Publications

Abstract not provided.

As part of its EMS, Sandia performs an annual environmental aspects/impacts analysis. The purpose of this analysis is to identify the environmental aspects associated with Sandia's activities, products, and services and the potential environmental impacts associated with those aspects. Division and environmental programs established objectives and targets based on the environmental aspects associated with their operations. In 2007 the most significant aspect identified was Hazardous Materials (Use and Storage). The objective for Hazardous Materials (Use and Storage) was to improve chemical handling, storage, and on-site movement of hazardous materials. One of the targets supporting this objective was to develop an effective chemical exchange program, making a business case for it in FY07, and fully implementing a comprehensive chemical exchange program in FY08. A Chemical Exchange Program (CEP) team was formed to implement this target. The team consists of representatives from the Chemical Information System (CIS), Pollution Prevention (P2), the HWMF, Procurement and the Environmental Management System (EMS). The CEP Team performed benchmarking and conducted a life-cycle analysis of the current management of chemicals at SNL/NM and compared it to Chemical Exchange alternatives. Those alternatives are as follows: (1) Revive the 'Virtual' Chemical Exchange Program; (2) Re-implement a 'Physical' Chemical Exchange Program using a Chemical Information System; and (3) Transition to a Chemical Management Services System. The analysis and benchmarking study shows that the present management of chemicals at SNL/NM is significantly disjointed and a life-cycle or 'Cradle-to-Grave' approach to chemical management is needed. This approach must consider the purchasing and maintenance costs as well as the cost of ultimate disposal of the chemicals and materials. A chemical exchange is needed as a mechanism to re-apply chemicals on site. This will not only reduce the quantity of unneeded chemicals and the amount spent on new purchases, but will also avoid disposal costs. If SNL/NM were to realize a 5 percent reduction in chemical inventory and a 10 percent reduction in disposal of unused chemicals the total savings would be $189, 200 per year.

This report documents the key safety and operational aspects of a Z-pinch Externally Driven Nuclear Assembly (ZEDNA) reactor concept which is envisioned to be built and operated at the Z-machine facility in Technical Area IV. Operating parameters and reactor neutronic conditions are established that would meet the design requirements of the system. Accident and off-normal conditions are analyzed using a point-kinetics, one-dimensional thermo-mechanical code developed specifically for ZEDNA applications. Downwind dose calculations are presented to determine the potential dose to the collocated worker and public in the event of a hypothetical catastrophic accident. Current and magnetic impulse modeling and the debris shield design are examined for the interface between the Z machine and the ZEDNA. This work was performed as part of the Advanced Fusion Grand Challenge Laboratory Directed Research and Development Program. The conclusion of this work is that the ZEDNA concept is feasible and could be operated at the Z-machine facility without undue risk to collocated workers and the public.

Platinum-based electrocatalysts are currently required for state-of-the-art fuel cells and represent a significant portion of the overall fuel cell cost. If fuel cell technology is to become competitive with other energy conversion technologies, improve the utilization of precious metal catalysts is essential. A primary focus of this work is on creating enhanced nanostructured materials which improve precious-metal utilization. The goal is to engineer superior electrocatalytic materials through the synthesis, development and investigation of novel templated open frame structures synthesized in an aerosol-based approach. Bulk templating methods for both Pt/C and Pt-Ru composites are evaluated in this study and are found to be limited due to the fact that the nanostructure is not maintained throughout the entire sample. Therefore, an accurate examination of structural effects was previously impossible. An aerosol-based templating method of synthesizing nanostructured Pt-Ru electrocatalysts has been developed wherein the effects of structure can be related to electrocatalytic performance. The aerosol-based templating method developed in this work is extremely versatile as it can be conveniently modified to synthesize alternative materials for other systems. The synthesis method was able to be extended to nanostructured Pt-Sn for ethanol oxidation in alkaline media. Nanostructured Pt-Sn electrocatalysts were evaluated in a unique approach tailored to electrocatalytic studies in alkaline media. At low temperatures, nanostructured Pt-Sn electrocatalysts were found to have significantly higher ethanol oxidation activity than a comparable nanostructured Pt catalyst. At higher temperatures, the oxygen-containing species contribution likely provided by Sn is insignificant due to a more oxidized Pt surface. The importance of the surface coverage of oxygen-containing species in the reaction mechanism is established in these studies. The investigations in this work present original studies of anion exchange ionomers as entrapment materials for rotating disc electrode (RDE) studies in alkaline media. Their significance is linked to the development of membrane electrode assemblies (MEAs) with the same ionomer for a KOH-free alkaline fuel cell (AFC).

