Publications

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Sandia National Laboratories (SNL) participated in a Pilot Study to examine the process and requirements to create a software system to assess the extremely low probability of pipe rupture (xLPR) in nuclear power plants. This project was tasked to develop a prototype xLPR model leveraging existing fracture mechanics models and codes coupled with a commercial software framework to determine the framework, model, and architecture requirements appropriate for building a modular-based code. The xLPR pilot study was conducted to demonstrate the feasibility of the proposed developmental process and framework for a probabilistic code to address degradation mechanisms in piping system safety assessments. The pilot study includes a demonstration problem to assess the probability of rupture of DM pressurizer surge nozzle welds degraded by primary water stress-corrosion cracking (PWSCC). The pilot study was designed to define and develop the framework and model; then construct a prototype software system based on the proposed model. The second phase of the project will be a longer term program and code development effort focusing on the generic, primary piping integrity issues (xLPR code). The results and recommendations presented in this report will be used to help the U.S. Nuclear Regulatory Commission (NRC) define the requirements for the longer term program.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

The risk assessment approach has been applied to support numerous radioactive waste management activities over the last 30 years. A risk assessment methodology provides a solid and readily adaptable framework for evaluating the risks of CO2 sequestration in geologic formations to prioritize research, data collection, and monitoring schemes. This paper reviews the tasks of a risk assessment, and provides a few examples related to each task. This paper then describes an application of sensitivity analysis to identify important parameters to reduce the uncertainty in the performance of a geologic repository for radioactive waste repository, which because of importance of the geologic barrier, is similar to CO2 sequestration. The paper ends with a simple stochastic analysis of idealized CO2 sequestration site with a leaking abandoned well and a set of monitoring wells in an aquifer above the CO2 sequestration unit in order to evaluate the efficacy of monitoring wells to detect adverse leakage.

Ranking search results is a thorny issue for enterprise search. Search engines rank results using a variety of sophisticated algorithms, but users still complain that search can't ever seem to find anything useful or relevant! The challenge is to provide results that are ranked according to the users' definition of relevancy. Sandia National Laboratories has enhanced its commercial search engine to discover user preferences, re-ranking results accordingly. Immediate positive impact was achieved by modeling historical data consisting of user queries and subsequent result clicks. New data is incorporated into the model daily. An important benefit is that results improve naturally and automatically over time as a function of user actions. This session presents the method employed, how it was integrated with the search engine,metrics illustrating the subsequent improvement to the users' search experience, and plans for implementation with Sandia's FAST for SharePoint 2010 search engine.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Complex metal hydrides continue to be investigated as solid-materials for hydrogen storage. Traditional interstitial metal hydrides offer favorable thermodynamics and kinetics for hydrogen release but do not meet energy density requires. Anionic metal hydrides, and complex metal hydrides like magnesium borohydride have higher energy densities compared to interstitial metal hydrides, but poor kinetics and/or thermodynamically unfavorable side products limit their deployment as hydrogen storage materials in transportation applications. Main-group anionic materials such as the bis(borane)hypophosphite salt [PH2(BH3)2] have been known for decades, but only recently have we begun to explore their ability to release hydrogen. We have developed a new procedure for synthesizing the lithium and sodium hypophosphite salts. Routes for accessing other metal bis(borane)hypophosphite salts will be discussed. A significant advantage of this class of material is the air and water stability of the anion. Compared to metal borohydrides, which reactive violently with water, these phosphorus-based salts can be dissolved in protic solvents, including water, with little to no decomposition over the course of multiple days. The ability of these salts to release hydrogen upon heating has been assessed. While preliminary results indicate phosphine and boron-containing species are released, hydrogen is also a major component of the volatile species observed during the thermal decomposition. Additives such as NaH or KH mixed with the sodium salt Na[PH2(BH3)2] significantly perturb the decomposition reaction and greatly increase the mass loss as determined by thermal gravimetric analysis (TGA). This symbiotic behavior has the potential to affect the hydrogen storage ability of bis(borane)hypophosphite salts.

A design concept, device layout, and monolithic microfabrication processing sequence have been developed for a dual-metal layer atom chip for next-generation positional control of ultracold ensembles of trapped atoms. Atom chips are intriguing systems for precision metrology and quantum information that use ultracold atoms on microfabricated chips. Using magnetic fields generated by current carrying wires, atoms are confined via the Zeeman effect and controllably positioned near optical resonators. Current state-of-the-art atom chips are single-layer or hybrid-integrated multilayer devices with limited flexibility and repeatability. An attractive feature of multi-level metallization is the ability to construct more complicated conductor patterns and thereby realize the complex magnetic potentials necessary for the more precise spatial and temporal control of atoms that is required. Here, we have designed a true, monolithically integrated, planarized, multi-metal-layer atom chip for demonstrating crossed-wire conductor patterns that trap and controllably transport atoms across the chip surface to targets of interest.

Climate models have a large number of inputs and outputs. In addition, diverse parameters sets can match observations similarly well. These factors make calibrating the models difficult. But as the Earth enters a new climate regime, parameters sets may cease to match observations. History matching is necessary but not sufficient for good predictions. We seek a 'Pareto optimal' ensemble of calibrated parameter sets for the CCSM climate model, in which no individual criteria can be improved without worsening another. One Multi Objective Genetic Algorithm (MOGA) optimization typically requires thousands of simulations but produces an ensemble of Pareto optimal solutions. Our simulation budget of 500-1000 runs allows us to perform the MOGA optimization once, but with far fewer evaluations than normal. We devised an analytic test problem to aid in the selection MOGA settings. The test problem's Pareto set is the surface of a 6 dimensional hypersphere with radius 1 centered at the origin, or rather the portion of it in the [0,1] octant. We also explore starting MOGA from a space-filling Latin Hypercube sample design, specifically Binning Optimal Symmetric Latin Hypercube Sampling (BOSLHS), instead of Monte Carlo (MC). We compare the Pareto sets based on: their number of points, N, larger is better; their RMS distance, d, to the ensemble's center, 0.5553 is optimal; their average radius, {mu}(r), 1 is optimal; their radius standard deviation, {sigma}(r), 0 is optimal. The estimated distributions for these metrics when starting from MC and BOSLHS are shown in Figs. 1 and 2.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Disposal of high-level radioactive waste, including spent nuclear fuel, in deep (3 to 5 km) boreholes is a potential option for safely isolating these wastes from the surface and near-surface environment. Existing drilling technology permits reliable and cost-effective construction of such deep boreholes. Conditions favorable for deep borehole disposal in crystalline basement rocks, including low permeability, high salinity, and geochemically reducing conditions, exist at depth in many locations, particularly in geologically stable continental regions. Isolation of waste depends, in part, on the effectiveness of borehole seals and potential alteration of permeability in the disturbed host rock surrounding the borehole. Coupled thermal-mechanical-hydrologic processes induced by heat from the radioactive waste may impact the disturbed zone near the borehole and borehole wall stability. Numerical simulations of the coupled thermal-mechanical response in the host rock surrounding the borehole were conducted with three software codes or combinations of software codes. Software codes used in the simulations were FEHM, JAS3D, Aria, and Adagio. Simulations were conducted for disposal of spent nuclear fuel assemblies and for the higher heat output of vitrified waste from the reprocessing of fuel. Simulations were also conducted for both isotropic and anisotropic ambient horizontal stress in the host rock. Physical, thermal, and mechanical properties representative of granite host rock at a depth of 4 km were used in the models. Simulation results indicate peak temperature increases at the borehole wall of about 30 C and 180 C for disposal of fuel assemblies and vitrified waste, respectively. Peak temperatures near the borehole occur within about 10 years and decline rapidly within a few hundred years and with distance. The host rock near the borehole is placed under additional compression. Peak mechanical stress is increased by about 15 MPa (above the assumed ambient isotropic stress of 100 MPa) at the borehole wall for the disposal of fuel assemblies and by about 90 MPa for vitrified waste. Simulated peak volumetric strain at the borehole wall is about 420 and 2600 microstrain for the disposal of fuel assemblies and vitrified waste, respectively. Stress and volumetric strain decline rapidly with distance from the borehole and with time. Simulated peak stress at and parallel to the borehole wall for the disposal of vitrified waste with anisotropic ambient horizontal stress is about 440 MPa, which likely exceeds the compressive strength of granite if unconfined by fluid pressure within the borehole. The relatively small simulated displacements and volumetric strain near the borehole suggest that software codes using a nondeforming grid provide an adequate approximation of mechanical deformation in the coupled thermal-mechanical model. Additional modeling is planned to incorporate the effects of hydrologic processes coupled to thermal transport and mechanical deformation in the host rock near the heated borehole.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

