Publications

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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.