The structural and vibrational properties of two uncharged 2:1 phyllosilicates, talc and pyrophyllite, are investigated via ab initio and classical molecular dynamics simulations. The quantum mechanical simulations are based on plane-wave pseudopotential density functional theory (DFT), which is shown to be sufficiently accurate in predicting the clay mineral structural and vibrational properties. The classical molecular dynamics (MD) simulations, using the CLAYFF force field, faithfully reproduce the crystal structures with relatively simple analytical functions that include primarily nonbonded interactions. The adsorption properties in these clay minerals are strongly dependent upon the disposition of the hydroxyl group in the octahedral sheet. With the assistance of molecular simulation, the relationship between the hydroxyl group vibrational modes and the molecular-scale structure is explored. The talc hydroxyl groups are oriented perpendicular to the ab plane, while the presence of the dioctahedral vacancies associated with pyrophyllite significantly alters the hydroxyl group structural and vibrational character. Overall, a detailed comparison between the ab initio and the classical MD structural and vibrational properties provides guidance for future refinements to the empirical force field. © 2007 American Chemical Society.

The antenna element in a GPS receiver is a source of positional errors that need to be accounted for in moderate-to-high precision GPS systems. In this paper the phase and group delays are calculated for common circularly-polarized (CP) microstrip (patch) antenna designs. The phase and group delays are calculated using a theoretical cavity model as well as an accurate finiteelement electromagnetic simulator (Ansoft HFSS). Results for right-handed circular polarization (RHCP) antennas fed in two different ways are explored: an orthogonal-feed antenna and a diagonal-feed antenna. All results are for operation at the Ll frequency (1.575 GHz). It is shown that the group delay is much larger than the phase delay, due to the high-Q nature of the patch antenna (low bandwidth). Of particular interest is the variation of the phase and group delays with observation angles, since this translates into delays that will be different for each satellite signal, and hence directly corresponds to a positional error.

Flow cytometry is an indispensable tool in clinical diagnostics, for example in cancer, AIDS, infectious disease outbreaks, microbiology, and others. The cost and size of existing cytometers precludes their entry into field clinics, water monitoring, agriculture/veterinary diagnostics, and rapidly deployable biothreat detection. Much of the cost and footprint of conventional cytometers is dictated by the high speed achieved by cells or beads in a hydrodynamically focused stream. This constraint is removed by using ultrasonic focusing in a parallel microfluidic architecture. In this paper, we describe our progress towards a microfabricated flow cytometer that uses bulk and microfabricated planar piezoelectric transducers in glass microfluidic channels. In addition to experimental data, initial modeling data to predict the performance of our transducers are discussed.

Here, wide-angle X-ray scattering, molecular dynamics (MD) simulations, and integral equation theory are used to study the structure of poly(diethylsiloxane) (PDES), poly(ethylmethylsiloxane) (PEMS), and poly(dimethylsiloxane) (PDMS) melts. The structure functions of PDES, PEMS, and PDMS are similar, but systematic trends in the intermolecular packing are observed. The local intramolecular structure is extracted from the experimental structure functions. The bond distances and bond angles obtained, including the large Si-O-Si angle, are in good agreement with the explicit atom (EA) and united atom (UA) potentials used in the simulations and theory and from other sources. Very good agreement is found between the MD simulations using the EA potentials and the experimental scattering results. Good agreement is also found between the polymer reference interaction site model (PRISM theory) and the UA MD simulations. The intermolecular structure is examined experimentally using an appropriately weighted radial distribution function and with theory and simulation using intermolecular site/site pair correlation functions. Finally, experiment, simulation, and theory show systematic increases in the chain/chain packing distances in the siloxanes as the number of sites in the pendant side chains is increased.