The controlled self-assembly of polymer thin-films into ordered domains has attracted significant academic and industrial interest. Most work has focused on controlling domain size and morphology through modification of the polymer block-lengths, n, and the Flory-Huggins interaction parameter, {chi}. Models, such as Self-Consistent Field Theory (SCFT), have been successful in describing the experimentally observed morphology of phase-separated polymers. We have developed a computational method which uses SCFT calculations as a predictive tool in order to guide our polymer synthesis. Armed with this capability, we have the ability to select {chi} and then search for an ideal value of n such that a desired morphology is the most thermodynamically favorable. This approach enables us to synthesize new block-polymers with the exactly segment lengths that will undergo self-assembly to the desired morphology. As proof-of-principle we have used our model to predict the gyroidal domain for various block lengths using a fixed {chi} value. To validate our computational model, we have synthesized a series of block-copolymers in which only the total molecular length changes. All of these materials have a predicted thermodynamically favorable gyroidal morphology based on the results of our SCFT calculations. Thin-films of these polymers are cast and annealed in order to equilibrate the structure. Final characterization of the polymer thin-film morphology has been performed. The accuracy of our calculations compared to experimental results is discussed. Extension of this predictive ability to tri-block polymer systems and the implications to making functionalizable nanoporous membranes will be discussed.

This presentation discusses the following questions: (1) What are the Global Problems that require Systems Engineering; (2) Where is Systems Engineering going; (3) What are the boundaries of Systems Engineering; (4) What is the distinction between Systems Thinking and Systems Engineering; (5) Can we use Systems Engineering on Complex Systems; and (6) Can we use Systems Engineering on Wicked Problems?

Abstract not provided.

The area of wind turbine component manufacturing represents a business opportunity in the wind energy industry. Modern wind turbines can provide large amounts of electricity, cleanly and reliably, at prices competitive with any other new electricity source. Over the next twenty years, the US market for wind power is expected to continue to grow, as is the domestic content of installed turbines, driving demand for American-made components. Between 2005 and 2009, components manufactured domestically grew eight-fold to reach 50 percent of the value of new wind turbines installed in the U.S. in 2009. While that growth is impressive, the industry expects domestic content to continue to grow, creating new opportunities for suppliers. In addition, ever-growing wind power markets around the world provide opportunities for new export markets.

The increasing demand for natural gas could increase the number and frequency of Liquefied Natural Gas (LNG) tanker deliveries to ports across the United States. Because of the increasing number of shipments and the number of possible new facilities, concerns about the potential safety of the public and property from an accidental, and even more importantly intentional spills, have increased. While improvements have been made over the past decade in assessing hazards from LNG spills, the existing experimental data is much smaller in size and scale than many postulated large accidental and intentional spills. Since the physics and hazards from a fire change with fire size, there are concerns about the adequacy of current hazard prediction techniques for large LNG spills and fires. To address these concerns, Congress funded the Department of Energy (DOE) in 2008 to conduct a series of laboratory and large-scale LNG pool fire experiments at Sandia National Laboratories (Sandia) in Albuquerque, New Mexico. This report presents the test data and results of both sets of fire experiments. A series of five reduced-scale (gas burner) tests (yielding 27 sets of data) were conducted in 2007 and 2008 at Sandia's Thermal Test Complex (TTC) to assess flame height to fire diameter ratios as a function of nondimensional heat release rates for extrapolation to large-scale LNG fires. The large-scale LNG pool fire experiments were conducted in a 120 m diameter pond specially designed and constructed in Sandia's Area III large-scale test complex. Two fire tests of LNG spills of 21 and 81 m in diameter were conducted in 2009 to improve the understanding of flame height, smoke production, and burn rate and therefore the physics and hazards of large LNG spills and fires.

Abstract not provided.

Abstract not provided.

X-ray momentum coupling coefficients, C{sub M}, were determined by measuring stress waveforms in planetary materials subjected to impulsive radiation loading from the Sandia National Laboratories Z-machine. Results from the velocity interferometry (VISAR) diagnostic provided limited equation-of-state data as well. Targets were iron and stone meteorites, magnesium rich olivine (dunite) solid and powder ({approx}5--300 {mu}m), and Si, Al, and Fe calibration targets. All samples were {approx}1 mm thick and, except for Si, backed by LiF single-crystal windows. The x-ray spectrum included a combination of thermal radiation (blackbody 170--237 eV) and line emissions from the pinch material (Cu, Ni, Al, or stainless steel). Target fluences 0.4--1.7 kJ/cm{sup 2} at intensities 43--260 GW/cm{sup 2} produced front surface plasma pressures 2.6--12.4 GPa. Stress waves driven into the samples were attenuating due to the short ({approx}5 ns) duration of the drive pulse. Attenuating wave impulse is constant allowing accurate C{sub M} measurements provided mechanical impedance mismatch between samples and the window are known. Impedance-corrected C{sub M} determined from rear-surface motion was 1.9--3.1 x 10{sup -5} s/m for stony meteorites, 2.7 and 0.5 x 10{sup -5} s/m for solid and powdered dunite, 0.8--1.4 x 10{sup -5}.

We are developing a low-emissivity thermal management coating system to minimize radiative heat losses under a high-vacuum environment. Good adhesion, low outgassing, and good thermal stability of the coating material are essential elements for a long-life, reliable thermal management device. The system of electroplated Au coating on the adhesion-enhancing Wood's Ni strike and 304L substrate was selected due to its low emissivity and low surface chemical reactivity. The physical and chemical properties, interface bonding, thermal aging, and compatibility of the above Au/Ni/304L system were examined extensively. The study shows that the as-plated electroplated Au and Ni samples contain submicron columnar grains, stringers of nanopores, and/or H{sub 2} gas bubbles, as expected. The grain structure of Au and Ni are thermally stable up to 250 C for 63 days. The interface bonding is strong, which can be attributed to good mechanical locking among the Au, the 304L, and the porous Ni strike. However, thermal instability of the nanopore structure (i.e., pore coalescence and coarsening due to vacancy and/or entrapped gaseous phase diffusion) and Ni diffusion were observed. In addition, the study also found that prebaking 304L in the furnace at {ge} 1 x 10{sup -4} Torr promotes surface Cr-oxides on the 304L surface, which reduces the effectiveness of the intended H-removal. The extent of the pore coalescence and coarsening and their effect on the long-term system integrity and outgassing are yet to be understood. Mitigating system outgassing and improving Au adhesion require a further understanding of the process-structure-system performance relationships within the electroplated Au/Ni/304L system.

Exascale systems will have hundred thousands of compute nodes and millions of components which increases the likelihood of faults. Today, applications use checkpoint/restart to recover from these faults. Even under ideal conditions, applications running on more than 50,000 nodes will spend more than half of their total running time saving checkpoints, restarting, and redoing work that was lost. Redundant computing is a method that allows an application to continue working even when failures occur. Instead of each failure causing an application interrupt, multiple failures can be absorbed by the application until redundancy is exhausted. In this paper we present a method to analyze the benefits of redundant computing, present simulation results of the cost, and compare it to other proposed methods for fault resilience.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

A Rayleigh wave propagates laterally without dispersion in the vicinity of the plane stress-free surface of a homogeneous and isotropic elastic halfspace. The phase speed is independent of frequency and depends only on the Poisson ratio of the medium. However, after temporal and spatial discretization, a Rayleigh wave simulated by a 3D staggered-grid finite-difference (FD) seismic wave propagation algorithm suffers from frequency- and direction-dependent numerical dispersion. The magnitude of this dispersion depends critically on FD algorithm implementation details. Nevertheless, proper gridding can control numerical dispersion to within an acceptable level, leading to accurate Rayleigh wave simulations. Many investigators have derived dispersion relations appropriate for body wave propagation by various FD algorithms. However, the situation for surface waves is less well-studied. We have devised a numerical search procedure to estimate Rayleigh phase speed and group speed curves for 3D O(2,2) and O(2,4) staggered-grid FD algorithms. In contrast with the continuous time-space situation (where phase speed is obtained by extracting the appropriate root of the Rayleigh cubic), we cannot develop a closed-form mathematical formula governing the phase speed. Rather, we numerically seek the particular phase speed that leads to a solution of the discrete wave propagation equations, while holding medium properties, frequency, horizontal propagation direction, and gridding intervals fixed. Group speed is then obtained by numerically differentiating the phase speed with respect to frequency. The problem is formulated for an explicit stress-free surface positioned at two different levels within the staggered spatial grid. Additionally, an interesting variant involving zero-valued medium properties above the surface is addressed. We refer to the latter as an implicit free surface. Our preliminary conclusion is that an explicit free surface, implemented with O(4) spatial FD operators and positioned at the level of the compressional stress components, leads to superior numerical dispersion performance. Phase speeds measured from fixed-frequency synthetic seismograms agree very well with the numerical predictions.

