Publications

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Hydrogen energy may provide the means to an environmentally friendly future. One of the problems related to its application for transportation is 'on-board' storage. Hydrogen storage in solids has long been recognized as one of the most practical approaches for this purpose. The H-capacity in interstitial hydrides of most metals and alloys is limited to below 2.5% by weight and this is unsatisfactory for on-board transportation applications. Magnesium hydride is an exception with hydrogen capacity of {approx}8.2 wt.%, however, its operating temperature, above 350 C, is too high for practical use. Sodium alanate (NaAlH{sub 4}) absorbs hydrogen up to 5.6 wt.% theoretically; however, its reaction kinetics and partial reversibility do not completely meet the new target for transportation application. Recently Chen et al. [1] reported that (Li{sub 3} N + 2H{sub 2} {leftrightarrow} LiNH{sub 2} + 2LiH) provides a storage material with a possible high capacity, up to 11.5 wt.%, although this material is still too stable to meet the operating pressure/temperature requirement. Here we report a new approach to destabilize lithium imide system by partial substitution of lithium by magnesium in the (LiNH{sub 2 + LiH {leftrightarrow} Li2NH + H2}) system with a minimal capacity loss. This Mg-substituted material can reversibly absorb 5.2 wt.% hydrogen at pressure of 30 bar at 200 C. This is a very promising material for on-board hydrogen storage applications. It is interesting to observe that the starting material (2LiNH{sub 2 + MgH2}) converts to (Mg(NH{sub 2}){sub 2} + 2LiH) after a desorption/re-absorption cycle.

This report documents state-of-the-art methods, tools, and data for the conduct of a fire Probabilistic Risk Assessment (PRA) for a commercial nuclear power plant (NPP) application. The methods have been developed under the Fire Risk Re-quantification Study. This study was conducted as a joint activity between EPRI and the U. S. NRC Office of Nuclear Regulatory Research (RES) under the terms of an EPRI/RES Memorandum of Understanding [RS.1] and an accompanying Fire Research Addendum [RS.2]. Industry participants supported demonstration analyses and provided peer review of this methodology. The documented methods are intended to support future applications of Fire PRA, including risk-informed regulatory applications. The documented method reflects state-of-the-art fire risk analysis approaches. The primary objective of the Fire Risk Study was to consolidate recent research and development activities into a single state-of-the-art fire PRA analysis methodology. Methodological issues raised in past fire risk analyses, including the Individual Plant Examination of External Events (IPEEE) fire analyses, have been addressed to the extent allowed by the current state-of-the-art and the overall project scope. Methodological debates were resolved through a consensus process between experts representing both EPRI and RES. The consensus process included a provision whereby each major party (EPRI and RES) could maintain differing technical positions if consensus could not be reached. No cases were encountered where this provision was invoked. While the primary objective of the project was to consolidate existing state-of-the-art methods, in many areas, the newly documented methods represent a significant advancement over previously documented methods. In several areas, this project has, in fact, developed new methods and approaches. Such advances typically relate to areas of past methodological debate.

In flight tests, certain finned bodies of revolution firing lateral jets experience slower spin rates than expected. The primary cause for the reduced spin rate is the interaction between the lateral jets and the freestream air flowing past the body. This interaction produces vortices that interact with the fins (Vortex-Fin Interaction (VFI)) altering the pressure distribution over the fins and creating torque that counteracts the desired spin (counter torque). The current task is to develop an automated procedure for analyzing the pressures measured at an array of points on the fin surfaces of a body tested in a production-scale wind tunnel to determine the VFI-induced roll torque and compare it to the roll torque experimentally measured with an aerodynamic balance. Basic pressure, force, and torque relationships were applied to finite elements defined by the pressure measurement locations and integrated across the fin surface. The integrated fin pressures will help assess the distinct contributions of the individual fins to the counter torque and aid in correlating the counter torque with the positions and strengths of the vortices. The methodology produced comparisons of the effects of VFI for varying flow conditions such as freestream Mach number and dynamic pressure. The results show that for some cases the calculated counter torque agreed with the measured counter torque; however, the results were less consistent with increased freestream Mach numbers and dynamic pressures.

The analytical model for the depth of correlation (measurement depth) of a microscopic particle image velocimetry (micro-PIV) experiment derived by Olsen and Adrian (Exp. Fluids, 29, pp. S166-S174, 2000) has been modified to be applicable to experiments using high numerical aperture optics. A series of measurements are presented that experimentally quantify the depth of correlation of micro-PIV velocity measurements which employ high numerical aperture and magnification optics. These measurements demonstrate that the modified analytical model is quite accurate in estimating the depth of correlation in micro-PIV measurements using this class of optics. Additionally, it was found that the Gaussian particle approximation made in this model does not significantly affect the model's performance. It is also demonstrated that this modified analytical model easily predicts the depth of correlation when viewing into a medium of a different index of refraction than the immersion medium.