Generation and effects of atmospherically propagated electromagnetic pulses (EMPs) initiated by photoelectrons ejected by the high density and temperature target surface plasmas from multiterawatt laser pulses are analyzed. These laser radiation pulse interactions can significantly increase noise levels, thereby obscuring data (sometimes totally) and may even damage sensitive probe and detection instrumentation. Noise effects from high energy density (approximately multiterawatt) laser pulses (~300–400 ps pulse widths) interacting with thick (~1 mm) metallic and dielectric solid targets and dielectric–metallic powder mixtures are interpreted as transient resonance radiation associated with surface charge fluctuations on the target chamber that functions as a radiating antenna. Effective solutions that minimize atmospheric EMP effects on internal and proximate electronic and electro-optical equipment external to the system based on systematic measurements using Moebius loop antennas, interpretations of signal periodicities, and dissipation indicators determining transient noise origin characteristics from target emissions are described. Analytic models for the effect of target chamber resonances and associated noise current and temperature in a probe diode laser are described.

The production of OH and HO2 in Cl-initiated oxidation of cyclohexane has been measured using pulsed-laser photolytic initiation and continuous-laser absorption detection. The experimental data are modeled by master equation calculations that employ new G2(MP2)-like ab initio characterizations of important stationary points on the cyclo-C 6H11O2 surface. These ab initio calculations are a substantial expansion on previously published characterizations, including explicit consideration of conformational changes (chair-boat, axial-equatorial) and torsional potentials. The rate constants for the decomposition and ring-opening of cyclohexyl radical are also computed with ab initio based transition state theory calculations. Comparison of kinetic simulations based on the master equation results with the present experimental data and with literature determinations of branching fractions suggests adjustment of several transition state energies below their ab initio values. Simulations with the adjusted values agree well with the body of experimental data. The results once again emphasize the importance of both direct and indirect components of the kinetics for the production of both HO2 and OH in radical + O 2 reactions. © the Owner Societies.

A robust analysis method is presented for multiple-phase heterodyne velocimetry measurements. By combining information from three phase-shifted signals, it is possible to eliminate coherent intensity variations and incoherent light from the measurement. The three data signals are reduced to a pair of quadrature signals, allowing unambiguous calculation of target displacement. The analysis relies on a minimum number of adjustable parameters, and these parameters can be precisely determined from simple interferometer characterization. © 2007 American Institute of Physics.

In particle-based plasma simulation, when dealing with source terms such as ionization, emission from boundaries, etc., the total number of particles can grow, at times, exponentially. Additionally, problems involving the spatial expansion of dynamic plasmas can result in statistical under representation of particle distributions in critical regions. Furthermore, when considering code optimization for massively parallel operation, it is useful to maintain a uniform number of particles per cell. Accordingly, we have developed an algorithm for coalescing or fissioning particles on 2D and 3D orthogonal grids that is based on a method of Assous et al. [F. Assous, T. Pougeard Dulimbert, J. Segre, J. Comput. Phys. 187 (2003) 550]. Here, we present the algorithm and describe in detail its application to particle-in-cell simulations of gas ionization/streamer formation and dynamic, expanding plasmas.

Today's need for rapid software development has generated a great interest in employing Commercial-Off-The-Shelf (COTS) software products as a way of managing cost, developing time, and effort. With an abundance of COTS software packages to choose from, the problem now is how to systematically evaluate, rank, and select a COTS product that best meets the software project requirements and at the same time can leverage off the current corporate information technology architectural environment. This paper describes a systematic process for decision support in evaluating and ranking COTS software. Performed right after the requirement analysis phase, this process provides the evaluators with more concise, structural, and step-by-step activities for determining the best COTS software product with manageable risk. In addition, the process is presented in phases that are flexible to allow for customization or tailoring to meet various projects ' requirements. © 2007 IEEE.