Abstract not provided.

Abstract not provided.

Shales and other mudstones are the most abundant rock types in sedimentary basins, yet have received comparatively little attention. Common as hydrocarbon seals, these are increasingly being targeted as unconventional gas reservoirs, caprocks for CO2 sequestration, and storage repositories for waste. The small pore and grain size, large specific surface areas, and clay mineral structures lend themselves to rapid reaction rates, high capillary pressures, and semi-permeable membrane behavior accompanying changes in stress, pressure, temperature and chemical conditions. Under far from equilibrium conditions, mudrocks display a variety of spatio-temporal self-organized phenomena arising from nonlinear thermo-mechano-chemo-hydro coupling. Beginning with a detailed examination of nano-scale pore network structures in mudstones, we discuss the dynamics behind such self-organized phenomena as pressure solitons in unconsolidated muds, chemically-induced flow self focusing and permeability transients, localized compaction, time dependent well-bore failure, and oscillatory osmotic fluxes as they occur in clay-bearing sediments. Examples are draw from experiments, numerical simulation, and the field. These phenomena bear on the ability of these rocks to serve as containment barriers.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Monge first posed his (L{sup 1}) optimal mass transfer problem: to find a mapping of one distribution into another, minimizing total distance of transporting mass, in 1781. It remained unsolved in R{sup n} until the late 1990's. This result has since been extended to Riemannian manifolds. In both cases, optimal mass transfer relies upon a key lemma providing a Lipschitz control on the directions of geodesics. We will discuss the Lipschitz control of geodesics in the (subRiemannian) Heisenberg group. This provides an important step towards a potential theoretic proof of Monge's problem in the Heisenberg group.

Abstract not provided.

A range of core operations and planning problems for the national electrical grid are naturally formulated and solved as stochastic programming problems, which minimize expected costs subject to a range of uncertain outcomes relating to, for example, uncertain demands or generator output. A critical decision issue relating to such stochastic programs is: How many scenarios are required to ensure a specific error bound on the solution cost? Scenarios are the key mechanism used to sample from the uncertainty space, and the number of scenarios drives computational difficultly. We explore this question in the context of a long-term grid generation expansion problem, using a bounding procedure introduced by Mak, Morton, and Wood. We discuss experimental results using problem formulations independently minimizing expected cost and down-side risk. Our results indicate that we can use a surprisingly small number of scenarios to yield tight error bounds in the case of expected cost minimization, which has key practical implications. In contrast, error bounds in the case of risk minimization are significantly larger, suggesting more research is required in this area in order to achieve rigorous solutions for decision makers.

While advances in manufacturing enable the fabrication of integrated circuits containing tens-to-hundreds of millions of devices, the time-sensitive modeling and simulation necessary to design these circuits poses a significant computational challenge. This is especially true for mixed-signal integrated circuits where detailed performance analyses are necessary for the individual analog/digital circuit components as well as the full system. When the integrated circuit has millions of devices, performing a full system simulation is practically infeasible using currently available Electrical Design Automation (EDA) tools. The principal reason for this is the time required for the nonlinear solver to compute the solutions of large linearized systems during the simulation of these circuits. The research presented in this report aims to address the computational difficulties introduced by these large linearized systems by using Model Order Reduction (MOR) to (i) generate specialized preconditioners that accelerate the computation of the linear system solution and (ii) reduce the overall dynamical system size. MOR techniques attempt to produce macromodels that capture the desired input-output behavior of larger dynamical systems and enable substantial speedups in simulation time. Several MOR techniques that have been developed under the LDRD on 'Solution Methods for Very Highly Integrated Circuits' will be presented in this report. Among those presented are techniques for linear time-invariant dynamical systems that either extend current approaches or improve the time-domain performance of the reduced model using novel error bounds and a new approach for linear time-varying dynamical systems that guarantees dimension reduction, which has not been proven before. Progress on preconditioning power grid systems using multi-grid techniques will be presented as well as a framework for delivering MOR techniques to the user community using Trilinos and the Xyce circuit simulator, both prominent world-class software tools.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

The purpose of this study was to asses the utility of a Long Wave Infrared (LWIR) snapshot imager for remote sensing applications. The snapshot imager is made possible by the utilization of a color filter array that selectively allows different wavelengths of light to be collected on separate pixels of the focal plane in same fashion as a typical Bayer array in visible portion of the spectrum [1]. Recent technology developments have made this possible in the LWIR [2]. The primary focus of the study is to develop a band selection technique that is capable of identifying both the optimal number and width of the spectral channels. Once selected, the theoretical sensor performance is used to evaluate the usefulness in a typical remote sensing application. ©2010 IEEE.

Efficient collective operations are a major component of application scalability. Offload of collective operations onto the network interface reduces many of the latencies that are inherent in network communications and, consequently, reduces the time to perform the collective operation. To support offload, it is desirable to expose semantic building blocks that are simple to offload and yet powerful enough to implement a variety of collective algorithms. This paper presents the implementation of barrier and broadcast leveraging triggered operations - a semantic building block for collective offload. Triggered operations are shown to be both semantically powerful and capable of improving performance. © 2010 Springer-Verlag.

The dominant method of small molecule quantum chemistry over the last twenty years is CCSD(T). Despite this success, RHF-based CCSD(T) fails for systems away from equilibrium. Work over the last ten years has lead to modifications of CCSD(T) that improve the description of bond breaking. These new methods include CCSD(T), CCSD(2)T, CCSD(2) and CR-CC(2,3), which are new perturbative corrections to single-reference CCSD. We present a unified derivation of these methods and compare them at the level of formal theory and computational accuracy. None of the methods is clearly superior, although formal considerations favour CCSD(T) and computational accuracy for the systems considered favours CR-CC(2,3). © 2010 Taylor & Francis.

The "DaMaGe-Initiated-Reaction" (DMGIR) computational model has been developed to predict the response of ideal high explosives to impulsive loading from non-shock mechanical insults. The distinguishing feature of this model is the introduction of a damage variable, which relates the evolution of damage to the initiation of a reaction in the explosive, and its growth to detonation. This model development effort treats the non-shock initiation behavior of explosives by families; rigid plastic bonded, cast, and moldable plastic explosives. Specifically designed experiments were used to study the initiation process of each explosive family with embedded shock sensors and optical diagnostics. The experimental portion of this model development began with a study of PBXN-5 to develop DMGIR model coefficients for the rigid plastic bonded family, followed by studies of the cast, and bulk-moldable explosive families, including the thermal effects on initiation for the cast explosive family. The experimental results show an initiation mechanism that is related to impulsive energy input and material damage, with well defined initiation thresholds for each explosive family. These initiation details will be used to extend the predictive capability of the DMGIR model from the rigid family into the cast and bulk-moldable families. © 2010 Society for Experimental Mechanics Inc.

Uncertainty quantification (UQ) equations have been derived for predicting matching uncertainty in two-dimensional image correlation a priori. These equations include terms that represent the image noise and image contrast. Researchers at the University of South Carolina have extended previous 1D work to calculate matching errors in 2D. These 2D equations have been coded into a Sandia National Laboratories UQ software package to predict the uncertainty for DIC images. This paper presents those equations and the resulting error surfaces for trial speckle images. Comparison of the UQ results with experimentally subpixel-shifted images is also discussed. © 2010 Society for Experimental Mechanics Inc.

Abstract not provided.

The use of uniaxial strain ramp loading experiments to measure strength at extremely high strain rates is discussed. The technique is outlined and issues associated with it are examined. Results for 6061-T6 aluminum are presented that differ from the conventional view of strain rate sensitivity in aluminum alloys. © 2010 Society for Experimental Mechanics Inc.

Micro-optical 5mm lenses in 50mm sub-arrays illuminate arrays of photovoltaic cells with 49X concentration. Fine tracking over ±10° FOV in sub-array allows coarse tracking by meter-sized solar panels. Plastic prototype demonstrated for 400nm<λ<1600nm. © 2010 Copyright SPIE - The International Society for Optical Engineering.