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Solid-state {sup 1}H NMR relaxometry studies were conducted on a hydroxy-terminated polybutadiene (HTPB) based polyurethane elastomer thermo-oxidatively aged at 80 C. The {sup 1}H T{sub 1}, T{sub 2}, and T{sub 1{rho}} relaxation times of samples thermally aged for various periods of time were determined as a function of NMR measurement temperature. The response of each measurement was calculated from a best-fit linear function of the relaxation time vs. aging time. It was found that the T{sub 2,H} and T{sub 1{rho},H} relaxation times exhibited the largest response to thermal degradation, whereas T{sub 1,H} showed minimal change. All of the NMR relaxation measurements on solid samples showed significantly less sensitivity to thermal aging than the T{sub 2,H} relaxation times of solvent-swollen samples.

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The microstructure and mechanical properties of niobium-modified lead zirconate titanate (PNZT) 95/5 ceramics, where 95/5 refers to the ratio of lead zirconate to lead titanate, were evaluated as a function of lead (Pb) stoichiometry. Chemically-prepared PNZT 95/5 is produced at Sandia National Laboratories by the Ceramics and Glass Processing Department (14154) for use as voltage elements in ferroelectric neutron generator power supplies. PNZT 95/5 was prepared according to the nominal formulation of Pb{sub 0.991+x}(Zr{sub 0.955}Ti{sub 0.045}){sub 0.982}Nb{sub 0.018}O{sub 3+x}, where x (-0.0274 {approx}< x {approx}< 0.0297) refers to the mole fraction of Pb and O that deviated from the stoichiometric value. The Pb concentrations were determined from calcined powders; no adjustments were made to Pb compositions due to weight loss during sintering. The microstructure (second phases, fracture mode and grain size) varied appreciably with Pb stoichiometry, whereas the mechanical properties (hardness, fracture toughness, strength and Weibull parameters) exhibited modest variation. Specimens deficient in Pb, 2.74% (x = -0.0274) and 2.15% (x = -0.02150), had a high area fraction of a zirconia (ZrO{sub 2}) second phase on the order of 0.02. As the Pb content in solid solution increased the ZrO{sub 2} content decreased; no ZrO{sub 2} was observed for the specimen containing 2.97% excess Pb (x = 0.0297). Over the range of Pb stoichiometry most specimens fractured predominately transgranularly; however, 2.97% Pb excess PNZT 95/5 fractured predominately intergranularly. No systematic changes in hardness or Weibull modulus were observed as a function of Pb content. Fracture toughness decreased slightly from 1.8 MPa{center_dot}m{sup 1/2} for Pb deficient specimens to 1.6 MPa{center_dot}m{sup 1/2} for specimens with excess Pb. Although there are microstructural differences with changes in Pb content, the mechanical properties did not vary substantially. However, the average failure stress and fracture toughness for PNZT 95/5 containing 2.97% excess Pb decreased slightly. It is expected that additional increases in Pb content would result in further mechanical property degradation. The decrease in mechanical properties for the 2.97% Pb excess ceramics could be the result of a weaker PbO-rich grain boundary phase present in the material. If better mechanical properties are desired, it is recommended that PNZT 95/5 ceramics are processed by a method whereby any excess Pb is depleted from the final sintered ceramic so that near-stoichiometric values of Pb concentration are reached. Otherwise, a PbO-rich grain boundary phase may exist in the ceramic which could potentially be detrimental to the mechanical properties of PNZT 95/5 ceramics.