The Sandia National Laboratories' developed Combined Lifecycle (CMBL) distribution provides an application friendly method for characterizing a component's failure or lifecycle distribution. This paper explores methods for updating the CMBL distribution as new data become available. The initial results obtained in applying Method 1, a Bayesian sequential updating methodology, to the CMBL distribution shows some promise. However, additional research is needed for the updating process involved with the random portion of the curve. Future evaluation of Methods 2 and 3 should also provide greater flexibility in the use of the CMBL distribution and with some generalizing modifications, should apply to other sectional time-to-failure (TTF) failure models. The method developed in this effort for updating the CMBL distribution and other TTF distributions, should be valuable in enhancing maintenance planning and real-time situational awareness processes. This method, used in enterprise level and prognostics and health management (PHM) modeling, should more accurately help provide instant feedback on the current status of equipment; provide tactical assessment of the readiness of equipment for the next campaign; identify parts, services, etc. that are likely to be required during the next campaign; provide a realistic basis for scheduling and optimizing equipment maintenance schedules; and help ensure that the useful life of expensive components is maximized while reducing the incidence of unplanned maintenance. © 2007 IEEE.

Plasma spectroscopy requires determination of spectral line intensities and widths. At Sandia National Laboratories Z facility we use elliptical crystal spectrometers equipped with gated microchannel plate detectors to record time and space resolved spectra. We collect a large volume of data typically consisting of five to six snapshots in time and five to ten spectral lines with 30 spatial elements per frame, totaling to more than 900 measurements per experiment. This large volume of data requires efficiency in processing. We have addressed this challenge by using a line fitting routine to automatically fit each spectrum using assumed line profiles and taking into account photoelectron statistics to efficiently extract line intensities and widths with uncertainties. We verified that the random data noise obeys Poisson statistics. Rescale factors for converting film exposure to effective counts required for understanding the photoelectron statistics are presented. An example of the application of these results to the analysis of spectra recorded in Z experiments is presented. © 2007 American Institute of Physics.

Analysis of the Raman Stokes peak position and its shift has been frequently used to estimate either temperature or stress in microelectronics and microelectromechanical system devices. However, if both fields are evolving simultaneously, the Stokes shift represents a convolution of these effects, making it difficult to measure either quantity accurately. By using the relative independence of the Stokes linewidth to applied stress, it is possible to deconvolve the signal into an estimation of both temperature and stress. Using this property, a method is presented whereby the temperature and stress were simultaneously measured in doped polysilicon microheaters. A data collection and analysis method was developed to reduce the uncertainty in the measured stresses resulting in an accuracy of ±40 MPa for an average applied stress of -325 MPa and temperature of 520 °C. Measurement results were compared to three-dimensional finite-element analysis of the microheaters and were shown to be in excellent agreement. This analysis shows that Raman spectroscopy has the potential to measure both evolving temperature and stress fields in devices using a single optical measurement. © 2007 American Institute of Physics.

This report describes a model Transport Processes Investigation (TPI) where field-scale vadose zone flow and transport processes are identified and verified through a systematic field investigation at a contaminated DOE site. The objective of the TPI is to help with formulating accurate conceptual models and aid in implementing rational and cost effective site specific characterization strategies at contaminated sites with diverse hydrogeologic settings. Central to the TPI are Transport Processes Characterization (TPC) tests that incorporate field surveys and large-scale infiltration experiments. Hypotheses are formulated based on observed pedogenic and hydrogeologic features as well as information provided by literature searches. The field and literature information is then used to optimize the design of one or more infiltration experiments to field test the hypothesis. Findings from the field surveys and infiltration experiments are then synthesized to formulate accurate flow and transport conceptual models. Here we document a TPI implemented in the glacial till vadose zone at the Fernald Environmental Management Project (FEMP) in Fernald, Ohio, a US Department of Energy (DOE) uranium processing site. As a result of this TPI, the flow and transport mechanisms were identified through visualization of dye stain within extensive macro pore and fracture networks which provided the means for the infiltrate to bypass potential aquatards. Such mechanisms are not addressed in current vadose zone modeling and are generally missed by classical characterization methods.

