pure Lagrangian computational method based on randomly close packed Voronoi tessellations is proposed as a rational and robust approach for simulating the pervasive fracture of materials and structures. Each Voronoi cell is formulated as a finite element using the Reproducing Kernel Method. Fracture surfaces are allowed to nucleate only at the intercell faces, and cohesive tractions are dynamically inserted. The randomly seeded Voronoi cells provide a regularized random network for representing fracture surfaces. Example problems are used to demonstrate the proposed numerical method. The primary numerical challenge for this class of problems is the demonstration of model objectivity and, in particular, the identification and demonstration of a measure of convergence for engineering quantities of interest. © 2009 Springer-Verlag.

The Design for Tractable Analysis (DTA) framework was developed to address the analysis of complex systems and so-called “wicked problems.” DTA is distinctive because it treats analytic processes as key artifacts that can be created and improved through formal design processes. Systems (or enterprises) are analyzed as a whole, in conjunction with decomposing them into constituent elements for domain-specific analyses that are informed by the whole. After using the Systems Modeling Language (SysML) to frame the problem in the context of stakeholder needs, DTA harnesses the Design Structure Matrix (DSM) to structure the analysis of the system and address questions about the emergent properties of the system. The novel use of DSM to “design the analysis” makes DTA particularly suitable for addressing the interdependent nature of complex systems. The use of DTA is demonstrated by a case study of sensor grid placement decisions to secure assets at a fixed site. © 2009, IGI Global. All rights reserved.

Diesel injection parameters effect on liquid-phase diesel spray penetration after the end-of-injection (EOI) is investigated in a constant-volume chamber over a range of ambient and injector conditions typical of a diesel engine. Our past work showed that the maximum liquid penetration length of a diesel spray may recede towards the injector after EOI at some conditions. Analysis employing a transient jet entrainment model showed that increased fuel-ambient mixing occurs during the fuel-injection-rate ramp-down as increased ambient-entrainment rates progress downstream (i.e. the entrainment wave), permitting complete fuel vaporization at distances closer to the injector than the quasi-steady liquid length. To clarify the liquid-length recession process, in this study we report Mie-scatter imaging results near EOI over a range of injection pressure, nozzle size, fuel type, and rate-of-injection shape. We then use a transient jet entrainment model for detailed analysis. Results show that an increased injection pressure correlates well with increasing liquid length recession due to an increased entrainment wave speed. Likewise, an increased nozzle size, with higher jet momentum and faster entrainment wave, enhances the liquid length recession. A low-density, high-volatility fuel does not decrease the strength of the entrainment wave; however, it decreases the steady liquid length causing the entrainment wave to reach the liquid spray tip earlier, which ultimately results in faster liquid length recession. A slow ramp down in injection rate causes a weaker entrainment wave so that the liquid length recession occurs even prior to injector close.

The mass-sensitive smart preconcentrator (SPC) consists of a Lorentz-Force-actuated MEMS resonator with an integral heater and surface coating for the collection of chemical analytes. Control circuitry is used to drive the SPC to resonance and measure its oscillation frequency. The frequency shift produced by adsorption of analyte on the SPC surface is inversely proportional to the mass of analyte collected. Thus, the SPC can measure when it has collected sufficient analyte for a downstream detection system. The limit of detection (LOD) of the SPC is less than 50 ppb for DMMP (dimethyl-methyl- phosphonate). At 1 ppm, less than 1 second collection of DMMP is sufficient to trigger analysis. An analytical model of operation of the SPC is used to predict the motion of the paddle and the shear modulus of silicon. © The Electrochemical Society.

The low-frequency meander of a trailing vortex shed from a tapered fin installed on a wind tunnel wall has been studied using stereoscopic particle image velocimetry in the near-wake at Mach 0.8. Distributions of the instantaneous vortex position reveal that the meander amplitude increases with downstream distance and decreases with vortex strength, indicating meander is induced external to the vortex. Trends with downstream distance suggest meander begins on the fin surface, prior to vortex shedding. Mean vortex properties are unaltered when considered in the meandering reference frame, apparently because turbulent fluctuations in the vortex shape and strength dominate positional variations. Conversely, a large peak of artificial turbulent kinetic energy is found centered in the vortex core, which almost entirely disappears when corrected for meander, though some turbulence remains near the core radius. Turbulence originating at the wind tunnel wall was shown to contribute to vortex meander by energizing the incoming boundary layer using low-profile vortex generators and observing a substantial increase in the meander amplitude while greater turbulent kinetic energy penetrates the vortex core. An explanatory mechanism has been hypothesized, in which the vortex initially forms at the apex of the swept leading edge of the fin where it is exposed to turbulent fluctuations within the wind tunnel wall boundary layer, introducing an instability into the incipient vortex core.

Effects of gas-phase collisions on active optical sensing and use of picosecond laser spectroscopy for their characterization are reviewed. Additionally, novel time-resolved approaches to reduce collisional sensitivity and to exploit species-dependent collision rates are discussed. © 2009 Optical Society of America.