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This report represents the completion of a Laboratory-Directed Research and Development (LDRD) program to develop and fabricate geometric test structures for the measurement of transport properties in bulk GaN and AlGaN/GaN heterostructures. A large part of this study was spent examining fabrication issues related to the test structures used in these measurements, due to the fact that GaN processing is still in its infancy. One such issue had to do with surface passivation. Test samples without a surface passivation, often failed at electric fields below 50 kV/cm, due to surface breakdown. A silicon nitride passivation layer of approximately 200 nm was used to reduce the effects of surface states and premature surface breakdown. Another issue was finding quality contacts for the material, especially in the case of the AlGaN/GaN heterostructure samples. Poor contact performance in the heterostructures plagued the test structures with lower than expected velocities due to carrier injection from the contacts themselves. Using a titanium-rich ohmic contact reduced the contact resistance and stopped the carrier injection. The final test structures had an etch constriction with varying lengths and widths (8x2, 10x3, 12x3, 12x4, 15x5, and 16x4 {micro}m) and massive contacts. A pulsed voltage input and a four-point measurement in a 50 {Omega} environment was used to determine the current through and the voltage dropped across the constriction. From these measurements, the drift velocity as a function of the applied electric field was calculated and thus, the velocity-field characteristics in n-type bulk GaN and AlGaN/GaN test structures were determined. These measurements show an apparent saturation velocity near to 2.5x10{sup 7} cm/s at 180 kV/cm and 3.1x10{sup 7} cm/s, at a field of 140 kV/cm, for the bulk GaN and AlGaN heterostructure samples, respectively. These experimental drift velocities mark the highest velocities measured in these materials to date and confirm the predictions of previous theoretical models using ensemble Monte Carlo simulations.

The ability to precisely place nanomaterials at predetermined locations is necessary for realizing applications using these new materials. Using an organic template, we demonstrate directed growth of zinc oxide (ZnO) nanorods on silver films from aqueous solution. Spatial organization of ZnO nanorods in prescribed arbitrary patterns was achieved, with unprecedented control in selectivity, crystal orientation, and nucleation density. Surprisingly, we found that caboxylate endgroups of {omega}-alkanethiol molecules strongly inhibit ZnO nucleation. The mechanism for this observed selectivity is discussed.

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The first viscous compressible three-dimensional BiGlobal linear instability analysis of leading-edge boundary layer flow has been performed. Results have been obtained by independent application of asymptotic analysis and numerical solution of the appropriate partial-differential eigenvalue problem. It has been shown that the classification of three-dimensional linear instabilities of the related incompressible flow [13] into symmetric and antisymmetric mode expansions in the chordwise coordinate persists for compressible, subsonic flow-regime at sufficiently large Reynolds numbers.

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Techniques for mitigating the adsorption of {sup 137}Cs and {sup 60}Co on metal surfaces (e.g. RAM packages) exposed to contaminated water (e.g. spent-fuel pools) have been developed and experimentally verified. The techniques are also effective in removing some of the {sup 60}Co and {sup 137}Cs that may have been adsorbed on the surfaces after removal from the contaminated water. The principle for the {sup 137}Cs mitigation technique is based upon ion-exchange processes. In contrast, {sup 60}Co contamination primarily resides in minute particles of crud that become lodged on cask surfaces. Crud is an insoluble Fe-Ni-Cr oxide that forms colloidal-sized particles as reactor cooling systems corrode. Because of the similarity between Ni{sup 2+} and Co{sup 2+}, crud is able to scavenge and retain traces of cobalt as it forms. A number of organic compounds have a great specificity for combining with nickel and cobalt. Ongoing research is investigating the effectiveness of chemical complexing agent EDTA with regard to its ability to dissolve the host phase (crud) thereby liberating the entrained {sup 60}Co into a solution where it can be rinsed away.

The National Spent Nuclear Fuel Program, located at the Idaho National Laboratory (INL), coordinates and integrates national efforts in management and disposal of US Department of Energy (DOE)-owned spent nuclear fuel. These management functions include development of standardized systems for long-term disposal in the proposed Yucca Mountain repository. Nuclear criticality control measures are needed in these systems to avoid restrictive fissile loading limits because of the enrichment and total quantity of fissile material in some types of the DOE spent nuclear fuel. This need is being addressed by development of corrosion-resistant, neutron-absorbing structural alloys for nuclear criticality control. This paper outlines results of a metallurgical development program that is investigating the alloying of gadolinium into a nickel-chromium-molybdenum alloy matrix. Gadolinium has been chosen as the neutron absorption alloying element due to its high thermal neutron absorption cross section and low solubility in the expected repository environment. The nickel-chromium-molybdenum alloy family was chosen for its known corrosion performance, mechanical properties, and weldability. The workflow of this program includes chemical composition definition, primary and secondary melting studies, ingot conversion processes, properties testing, and national consensus codes and standards work. The microstructural investigation of these alloys shows that the gadolinium addition is present in the alloy as a gadolinium-rich second phase. The mechanical strength values are similar to those expected for commercial Ni-Cr-Mo alloys. The alloys have been corrosion tested with acceptable results. The initial results of weldability tests have also been acceptable. Neutronic testing in a moderated critical array has generated favorable results. An American Society for Testing and Materials material specification has been issued for the alloy and a Code Case has been submitted to the American Society of Mechanical Engineers for code qualification.