An infiltration and dye transport experiment was conducted to visualize flow and transport processes in a heterogeneous, layered, sandy-gravelly fluvial deposit adjacent to Rio Bravo Boulevard in Albuquerque, NM. Water containing red dye followed by blue-green dye was ponded in a small horizontal zone ({approx}0.5 m x 0.5 m) above a vertical outcrop ({approx}4 m x 2.5 m). The red dye lagged behind the wetting front due to slight adsorption thus allowing both the wetting front and dye fronts to be observed in time at the outcrop face. After infiltration, vertical slices were excavated to the midpoint of the infiltrometer exposing the wetting front and dye distribution in a quasi three-dimensional manner. At small-scale, wetting front advancement was influenced by the multitude of local capillary barriers within the deposit. However at the scale of the experiment, the wetting front appeared smooth with significant lateral spreading {approx} twice that in the vertical, indicating a strong anisotropy due to the pronounced horizontal layering. The dye fronts exhibited appreciably more irregularity than the wetting front, as well as the influence of preferential flow features (a fracture) that moved the dye directly to the front, bypassing the fresh water between.

Two water-cooled mockups with CuCrZr heat sinks and plasma sprayed beryllium (PS Be) armor, 5 and 10 mm thick respectively, were fabricated at Los Alamos National Laboratory and thermally cycled at Sandia at 1 and 2 MW/m2. The castellated surface of the CuCrZr mechanically locked the armor. The resulting PS Be morphology controlled cracking during thermal cycling. Post test examinations showed transverse cracks perpendicular to the surface of the armor that would relieve thermal stresses but not degrade heat transfer. The mockups and two others previously produced for the European Fusion Development Agreement had somewhat porous armor, with a thermal conductivity estimated to be about 1/4 that of fully dense beryllium, due to the low (600-650 °C) substrate temperature during deposition specifically requested by EFDA to avoid subsequent heat treating of CuCrZr. Some melting of the armor was expected and observed in the tests. © 2007 Elsevier B.V. All rights reserved.

Measurements were performed to characterize the dimensional and radiative properties of large-scale, vertical hydrogen-jet flames. This data is relevant to the safety scenario of a sudden leak in a high-pressure hydrogen containment vessel and will provide a technological basis for determining hazardous length scales associated with unintended hydrogen releases at storage and distribution centers. Jet flames originating from high-pressure sources up to 413 bar (6000 psi) were studied to verify the application of correlations and scaling laws based on lower-pressure subsonic and choked-flow jet flames. These higher pressures are expected to be typical of the pressure ranges in future hydrogen storage vessels. At these pressures the flows exiting the jet nozzle are categorized as underexpanded jets in which the flow is choked at the jet exit. Additionally, the gas behavior departs from that of an ideal-gas and alternate formulations for non-ideal gas must be introduced. Visible flame emission was recorded on video to evaluate flame length and structure. Radiometer measurements allowed determination of the radiant heat flux characteristics. The flame length results show that lower-pressure engineering correlations, based on the Froude number and a non-dimensional flame length, also apply to releases up to 413 bar (6000 psi). Similarly, radiative heat flux characteristics of these high-pressure jet flames obey scaling laws developed for low-pressure, smaller-scale flames and a wide variety of fuels. The results verify that such correlations can be used to a priori predict dimensional characteristics and radiative heat flux from a wide variety of hydrogen-jet flames resulting from accidental releases.

We irradiated floating gate (FG) memories with NOR and NAND architecture by using different TID sources, including 2 MeV, 98 MeV, and 105 MeV protons, X-rays, and γ-rays. Two classes of phenomena are responsible for charge loss from programmed FGs: the first is charge generation, recombination, and transport in the dielectrics, while the second is the emission of electrons above the oxide band. Charge loss from programmed FGs irradiated with protons of different energy closely tracks results from γ-rays, whereas the use of X-rays results in dose enhancement effects. © 2007 IEEE.