A discrete Fourier transform (DFT) or the closely related discrete cosine transform (DCT) is often employed as part of a data compression scheme. This paper presents a fast partial Fourier transform (FPFT) algorithm that is useful for calculating a subset of M Fourier transform coefficients for a data set comprised of N points (M < N). This algorithm reduces to the standard DFT when M = 1 and it reduces to the radix-2, decimation-in-time FFT when M = N and N is a power of 2. The DFT requires on the order of MN complex floating point multiplications to calculate M coefficients for N data points, a complete FFT requires on the order of (N/2)log2N multiplications independent of M, and the new FPFT algorithm requires on the order of (N/2)log2M + N multiplications. The FPFT algorithm introduced in this paper could be readily adapted to parallel processing. In addition to data compression, the FPFT algorithm described in this paper might be useful for very narrow band filter operations that pass only a small number of non-zero frequency coefficients such that M ≪ N. © 2010 Copyright SPIE - The International Society for Optical Engineering.

Most demonstrations in silicon photonics are done with single devices that are targeted for use in future systems. One of the costs of operating multiple devices concurrently on a chip in a system application is the power needed to properly space resonant device frequencies on a system's frequency grid. We asses this power requirement by quantifying the source and impact of process induced resonant frequency variation for microdisk resonators across individual die, entire wafers and wafer lots for separate process runs. Additionally we introduce a new technique, utilizing the Transverse Electric (TE) and Transverse Magnetic (TM) modes in microdisks, to extract thickness and width variations across wafers and dice. Through our analysis we find that a standard six inch Silicon on Insulator (SOI) 0.35μm process controls microdisk resonant frequencies for the TE fundamental resonances to within 1THz across a wafer and 105GHz within a single die. Based on demonstrated thermal tuner technology, a stable manufacturing process exhibiting this level of variation can limit the resonance trimming power per resonant device to 231μW. Taken in conjunction with the power to compensate for thermal environmental variations, the expected power requirement to compensate for fabrication-induced non-uniformities is 17% of that total. This leads to the prediction that thermal tuning efficiency is likely to have the most dominant impact on the overall power budget of silicon photonics resonator technology. © 2010 Optical Society of America.

What do the architectures of a future exascale computing system and a future battery-operated embedded system have in common? At first glance, their requirements and challenges seem unrelated. However, discussions and collaboration on the projects revealed not only similar requirements, but many common power and packaging issues as well. © 2006 IEEE.

Abstract not provided.

Grain junction angles control microstructural morphology and evolution, but because they are difficult to measure, they are reported rarely. We have developed a method, based on the optimization of the Pearson's correlation coefficient, to measure grain junction angles in planar discretized microstructures without converting or remeshing the original data. We find that the grain junction angle distribution of equiaxed, relatively isotropic, three-dimensional (3D) microstructures is a Gaussian distribution centered about 120 deg, with a larger width than predicted primarily because of boundary energy anisotropy. Short boundary segments, which occur primarily in sections of 3D microstructures, cause anomalous peaks in the grain junction angle distribution that provide a marker for sample dimensionality. The grain junction angle distribution is a characterization metric for digitized microstructures, revealing the effects of grain boundary energy anisotropy, simulation parameters, and dimensionality. © 2010 The Minerals, Metals & Materials Society and ASM International.

In his 2009 Prague speech and the 2010 Nuclear Posture Review, President Barack Obama committed the United States to take concrete steps toward nuclear disarmament while maintaining a safe, secure, and effective nuclear deterrent. There is an inherent tension between these two goals that is best addressed through improved integration of nuclear weapons objectives with nuclear arms control objectives. This article reviews historical examples of the interaction between the two sets of objectives, develops a framework for analyzing opportunities for future integration, and suggests specific ideas that could benefit the nuclear weapons enterprise as it undergoes transformation and that could make the future enterprise compatible with a variety of arms control futures. © 2010 Monterey Institute of International Studies, James Martin Center for Nonproliferation Studies.

This report summarizes a series of three-dimensional simulations for the Bayou Choctaw Strategic Petroleum Reserve. The U.S. Department of Energy plans to leach two new caverns and convert one of the existing caverns within the Bayou Choctaw salt dome to expand its petroleum reserve storage capacity. An existing finite element mesh from previous analyses is modified by changing the locations of two caverns. The structural integrity of the three expansion caverns and the interaction between all the caverns in the dome are investigated. The impacts of the expansion on underground creep closure, surface subsidence, infrastructure, and well integrity are quantified. Two scenarios were used for the duration and timing of workover conditions where wellhead pressures are temporarily reduced to atmospheric pressure. The three expansion caverns are predicted to be structurally stable against tensile failure for both scenarios. Dilatant failure is not expected within the vicinity of the expansion caverns. Damage to surface structures is not predicted and there is not a marked increase in surface strains due to the presence of the three expansion caverns. The wells into the caverns should not undergo yield. The results show that from a structural viewpoint, the locations of the two newly proposed expansion caverns are acceptable, and all three expansion caverns can be safely constructed and operated.

Creating the next generation of power-efficient parallel computers requires a rethink of the mechanisms and methodology for building parallel applications. Energy constraints have pushed us into a regime where parallelism will be ubiquitous rather than limited to highly specialized high-end supercomputers. New execution models are required to span all scales, from desktop to supercomputer. © 2006 IEEE.

The mobility of dislocations is shown to be a size-dependent phenomenon. When dislocations intersect free surfaces, the mobility decreases as the dislocation length decreases, suggesting that dislocation motion in small structures may be more difficult. This increased drag may be related to surface forces acting where the dislocation intersects the free surface or from altered dislocation-phonon interactions. Mobility, however, is not as dependent on the film thickness and converges rapidly to bulk values. © 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Magnesium batteries are alternatives to the use of lithium ion and nickel metal hydride secondary batteries due to magnesium's abundance, safety of operation, and lower toxicity of disposal. The divalency of the magnesium ion and its chemistry poses some difficulties for its general and industrial use. This work developed a continuous and fibrous nanoscale network of the cathode material through the use of electrospinning with the goal of enhancing performance and reactivity of the battery. The system was characterized and preliminary tests were performed on the constructed battery cells. We were successful in building and testing a series of electrochemical systems that demonstrated good cyclability maintaining 60-70% of discharge capacity after more than 50 charge-discharge cycles.

Abstract not provided.

This report summarizes the findings of a five-month LDRD project funded through Sandia's NTM Investment Area. The project was aimed at providing the foundation for the development of advanced functional materials through the application of ultrathin coatings of microporous or mesoporous materials onto the surface of substrates such as silicon wafers. Prior art teaches that layers of microporous materials such as zeolites may be applied as, e.g., sensor platforms or gas separation membranes. These layers, however, are typically several microns to several hundred microns thick. For many potential applications, vast improvements in the response of a device could be realized if the thickness of the porous layer were reduced to tens of nanometers. However, a basic understanding of how to synthesize or fabricate such ultra-thin layers is lacking. This report describes traditional and novel approaches to the growth of layers of microporous materials on silicon wafers. The novel approaches include reduction of the quantity of nutrients available to grow the zeolite layer through minimization of solution volume, and reaction of organic base (template) with thermally-oxidized silicon wafers under a steam atmosphere to generate ultra-thin layers of zeolite MFI.

Naturally occurring clay minerals provide a distinctive material for carbon capture and carbon dioxide sequestration. Swelling clay minerals, such as the smectite variety, possess an aluminosilicate structure that is controlled by low-charge layers that readily expand to accommodate water molecules and, potentially, carbon dioxide. Recent experimental studies have demonstrated the efficacy of intercalating carbon dioxide in the interlayer of layered clays but little is known about the molecular mechanisms of the process and the extent of carbon capture as a function of clay charge and structure. A series of molecular dynamics simulations and vibrational analyses have been completed to assess the molecular interactions associated with incorporation of CO2 in the interlayer of montmorillonite clay and to help validate the models with experimental observation.

Abstract not provided.