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This report describes work carried out under a Sandia National Laboratories Excellence in Engineering Fellowship in the Department of Electrical and Computer Engineering at the University of Illinois at Urbana-Champaign. Our research group (at UIUC) is developing a intelligent robot, and attempting to teach it language. While there are many aspects of this research, for the purposes of this report the most important are the following ideas. Language is primarily based on semantics, not syntax. To truly learn meaning, the language engine must be part of an embodied intelligent system, one capable of using associative learning to form concepts from the perception of experiences in the world, and further capable of manipulating those concepts symbolically. In the work described here, we explore the use of hidden Markov models (HMMs) in this capacity. HMMs are capable of automatically learning and extracting the underlying structure of continuous-valued inputs and representing that structure in the states of the model. These states can then be treated as symbolic representations of the inputs. We describe a composite model consisting of a cascade of HMMs that can be embedded in a small mobile robot and used to learn correlations among sensory inputs to create symbolic concepts. These symbols can then be manipulated linguistically and used for decision making. This is the project final report for the University Collaboration LDRD project, 'A Robotic Framework for Semantic Concept Learning'.

Finding the central sets, such as center and median sets, of a network topology is a fundamental step in the design and analysis of complex distributed systems. This paper presents distributed synchronous algorithms for finding central sets in general tree structures. Our algorithms are distinguished from previous work in that they take only qualitative information, thus reducing the constants hidden in the asymptotic notation, and all vertices of the topology know the central sets upon their termination.

Extremely short collision mean free paths and near-singular elastic and inelastic differential cross sections (DCS) make analog Monte Carlo simulation an impractical tool for charged particle transport. The widely used alternative, the condensed history method, while efficient, also suffers from several limitations arising from the use of precomputed smooth distributions for sampling. There is much interest in developing computationally efficient algorithms that implement the correct transport mechanics. Here we present a nonanalog transport-based method that incorporates the correct transport mechanics and is computationally efficient for implementation in single event Monte Carlo codes. Our method systematically preserves important physics and is mathematically rigorous. It builds on higher order Fokker-Planck and Boltzmann Fokker-Planck representations of the scattering and energy-loss process, and we accordingly refer to it as a Generalized Boltzmann Fokker-Planck (GBFP) approach. We postulate the existence of nonanalog single collision scattering and energy-loss distributions (differential cross sections) and impose the constraint that the first few momentum transfer and energy loss moments be identical to corresponding analog values. This is effected through a decomposition or hybridizing scheme wherein the singular forward peaked, small energy-transfer collisions are isolated and de-singularized using different moment-preserving strategies, while the large angle, large energy-transfer collisions are described by the exact (analog) DCS or approximated to a high degree of accuracy. The inclusion of the latter component allows the higher angle and energy-loss moments to be accurately captured. This procedure yields a regularized transport model characterized by longer mean free paths and smoother scattering and energy transfer kernels than analog. In practice, acceptable accuracy is achieved with two rigorously preserved moments, but accuracy can be systematically increased to analog level by preserving successively higher moments with almost no change to the algorithm. Details of specific moment-preserving strategies will be described and results presented for dose in heterogeneous media due to a pencil beam and a line source of monoenergetic electrons. Error and runtimes of our nonanalog formulations will be contrasted against condensed history implementations.

The efficiency of neuronal encoding in sensory and motor systems has been proposed as a first principle governing response properties within the central nervous system. We present a continuation of a theoretical study presented by Zhang and Sejnowski, where the influence of neuronal tuning properties on encoding accuracy is analyzed using information theory. When a finite stimulus space is considered, we show that the encoding accuracy improves with narrow tuning for one- and two-dimensional stimuli. For three dimensions and higher, there is an optimal tuning width.