The ideal photon source for active interrogation of fissile materials would use monoenergetic photons to minimize radiation dose to surroundings. The photon energy would be high enough to produce relatively large photofission signals, but below the photoneutron threshold for common cargo materials in order to reduce background levels. To develop such a source, we are investigating the use of low-energy, proton-induced nuclear reactions to generate monochromatic, MeV-energy gamma-rays. Of particular interest are the nuclear resonances at 163 keV for the 11B(p,γ)12C reaction producing 11.7 MeV gamma-rays, 340 keV for the 19F(p,αγ)16O reaction producing 6.13 MeV photons, and 441 keV for the 7Li(p,γ)8Be reaction producing 14.8 and 17.7 MeV photons. A 700 keV Van de Graaff ion accelerator was used to test several potential (p,γ) materials and the gamma-ray yields from these targets were measured with a 5″ × 5″ NaI detector. A pulsed proton beam from the accelerator was used to induce prompt (neutron) and delayed (neutron and gamma-ray) photofission signals in uranium which were measured with 3He and NaI detectors. We show that the accelerator data is in good agreement with Monte Carlo radiation transport calculations and published results.

Obtaining particulate compositional maps from scanned PIXE (proton-induced X-ray emission) measurements is extremely difficult due to the complexity of analyzing spectroscopic data collected with low signal-to-noise at each scan point (pixel). Multivariate spectral analysis has the potential to analyze such data sets by reducing the PIXE data to a limited number of physically realizable and easily interpretable components (that include both spectral and image information). We have adapted the AXSIA (automated expert spectral image analysis) program, originally developed by Sandia National Laboratories to quantify electron-excited X-ray spectroscopy data, for this purpose. Samples consisting of particulates with known compositions and sizes were loaded onto Mylar and paper filter substrates and analyzed by scanned micro-PIXE. The data sets were processed by AXSIA and the associated principal component spectral data were quantified by converting the weighting images into concentration maps. The results indicate automated, nonbiased, multivariate statistical analysis is useful for converting very large amounts of data into a smaller, more manageable number of compositional components needed for locating individual particles-of-interest on large area collection media.

This report addresses the development of automated video-screening technology to assist security forces in protecting our homeland against terrorist threats. A prevailing threat is the covert placement of bombs inside crowded public facilities. Although video-surveillance systems are increasingly common, current systems cannot detect the placement of bombs. It is also unlikely that security personnel could detect a bomb or its placement by observing video from surveillance cameras. The problems lie in the large number of cameras required to monitor large areas, the limited number of security personnel employed to protect these areas, and the intense diligence required to effectively screen live video from even a single camera. Different from existing video-detection systems designed to operate in nearly static environments, we are developing technology to detect changes in the background of dynamic environments: environments where motion and human activities are persistent over long periods. Our goal is to quickly detect background changes, even if the background is visible to the camera less than 5 percent of the time and possibly never free from foreground activity. Our approach employs statistical scene models based on mixture densities. We hypothesized that the background component of the mixture has a small variance compared to foreground components. Experiments demonstrate this hypothesis is true under a wide variety of operating conditions. A major focus involved the development of robust background estimation techniques that exploit this property. We desire estimation algorithms that can rapidly produce accurate background estimates and detection algorithms that can reliably detect background changes with minimal nuisance alarms. Another goal is to recognize unusual activities or foreground conditions that could signal an attack (e.g., large numbers of running people, people falling to the floor, etc.). Detection of background changes and/or unusual foreground activity can be used to alert security forces to the presence and location of potential threats. The results of this research are summarized in several MS Power-point slides included with this report.

Hydroxy-terminated polybutadiene/isophorone diisocyanate (HTPB/IPDI) polyurethane rubber which was aged in air at elevated temperatures has been studied by infrared microspectroscopy. Spectra were collected in transmission mode on microtomed samples. Analysis of sets of spectra taken across the sectioned material showed that most of the degradation occurred in the polybutadiene part of the polymer and that the urethane linkage was essentially unchanged. The trans isomer of the polybutadiene appears to be preferentially degraded compared with the vinyl isomer. The IR technique does not provide significant information about the cis isomer. The IR spectra indicated that likely degradation products included acids, esters, alcohols, and small amounts of other products containing a carbonyl functional group. Band area ratios, supported by a principal components analysis, were used to derive degradation profiles for the material. These profiles were steep-sided indicating an oxygen diffusion limited process. © 2007 Elsevier Ltd. All rights reserved.