Many U. S. nuclear power plants are approaching 40 years of age and there is a desire to extend their life for up to 100 total years. Safety-related cables were originally qualified for nuclear power plant applications based on IEEE Standards that were published in 1974. The qualifications involved procedures to simulate 40 years of life under ambient power plant aging conditions followed by simulated loss of coolant accident (LOCA). Over the past 35 years or so, substantial efforts were devoted to determining whether the aging assumptions allowed by the original IEEE Standards could be improved upon. These studies led to better accelerated aging methods so that more confident 40-year lifetime predictions became available. Since there is now a desire to potentially extend the life of nuclear power plants way beyond the original 40 year life, there is an interest in reviewing and critiquing the current state-of-the-art in simulating cable aging. These are two of the goals of this report where the discussion is concentrated on the progress made over the past 15 years or so and highlights the most thorough and careful published studies. An additional goal of the report is to suggest work that might prove helpful in answering some of the questions and dealing with some of the issues that still remain with respect to simulating the aging and predicting the lifetimes of safety-related cable materials.

We present advances with a 32 element scalable, segmented dual mode imager. Scaling up the number of cells results in a 1.4 increase in efficiency over a system we deployed last year. Variable plane separation has been incorporated which further improves the efficiency of the detector. By using 20 cm diameter cells we demonstrate that we could increase sensitivity by a factor of 6. We further demonstrate gamma ray imaging in from Compton scattering. This feature allows for powerful dual mode imaging. Selected results are presented that demonstrate these new capabilities.

In attempting to detect and map out underground facilities, whether they be large-scale hardened deeply-buried targets (HDBT's) or small-scale tunnels for clandestine border or perimeter crossing, seismic imaging using reflections from the tunnel interface has been seen as one of the better ways to both detect and delineate tunnels from the surface. The large seismic impedance contrast at the tunnel/rock boundary should provide a strong, distinguishable seismic response, but in practice, such strong indicators are often lacking. One explanation for the lack of a good seismic reflection at such a strong contrast boundary is that the damage caused by the tunneling itself creates a zone of altered seismic properties that significantly changes the nature of this boundary. This report examines existing geomechanical data that define the extent of an excavation damage zone around underground tunnels, and the potential impact on rock properties such as P-wave and S-wave velocities. The data presented from this report are associated with sites used for the development of underground repositories for the disposal of radioactive waste; these sites have been excavated in volcanic tuff (Yucca Mountain) and granite (HRL in Sweden, URL in Canada). Using the data from Yucca Mountain, a numerical simulation effort was undertaken to evaluate the effects of the damage zone on seismic responses. Calculations were performed using the parallelized version of the time-domain finitedifference seismic wave propagation code developed in the Geophysics Department at Sandia National Laboratories. From these numerical simulations, the damage zone does not have a significant effect upon the tunnel response, either for a purely elastic case or an anelastic case. However, what was discovered is that the largest responses are not true reflections, but rather reradiated Stoneley waves generated as the air/earth interface of the tunnel. Because of this, data processed in the usual way may not correctly image the tunnel. This report represents a preliminary step in the development of a methodology to convert numerical predictions of rock properties to an estimation of the extent of rock damage around an underground facility and its corresponding seismic velocity, and the corresponding application to design a testing methodology for tunnel detection.

We have developed a mature laboratory at Sandia to measure interfacial rheology, using a combination of home-built, commercially available, and customized commercial tools. An Interfacial Shear Rheometer (KSV ISR-400) was modified and the software improved to increase sensitivity and reliability. Another shear rheometer, a TA Instruments AR-G2, was equipped with a du Nouey ring, bicone geometry, and a double wall ring. These interfacial attachments were compared to each other and to the ISR. The best results with the AR-G2 were obtained with the du Nouey ring. A Micro-Interfacial Rheometer (MIR) was developed in house to obtain the much higher sensitivity given by a smaller probe. However, it was found to be difficult to apply this technique for highly elastic surfaces. Interfaces also exhibit dilatational rheology when the interface changes area, such as occurs when bubbles grow or shrink. To measure this rheological response we developed a Surface Dilatational Rheometer (SDR), in which changes in surface tension with surface area are measured during the oscillation of the volume of a pendant drop or bubble. All instruments were tested with various surfactant solutions to determine the limitations of each. In addition, foaming capability and foam stability were tested and compared with the rheology data. It was found that there was no clear correlation of surface rheology with foaming/defoaming with different types of surfactants, but, within a family of surfactants, rheology could predict the foam stability. Diffusion of surfactants to the interface and the behavior of polyelectrolytes were two subjects studied with the new equipment. Finally, surface rheological terms were added to a finite element Navier-Stokes solver and preliminary testing of the code completed. Recommendations for improved implementation were given. When completed we plan to use the computations to better interpret the experimental data and account for the effects of the underlying bulk fluid.

Because of their penetrating power, energetic neutrons and gamma rays ({approx}1 MeV) offer the best possibility of detecting highly shielded or distant special nuclear material (SNM). Of these, fast neutrons offer the greatest advantage due to their very low and well understood natural background. We are investigating a new approach to fast-neutron imaging- a coded aperture neutron imaging system (CANIS). Coded aperture neutron imaging should offer a highly efficient solution for improved detection speed, range, and sensitivity. We have demonstrated fast neutron and gamma ray imaging with several different configurations of coded masks patterns and detectors including an 'active' mask that is composed of neutron detectors. Here we describe our prototype detector and present some initial results from laboratory tests and demonstrations.

The corrosion behavior of A516 carbon steel was evaluated to determine the effect of the dissolved chloride content in molten binary Solar Salt. Corrosion tests were conducted in a molten salt consisting of a 60-40 weight ratio of NaNO{sub 3} and KNO{sub 3} at 400{sup o}C and 450{sup o}C for up to 800 hours. Chloride concentrations of 0, 0.5 and 1.0 wt.% were investigated to determine the effect on corrosion of this impurity, which can be present in comparable amounts in commercial grades of the constituent salts. Corrosion rates were determined by descaled weight losses, corrosion morphology was examined by metallographic sectioning, and the types of corrosion products were determined by x-ray diffraction. Corrosion proceeded by uniform surface scaling and no pitting or intergranular corrosion was observed. Corrosion rates increased significantly as the concentration of dissolved chloride in the molten salt increased. The adherence of surface scales, and thus their protective properties, was degraded by dissolved chloride, fostering more rapid corrosion. Magnetite was the only corrosion product formed on the carbon steel specimens, regardless of chloride content or temperature.

Technology Readiness Levels (TRLs) have been used extensively from the 1970s, especially in the National Aeronautics and Space Administration (NASA). Their application was recommended by the General Accounting Office in 1999 to be used for major Department of Defense acquisition projects. Manufacturing Readiness Levels (MRLs) have been proposed for improving the way manufacturing risks and readiness are identified; they were introduced to the defense community in 2005, but have not been used as broadly as TRLs. Originally TRLs were used to assess the readiness of a single technology. With the emergence of more complex systems and system of systems, it has been increasingly recognized that TRLs have limitations, especially when considering integration of complex systems. Therefore, it is important to use TRLs in the correct context. Details on TRLs and MRLs are reported in this paper. More recent indices to establish a better understanding of the integrated readiness state of systems are presented. Newer readiness indices, System Readiness Levels (SRLs) and Integration Readiness Levels, are discussed and their limitations and advantages are presented, along with an example of computing SRLs. It is proposed that a modified SRL be considered that explicitly includes the MRLs and a modification of the TRLs to include the Integrated Technology Index (ITI) and/or the Advancement Degree of Difficulty index proposed by NASA. Finally, the use of indices to perform technology assessments are placed into the overall context of technology management, recognizing that factors to transition and manage technology include cost, schedule, manufacturability, integration readiness, and technology maturity.

Abstract not provided.