The catalytic effect of nitric oxide (NO) on the dynamics of extinction and re-ignition of a vortex-perturbed non-premixed hydrogen-air flame is studied in a counterflow burner. A diffusion flame is established with counterflowing streams of nitrogen-diluted hydrogen at ambient temperature and air heated to a range of temperatures that brackets the auto-ignition temperature. Localized extinction is induced by impulsively driving a fuel-side toroidal vortex into the steady flame, and the recovery of the extinguished region is monitored by planar laser-induced fluorescence (PLIF) of the hydroxyl radical (OH). The dynamics of flame recovery depend on the air temperature and fuel concentration, and four different recovery modes are identified. These modes involve combinations of edge-flame propagation and the expansion of an auto-ignition kernel that forms within the extinguished region. The addition of a small amount of NO significantly alters the re-ignition process by shifting the balance between chain-termination and chain-propagation reactions to enhance auto-ignition. The ignition enhancement by this catalytic effect causes a shift in the conditions that govern the recovery modes. In addition, the effects of NO concentration and vortex strength on the flame recovery are examined. Direct numerical simulations of the flame-vortex interaction with and without NO doping show how the small amount of OH produced by NO-catalyzed reactions has a significant impact on the development of an auto-ignition kernel. This joint experimental and numerical study provides detailed insight into the interaction between transient flows and ignition processes.

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The authors establish a fundamental relationship between the phase and amplitude responses of an optomechanically variable photonic circuit and the forces and potentials produced by light. These results are illustrated through resonant and nonresonant multi-port systems.

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Using low-energy electron microscopy, we measure the diffusion of Pd into bulk Cu at the Cu(100) surface. Interdiffusion is tracked by measuring the dissolution of the Cu(100)-c(2 x 2)-Pd surface alloy during annealing (T > 240 C). The activation barrier for Pd diffusion from the surface alloy into the bulk is determined to be (1.8 {+-} 0.6) eV. During annealing, we observe the growth of a new layer of Cu near step edges. Under this new Cu layer, dilute Pd remaining near the surface develops a layered structure similar to the Cu{sub 3}Pd L 1{sub 2} bulk alloy phase.

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Research into the use of multiframe superresolution has led to the development of algorithms for providing images with enhanced resolution using several lower resolution copies. An integral component of these algorithms is the determination of the registration of each of the low resolution images to a reference image. Without this information, no resolution enhancement can be attained. We have endeavored to find a suitable method for registering severely undersampled images by comparing several approaches. To test the algorithms, an ideal image is input to a simulated image formation program, creating several undersampled images with known geometric transformations. The registration algorithms are then applied to the set of low resolution images and the estimated registration parameters compared to the actual values. This investigation is limited to monochromatic images (extension to color images is not difficult) and only considers global geometric transformations. Each registration approach will be reviewed and evaluated with respect to the accuracy of the estimated registration parameters as well as the computational complexity required. In addition, the effects of image content, specifically spatial frequency content, as well as the immunity of the registration algorithms to noise will be discussed.

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Pb-based ferroelectrics are useful because of their large dielectric constants, high polarization values, and strong piezoelectric coefficients, but typically require sintering temperatures >1200 C, which leads to loss of the volatile Pb cation and necessitates the use of Pt electrodes for cofired parts. Reduced sintering temperatures can minimize lead loss and enable the use of cheaper electrodes, but must not sacrifice electrical performance. A systematic study of dopants to lower the sintering temperature of PNSZT (Pb0.992 (Zr0.815 Ti0.05 Sn0.135)0.9845 Nb0.155 O3) led to densities greater than 98.5% of theoretical at temperatures as low as 1100 C with as little as 0.2 wt% of a Pb glass additive or as high as 98% at 900 C with Cu2O additions with equivalent electrical properties to undoped materials.

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A standard and widespread approach to part-of-speech tagging is based on Hidden Markov Models (HMMs). An alternative approach, pioneered by Schütze (1993), induces parts of speech from scratch using singular value decomposition (SVD). We introduce DEDICOM as an alternative to SVD for part-of-speech induction. DEDICOM retains the advantages of SVD in that it is completely unsupervised: no prior knowledge is required to induce either the tagset or the associations of types with tags. However, unlike SVD, it is also fully compatible with the HMM framework, in that it can be used to estimate emission- and transition-probability matrices which can then be used as the input for an HMM. We apply the DEDICOM method to the CONLL corpus (CONLL 2000) and compare the output of DEDICOM to the part-of-speech tags given in the corpus, and find that the correlation (almost 0.5) is quite high. Using DEDICOM, we also estimate part-of-speech ambiguity for each type, and find that these estimates correlate highly with part-of-speech ambiguity as measured in the original corpus (around 0.88). Finally, we show how the output of DEDICOM can be evaluated and compared against the more familiar output of supervised HMM-based tagging.

Dispersion and attenuation relations are derived for both the continuous and discrete velocity-memory-stress systems governing 3D anelastic wave propagation in a standard linear solid. Phase speed and attenuation factor curves extracted from these relations enable optimal selection of spatial and temporal gridding intervals to achieve finite-difference algorithm efficiency, while simultaneously minimizing numerical inaccuracy.

Cationic polymer membranes that conduct free anions comprise an enabling research area for alkaline membrane fuel cells and other solid-state electrochemical devices that operate at high pH. The synthesis of anion exchange membranes based on a poly(phenylene) backbone prepared by a Diels-Alder reaction is demonstrated as a potential material for alkaline fuel cells. The poly(phenylene)s have benzylic methyl groups that are converted to bromomethyl groups by a radical reaction. Cationic polymers result from conversion of the bromomethyl groups to ionic moieties by quaternization with trimethylamine in the solid state. The conversion to benzyltrimethyl ammonium groups is incomplete as evidenced by the differences between the IEC values measured by titration and the theoretical IECs based on 1H NMR measurements. The anion exchange membranes formed from these polymers have hydroxide ion conductivities as high as 50 mS/cm in liquid water and they are stable under highly basic conditions at elevated temperatures. ©The Electrochemical Society.