Human behavior is a function of an iterative interaction between the stimulus environment and past experience. It is not simply a matter of the current stimulus environment activating the appropriate experience or rule from memory (e.g., if it is dark and I hear a strange noise outside, then I turn on the outside lights and investigate). Rather, it is a dynamic process that takes into account not only things one would generally do in a given situation, but things that have recently become known (e.g., there have recently been coyotes seen in the area and one is known to be rabid), as well as other immediate environmental characteristics (e.g., it is snowing outside, I know my dog is outside, I know the police are already outside, etc.). All of these factors combine to inform me of the most appropriate behavior for the situation. If it were the case that humans had a rule for every possible contingency, the amount of storage that would be required to enable us to fluidly deal with most situations we encounter would rapidly become biologically untenable. We can all deal with contingencies like the one above with fairly little effort, but if it isn't based on rules, what is it based on? The assertion of the Cognitive Systems program at Sandia for the past 5 years is that at the heart of this ability to effectively navigate the world is an ability to discriminate between different contexts (i.e., Dynamic Context Discrimination, or DCD). While this assertion in and of itself might not seem earthshaking, it is compelling that this ability and its components show up in a wide variety of paradigms across different subdisciplines in psychology. We begin by outlining, at a high functional level, the basic ideas of DCD. We then provide evidence from several different literatures and paradigms that support our assertion that DCD is a core aspect of cognitive functioning. Finally, we discuss DCD and the computational model that we have developed as an instantiation of DCD in more detail. Before commencing with our overview of DCD, we should note that DCD is not necessarily a theory in the classic sense. Rather, it is a description of cognitive functioning that seeks to unify highly similar findings across a wide variety of literatures. Further, we believe that such convergence warrants a central place in efforts to computationally emulate human cognition. That is, DCD is a general principle of cognition. It is also important to note that while we are drawing parallels across many literatures, these are functional parallels and are not necessarily structural ones. That is, we are not saying that the same neural pathways are involved in these phenomena. We are only saying that the different neural pathways that are responsible for the appearance of these various phenomena follow the same functional rules - the mechanisms are the same even if the physical parts are distinct. Furthermore, DCD is not a causal mechanism - it is an emergent property of the way the brain is constructed. DCD is the result of neurophysiology (cf. John, 2002, 2003). Finally, it is important to note that we are not proposing a generic learning mechanism such that one biological algorithm can account for all situation interpretation. Rather, we are pointing out that there are strikingly similar empirical results across a wide variety of disciplines that can be understood, in part, by similar cognitive processes. It is entirely possible, even assumed in some cases (i.e., primary language acquisition) that these more generic cognitive processes are complemented and constrained by various limits which may or may not be biological in nature (cf. Bates & Elman, 1996; Elman, in press).

Dual-frequency reactors employ source rf power supplies to generate plasma and bias supplies to extract ions. There is debate over choices for the source and bias frequencies. Higher frequencies facilitate plasma generation but their shorter wavelengths may cause spatial variations in plasma properties. Electrical nonlinearity of plasma sheaths causes harmonic generation and mixing of source and bias frequencies. These processes, and the resulting spectrum of frequencies, are as much dependent on electrical characteristics of matching networks and on chamber geometry as on plasma sheath properties. We investigated such electrical effects in a 300-mm Applied-Materials plasma reactor. Data were taken for 13.56-MHz bias frequency (chuck) and for source frequencies from 30 to 160 MHz (upper electrode). An rf-magnetic-field probe (B-dot loop) was used to measure the radial variation of fields inside the plasma. We will describe the results of this work.

A laser hazard analysis and safety assessment was performed for the LH-40 IR Laser Rangefinder based on the 2000 version of the American National Standard Institute's Standard Z136.1, for the Safe Use of Lasers and Z136.6, for the Safe Use of Lasers Outdoors. The LH-40 IR Laser is central to the Long Range Reconnaissance and Observation System (LORROS). The LORROS is being evaluated by the Department 4149 Group to determine its capability as a long-range assessment tool. The manufacture lists the laser rangefinder as 'eye safe' (Class 1 laser classified under the CDRH Compliance Guide for Laser Products and 21 CFR 1040 Laser Product Performance Standard). It was necessary that SNL validate this prior to its use involving the general public. A formal laser hazard analysis is presented for the typical mode of operation.

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This report surveys the needs associated with environmental monitoring and long-term environmental stewardship. Emerging sensor technologies are reviewed to identify compatible technologies for various environmental monitoring applications. The contaminants that are considered in this report are grouped into the following categories: (1) metals, (2) radioisotopes, (3) volatile organic compounds, and (4) biological contaminants. Regulatory drivers are evaluated for different applications (e.g., drinking water, storm water, pretreatment, and air emissions), and sensor requirements are derived from these regulatory metrics. Sensor capabilities are then summarized according to contaminant type, and the applicability of the different sensors to various environmental monitoring applications is discussed.

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This report describes both a general methodology and some specific examples of passive radio receivers. A passive radio receiver uses no direct electrical power but makes sole use of the power available in the radio spectrum. These radio receivers are suitable as low data-rate receivers or passive alerting devices for standard, high power radio receivers. Some zero-power radio architectures exhibit significant improvements in range with the addition of very low power amplifiers or signal processing electronics. These ultra-low power radios are also discussed and compared to the purely zero-power approaches.