Sandia National Laboratories (SNL) has conducted radiation effects testing for the Department of Energy (DOE) and other contractors supporting the DOE since the 1960's. Over this period, the research reactor facilities at Sandia have had a primary mission to provide appropriate nuclear radiation environments for radiation testing and qualification of electronic components and other devices. The current generation of reactors includes the Annular Core Research Reactor (ACRR), a water-moderated pool-type reactor, fueled by elements constructed from UO2-BeO ceramic fuel pellets, and the Sandia Pulse Reactor III (SPR-III), a bare metal fast burst reactor utilizing a uranium-molybdenum alloy fuel. The SPR-III is currently defueled. The SPR Facility (SPRF) has hosted a series of critical experiments. A purpose-built critical experiment was first operated at the SPRF in the late 1980's. This experiment, called the Space Nuclear Thermal Propulsion Critical Experiment (CX), was designed to explore the reactor physics of a nuclear thermal rocket motor. This experiment was fueled with highly-enriched uranium carbide fuel in annular water-moderated fuel elements. The experiment program was completed and the fuel for the experiment was moved off-site. A second critical experiment, the Burnup Credit Critical Experiment (BUCCX) was operated at Sandia in 2002. The critical assembly for this experiment was based on the assembly used in the CX modified to accommodate low-enriched pin-type fuel in water moderator. This experiment was designed as a platform in which the reactivity effects of specific fission product poisons could be measured. Experiments were carried out on rhodium, an important fission product poison. The fuel and assembly hardware for the BUCCX remains at Sandia and is available for future experimentation. The critical experiment currently in operation at the SPRF is the Seven Percent Critical Experiment (7uPCX). This experiment is designed to provide benchmark reactor physics data to support validation of the reactor physics codes used to design commercial reactor fuel elements in an enrichment range above the current 5% enrichment cap. A first set of critical experiments in the 7uPCX has been completed. More experiments are planned in the 7uPCX series. The critical experiments at Sandia National Laboratories are currently funded by the US Department of Energy Nuclear Criticality Safety Program (NCSP). The NCSP has committed to maintain the critical experiment capability at Sandia and to support the development of a critical experiments training course at the facility. The training course is intended to provide hands-on experiment experience for the training of new and re-training of practicing Nuclear Criticality Safety Engineers. The current plans are for the development of the course to continue through the first part of fiscal year 2011 with the development culminating is the delivery of a prototype of the course in the latter part of the fiscal year. The course will be available in fiscal year 2012.

When DC or AC electric fields are applied to a thin liquid film, the interface may become unstable and form a series of pillars. We examine how the presence of a second liquid interface influences pillar dynamics and morphologies. For perfect dielectric films, linear stability analysis of a lubrication-approximation-based model shows that the root mean square voltage governs the pillar behavior. For leaky dielectric films, Floquet theory is applied to carry out the linear stability analysis, and reveals that the accumulation of free charge at each interface depends on the conductivities in the adjoining phases and that high frequencies of the AC electric field may be used to control this accumulation at each interface independently. The results presented here may of interest for the controlled creation of surface topographical features in applications such as patterned coatings and microelectronics.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Contaminant sensor placement is often cast as an optimization problem to minimize objectives such as the probability of failed detection or public health impact. In the case of an actual incident, the sensor network data will also be utilized for event characterization to estimate source location, size and hazard areas. We present a sensor placement methodology to optimize for event characterization performance, and also compare the results to traditional placement objectives.

Geochemical Engineering Design (GED) is based on applications of the principles and various computer models that describe the biogeochemistry and physics of removal of contaminants from water by adsorption, precipitation and filtration. It can be used to optimize or evaluate the efficiency of all phases of in situ recovery (ISR). The primary tools of GED are reactive transport models; this talk describes the potential application of the HYDROGEOCHEM family of codes to ISR. The codes can describe a complete suite of equilibrium or kinetic aqueous complexation, adsorption-desorption, precipitation-dissolution, redox, and acid-base reactions in variably saturated media with density-dependent fluid flow. Applications to ISR are illustrated with simulations of (1) the effectiveness of a reactive barrier to prevent off-site uranium migration and (2) evaluation of the effect of sorption hysteresis on natural attenuation. In the first example, it can be seen that the apparent effectiveness of the barrier depends on monitoring location and that it changes over time. This is due to changes in pH, saturation of sorption sites, as well as the geometry of the flow field. The second simulation shows how sorption hysteresis leads to observable attenuation of a uranium contamination plume. Different sorption mechanisms including fast (or reversible), slow, and irreversible sorption were simulated. The migration of the dissolved and total uranium plumes for the different cases are compared and the simulations show that when 50-100% of the sites have slow desorption rates, the center of mass of the dissolved uranium plume begins to move upstream. This would correspond to the case in which the plume boundaries begin to shrink as required for demonstration of natural attenuation.

There is a long literature studying the criticality of space reactors immersed in water/sand after a launch accident; however most of these studies evaluate nominal or uniformly compacted system configurations. There is less research on the reactivity consequences of impact, which can cause large structural deformation of reactor components that can result in changes in the reactivity of the system. Predicting these changes is an important component of launch safety analysis. This paper describes new features added to the DAG-MCNP5 neutronics code that allow the criticality analysis of deformed geometries. A CAD-based solid model of the reactor geometry is used to generate an initial mesh for a structural mechanics impact calculation using the PRONTO3D/PRESTO continuum mechanics codes. Boundary conditions and material specifications for the reactivity analysis are attached to the solid model that is then associated with the initial mesh representation. This geometry is then updated with the deformed finite element mesh to perturb node coordinates. DAG-MCNP5 was extended to accommodate two consequences of the large structural deformations: dead elements representing fracture, and small overlaps between adjacent volumes. The dead elements are removed during geometry initialization and adjustments are made to conseve mass. More challenging, small overlaps where adjacent mesh elements contact cause the geometric queries to become unreliable. A new point membership test was developed that is tolerant of self-intersecting volumes, and the particle tracking algorithm was adjusted to enable transport through small overlaps. These new features enable DAG-MCNP5 to perform particle transport and criticality eigenvalue calculations on both deformed mesh geometry and CAD geometry with small geometric defects. Detailed impact simulations were performed on an 85-pin space reactor model. Iin the most realistic model that included NaK coolant and water in the impact simulation, the eigenvalue was determined to increase 2.7% due to impact.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Development of high energy density dielectrics with low temperature coefficients of capacitance that are systems integrable are needed for extreme environment, defense and automotive applications. The synthesis of high purity chemically prepared Ca(Zr,Ti)O3 powders is described and has resulted in the lowering of conventional firing temperatures by over 100 C. Direct write aerosol spray deposition techniques have been used to fabricate high quality single layer and multilayer capacitors from these powders. The dielectric constants of the direct write capacitors are equivalent to those of fired bulk ceramics. Our presentation emphasizes the synthesis, phase evolution and microstructure development that has resulted in dielectrics with energy densities in excess of 3 J/cm3 with less than 1% change in dielectric constant over a 200 C temperature range.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Geological carbon sequestration relies on the principle that CO{sub 2} injected deep into the subsurface is unable to leak to the atmosphere. Structural trapping by a relatively impermeable caprock (often mudstone such as a shale) is the main trapping mechanism that is currently relied on for the first hundreds of years. Many of the pores of the caprock are of micrometer to nanometer scale. However, the distribution, geometry and volume of porosity at these scales are poorly characterized. Differences in pore shape and size can cause variation in capillary properties and fluid transport resulting in fluid pathways with different capillary entry pressures in the same sample. Prediction of pore network properties for distinct geologic environments would result in significant advancement in our ability to model subsurface fluid flow. Specifically, prediction of fluid flow through caprocks of geologic CO{sub 2} sequestration reservoirs is a critical step in evaluating the risk of leakage to overlying aquifers. The micro- and nanoporosity was analyzed in four mudstones using small angle neutron scattering (SANS). These mudstones are caprocks of formations that are currently under study or being used for carbon sequestration projects and include the Marine Tuscaloosa Group, the Lower Tuscaloosa Group, the upper and lower shale members of the Kirtland Formation, and the Pennsylvanian Gothic shale. Total organic carbon varies from <0.3% to 4% by weight. Expandable clay contents range from 10% to {approx}40% in the Gothic shale and Kirtland Formation, respectively. Neutrons effectively scatter from interfaces between materials with differing scattering length density (i.e. minerals and pores). The intensity of scattered neutrons, I(Q), where Q is the scattering vector, gives information about the volume of pores and their arrangement in the sample. The slope of the scattering data when plotted as log I(Q) vs. log Q provides information about the fractality or geometry of the pore network. Results from this study, combined with high-resolution TEM imaging, provide insight into the differences in volume and geometry of porosity between these various mudstones.

Abstract not provided.

We present a photonic integrated circuit (PIC) composed of two strongly coupled lasers. This PIC utilizes the dynamics of mutual injection locking to increase the relaxation resonance frequency from 3 GHz to beyond 30 GHz.

Interfacial delamination is often the critical failure mode limiting the performance of polymer/metal interfaces. Consequently methods that measure the toughness of such interfaces are of considerable interest. One approach for measuring the toughness of a polymer/metal interface is to use the stressed-overlayer test. In this test a metal substrate is coated with a sub-micron thick polymer film to create the interface of interest. An overlayer, typically a few tenths of a micron of sputtered tungsten, is then deposited on top of the polymer in such a way as to generate a very high residual compressive stress within the sputtered layer ({approx} 1-2 GPa). This highly stressed overlayer induces delamination and blister formation. The measured buckle heights and widths are then used in conjunction with a fracture mechanics analysis to infer interfacial toughness. Here we use a finite element, cohesive-zone-based, fracture analysis to perform the required interfacial crack growth simulation. This analysis shows that calculated crack growth is sensitive to the polymer layer thickness even when the layer is only 10's of nanometers thick. The inward displacement of the overlayer at the buckle edge, which is enabled by the relatively low polymer compliance, is the primary cause of differences from a rigid substrate idealization.

Low Temperature Cofired Ceramic has proven itself in microelectronics, microsystems (including microfluidic systems), sensors, RF features, and various non-electronic applications. We will discuss selected applications and the processing associated with those applications. We will then focus on our recent work in the area of EMI shielding using full tape thickness features (FTTF) and sidewall metallization. The FTTF is very effective in applications with -150 dB isolation requirements, but presents obvious processing difficulties in full-scale fabrication. The FTTF forms a single continuous solid wall around the volume to be shielded by using sequential punching and feature-filling. We discuss the material incompatibilities and manufacturing considerations that need to be addressed for such structures and show preliminary implementations.

The safe handling of reprocessed fuel addresses several scientific goals, especially when considering the capture and long-term storage of volatile radionuclides that are necessary during this process. Despite not being a major component of the off-gas, radioiodine (I{sub 2}) is particularly challenging, because it is a highly mobile gas and {sup 129}I is a long-lived radionuclide (1.57 x 10{sup 7} years). Therefore, its capture and sequestration is of great interest on a societal level. Herein, we explore novel routes toward the effective capture and storage of iodine. In particular, we report on the novel use of a new class of porous solid-state functional materials (metal-organic frameworks, MOFs), as high-capacity adsorbents of molecular iodine. We further describe the formation of novel glass-composite material (GCM) waste forms from the mixing and sintering of the I{sub 2}-containing MOFs with Bi-Zn-O low-temperature sintering glasses and silver metal flakes. Our findings indicate that, upon sintering, a uniform monolith is formed, with no evidence of iodine loss; iodine is sequestered during the heating process by the in situ formation of AgI. Detailed materials characterization analysis is presented for the GCMs. This includes powder X-ray diffraction, scanning electron microscopy coupled with energy-dispersive spectroscopy (SEM-EDS), thermal analysis (thermogravimetric analysis (TGA)), and chemical durability tests including aqueous leach studies (product consistency test (PCT)), with X-ray fluorescence (XRF) and inductively coupled plasma-mass spectrometry (ICP-MS) of the PCT leachate.

Vapor-deposited, exothermic metal-metal multilayer foils are an ideal class of materials for detailed investigations of pulsed laser-ignited chemical reactions. Created in a pristine vacuum environment by sputter deposition, these high purity materials have well-defined reactant layer thicknesses between 1 and 1000 nm, minimal void density and intimate contact between layers. Provided that layer thicknesses are made small, some reactive metal-metal multilayer foils can be ignited at a point by laser irradiation and exhibit subsequent high-temperature, self-propagating synthesis. With this presentation, we describe the pulsed laser-induced ignition characteristics of a single multilayer system (equiatomic Al/Pt) that exhibits self-propagating synthesis. We show that the thresholds for ignition are dependent on (i) multilayer design and (ii) laser pulse duration. With regard to multilayer design effects on ignition, there is a large range of multilayer periodicity over which ignition threshold decreases as layer thicknesses are made small. We attribute this trend of decreased ignition threshold to reduced mass transport diffusion lengths required for rapid exothermic mixing. With regard to pulse duration effects, we have determined how ignition threshold of a single Al/Pt multilayer varies with pulse duration from 10{sup -2} to {approx} 10{sup -13} sec (wavelength and spot size are held constant). A higher laser fluence is required for ignition when using a single laser pulse {approx} 100 fs or 1 ps compared with nanosecond or microsecond exposure, and we attribute this, in part, to the effects of reactive material being ablated when using the shorter pulse durations. To further understand these trends and other pulsed laser-based processes, our discussion concludes with an analysis of the heat-affected depths in multilayers as a function of pulse duration.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Scalable, distributed algorithms must address communication problems. We investigate overlapping clusters, or vertex partitions that intersect, for graph computations. This setup stores more of the graph than required but then affords the ease of implementation of vertex partitioned algorithms. Our hope is that this technique allows us to reduce communication in a computation on a distributed graph. The motivation above draws on recent work in communication avoiding algorithms. Mohiyuddin et al. (SC09) design a matrix-powers kernel that gives rise to an overlapping partition. Fritzsche et al. (CSC2009) develop an overlapping clustering for a Schwarz method. Both techniques extend an initial partitioning with overlap. Our procedure generates overlap directly. Indeed, Schwarz methods are commonly used to capitalize on overlap. Elsewhere, overlapping communities (Ahn et al, Nature 2009; Mishra et al. WAW2007) are now a popular model of structure in social networks. These have long been studied in statistics (Cole and Wishart, CompJ 1970). We present two types of results: (i) an estimated swapping probability {rho}{infinity}; and (ii) the communication volume of a parallel PageRank solution (link-following {alpha} = 0.85) using an additive Schwarz method. The volume ratio is the amount of extra storage for the overlap (2 means we store the graph twice). Below, as the ratio increases, the swapping probability and PageRank communication volume decreases.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Our ability to field useful, nano-enabled microsystems that capitalize on recent advances in sensor technology is severely limited by the energy density of available power sources. The catalytic nanodiode (reported by Somorjai's group at Berkeley in 2005) was potentially an alternative revolutionary source of micropower. Their first reports claimed that a sizable fraction of the chemical energy may be harvested via hot electrons (a 'chemicurrent') that are created by the catalytic chemical reaction. We fabricated and tested Pt/GaN nanodiodes, which eventually produced currents up to several microamps. Our best reaction yields (electrons/CO{sub 2}) were on the order of 10{sup -3}; well below the 75% values first reported by Somorjai (we note they have also been unable to reproduce their early results). Over the course of this Project we have determined that the whole concept of 'chemicurrent', in fact, may be an illusion. Our results conclusively demonstrate that the current measured from our nanodiodes is derived from a thermoelectric voltage; we have found no credible evidence for true chemicurrent. Unfortunately this means that the catalytic nanodiode has no future as a micropower source.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Performing coupled thermomechanical simulations is becoming an increasingly important aspect of nuclear weapon (NW) safety assessments in abnormal thermal environments. While such capabilities exist in SIERRA, they have thus far been used only in a limited sense to investigate NW safety themes. An important limiting factor is the difficulty associated with developing geometries and meshes appropriate for both thermal and mechanical finite element models, which has limited thermomechanical analysis to simplified configurations. This work addresses the issue of how to perform coupled analyses on models where the underlying geometries and associated meshes are different and tailored to their relevant physics. Such an approach will reduce the model building effort and enable previously developed single-physics models to be leveraged in future coupled simulations. A combined-environment approach is presented in this report using SIERRA tools, with quantitative comparisons made between different options in SIERRA. This report summarizes efforts on running a coupled thermomechanical analysis using the SIERRA Arpeggio code.

Arc-jet wind tunnels produce conditions simulating high-altitude hypersonic flight such as occurs upon entry of space craft into planetary atmospheres. They have traditionally been used to study flight in Earth's atmosphere, which consists mostly of nitrogen and oxygen. NASA is presently using arc jets to study entry into Mars' atmosphere, which consists of carbon dioxide and nitrogen. In both cases, a wide variety of chemical reactions take place among the gas constituents and with test articles placed in the flow. In support of those studies, we made measurements using a residual gas analyzer (RGA) that sampled the exhaust stream of a NASA arc jet. The experiments were conducted at the HYMETS arc jet (Hypersonic Materials Environmental Test System) located at the NASA Langley Research Center, Hampton, VA. This report describes our RGA measurements, which are intended to be used for model validation in combination with similar measurements on other systems.

Abstract not provided.

Abstract not provided.

Conjugated polymers such as poly(p-phenylenevinylene) (PPV) have attracted a great deal of attention due to their optoelectronic properties. The ability to control the lateral spatial resolution of conjugated polymers will allow for improved integration into electronic devices. Here, we present a method for photo-patterning xanthate precursor polymers leading to micron scale spatial control of conjugated poly(p-phenylenevinylene). Our photolithographic process is simple and direct, and should be amenable to a range of other xanthate or dithiocarbamate precursor PPV polymers.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

The objectives are: (1) To increase the adoption of Trilinos throughout DOE research communities that principally write Fortran, e.g. climate & combustion researchers; and (2) To maintain the OOP philosophy of the Trilinos project while using idioms that feel natural to Fortran programmers.

When estimating parameters for a material model from experimental data collected during a separate effects physics experiment, the quality of fit is only a part of the required data. Also necessary is the uncertainty in the estimated parameters so that uncertainty quantification and model validatino can be performed at the full system level. The uncertainty and quality of fit of the data are many times not available and should be considered when fitting the data to a specified model. There are many techniques available to fit data to a material model and a few of them are presented in this work using a simple acoustical emission dataset. The estimated parameters and the affiliated uncertainty will be estimated using a variety of techniques and compared.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Techniques appear promising to construct and integrate automated detect-and-characterize technique for epidemics - Working off biosurveillance data, and provides information on the particular/ongoing outbreak. Potential use - in crisis management and planning, resource allocation - Parameter estimation capability ideal for providing the input parameters into an agent-based model, Index Cases, Time of Infection, infection rate. Non-communicable diseases are easier than communicable ones - Small anthrax can be characterized well with 7-10 days of data, post-detection; plague takes longer, Large attacks are very easy.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Sandia National Laboratories has developed a vehicle-scale demonstration hydrogen storage system as part of a Work for Others project funded by General Motors. This Demonstration System was developed based on the properties and characteristics of sodium alanates which are complex metal hydrides. The technology resulting from this program was developed to enable heat and mass management during refueling and hydrogen delivery to an automotive system. During this program the Demonstration System was subjected to repeated hydriding and dehydriding cycles to enable comparison of the vehicle-scale system performance to small-scale sample data. This paper describes the experimental results of life-cycle studies of the Demonstration System. Two of the four hydrogen storage modules of the Demonstration System were used for this study. A well-controlled and repeatable sorption cycle was defined for the repeated cycling, which began after the system had already been cycled forty-one times. After the first nine repeated cycles, a significant hydrogen storage capacity loss was observed. It was suspected that the sodium alanates had been affected either morphologically or by contamination. The mechanisms leading to this initial degradation were investigated and results indicated that water and/or air contamination of the hydrogen supply may have lead to oxidation of the hydride and possibly kinetic deactivation. Subsequent cycles showed continued capacity loss indicating that the mechanism of degradation was gradual and transport or kinetically limited. A materials analysis was then conducted using established methods including treatment with carbon dioxide to react with sodium oxides that may have formed. The module tubes were sectioned to examine chemical composition and morphology as a function of axial position. The results will be discussed.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Many ballistic fibers have been developed and utilized in soft body armors for military and law enforcement personnel. However, it is complex and challenging to evaluate the performance of ballistic resistance for the ballistic fibers. In applications, the fibers are subjected to high speed transverse impact by external objects. It is thus desirable to understand the dynamic response of the fibers under transverse impact. Transverse wave speed has been recognized a critical parameter for ballistic-resistant performance because a faster transverse wave speed dissipates the external impact energy more quickly. In this study, we employed split Hopkinson pressure bar (SHPB) and gas gun to conduct high-speed impact on a Kevlar fiber bundle in the transverse direction at different velocities. The deformation of the fiber bundle was photographed with high-speed digital cameras. Additional sensitive transducers were employed to provide more quantitative information of the fiber response during such a transverse impact. The experimental results were used for quantitative verification of current analytical models.

We evaluate the stability of electron current flow in high-power magnetically insulated transmission lines (MITLs). A detailed model of electron flow in cross-field gaps yields a dispersion relation for electromagnetic (EM) transverse magnetic waves [R. C. Davidson et al., Phys. Fluids 27, 2332 (1984)] which is solved numerically to obtain growth rates for unstable modes in various sheath profiles. These results are compared with two-dimensional (2D) EM particle-in-cell (PIC) simulations of electron flow in high-power MITLs. We find that the macroscopic properties (charge and current densities and self-fields) of the equilibrium profiles observed in the simulations are well represented by the laminar-flow model of Davidson et al. Idealized simulations of sheared flow in electron sheaths yield growth rates for both long (diocotron) and short (magnetron) wavelength instabilities that are in good agreement with the dispersion analysis. We conclude that electron sheaths that evolve self-consistently from space-charged-limited emission of electrons from the cathode in well-resolved 2D EM PIC simulations form stable profiles.

Numerical simulations using the One-Dimensional-Turbulence model are compared to water-tank measurements [B. J. Sayler and R. E. Breidenthal, J. Geophys. Res. 103 (D8), 8827 (1998)] emulating convection and entrainment in stratiform clouds driven by cloud-top cooling. Measured dependences of the entrainment rate on Richardson number, molecular transport coefficients, and other experimental parameters are reproduced. Additional parameter variations suggest more complicated dependences of the entrainment rate than previously anticipated. A simple algebraic model indicates the ways in which laboratory and cloud entrainment behaviors might be similar and different.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Quantifying the flux and energy of charge exchange neutrals to the walls of fusion experiments is important to understanding wall erosion and energy balance. Quantification of these fluxes is made much more difficult because they have very strong poloidal and toroidal variations. To facilitate such measurements, we have been developing compact, palladium metal oxide semiconductor (Pd-MOS) detectors. These devices are dosemetric detectors, which can evaluate differences between plasma discharges. To become widely used, however, such detectors must be made resistant to UV and x-ray induced damage, as well as high energy particle bombardment. We report here on the fabrication of Schottky diode Pd-MOS devices in which we have minimized the oxide thickness (to reduce the production of charges from UV and x-rays) and increased the Pd overlayer (to reduce charge production from high energy particles). The fabrication has been facilitated through use of an array of metallic posts to improve the Pd film adhesion. The efficacy of the film adhesion and comparison with standard detectors will be examined. Testing and calibration of the detectors is reported as a function of hydrogen flux and energy.

Abstract not provided.

This paper describes mitigation technologies that are intended to enable the deployment of advanced hydrogen storage technologies for early market and automotive fuel cell applications. Solid State hydrogen storage materials provide an opportunity for a dramatic increase in gravimetric and volumetric energy storage density. Systems and technologies based on the advanced materials have been developed and demonstrated within the laboratory [1,2], and in some cases, integrated with fuel cell systems. The R&D community will continue to develop these technologies for an ever increasing market of fuel cell technologies, including, forklift, light-cart, APU, and automotive systems. Solid state hydrogen storage materials are designed and developed to readily release, and in some cases, react with diatomic hydrogen. This favorable behavior is often accomplished with morphology design (high surface area), catalytic additives (titanium for example), and high purity metals (such as aluminum, Lanthanum, or alkali metals). These favorable hydrogen reaction characteristics often have a related, yet less-desirable effect: sensitivity and reactivity during exposure to ambient contamination and out-of-design environmental conditions. Accident scenarios resulting in this less-favorable reaction behavior must also be managed by the system developer to enable technology deployment and market acceptance. Two important accident scenarios are identified through hazards and risk analysis methods. The first involves a breach in plumbing or tank resulting from a collision. The possible consequence of this scenario is analyzed though experimentally based chemical kinetic and transport modeling of metal hydride beds. An advancing reaction front between the metal hydride and ambient air is observed to proceed throughout the bed. This exothermic reaction front can result in loss of structural integrity of the containing vessel and lead to un-favorable overheating events. The second important accident scenario considered is a pool fire or impinging fire resulting from a collision between a hydrocarbon or hydrogen fueled vehicle. The possible consequence of this scenario is analyzed with experimentally-based numerical simulation of a metal hydride system. During a fire scenario, the hydrogen storage material will rapidly decompose and release hydrogen at high pressure. Accident scenarios initiated by a vehicular collision leading a pipe break or catastrophic failure of the hydride vessel and by external pool fire with flame engulfing the storage vessel are developed using probabilistic modeling. The chronology of events occurring subsequent to each accident initiator is detailed in the probabilistic models. Technology developed to manage these scenarios includes: (1) the use of polymer supports to reduce the extent and rate of reaction with air and water, (2) thermal radiation shielding. The polymer supported materials are demonstrated to provide mitigation of unwanted reaction while not impacting the hydrogen storage performance of the material. To mitigate the consequence of fire engulfment or impingement, thermal radiation shielding is considered to slow the rate of decomposition and delay the potential for loss-of-containment. In this paper we explore the use of these important mitigation technologies for a variety of accident scenarios.