Publications

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Shock wave compression of poled Pb{sub 0.99}(Zr{sub 0.95}Ti{sub 0.05}){sub 0.98}Nb{sub 0.02}O{sub 3} (PZT 95/5-2Nb) results in rapid depoling and release of bound charge. In the current study, planar-impact experiments with this material were conducted on a gas-gun facility to determine Hugoniot states, to examine constitutive mechanical properties during shock propagation, and to investigate shock-induced depoling characteristics. A previous article summarized results from the first two of these areas, and this article summarizes the depoling studies. A baseline material, similar to materials used in previous studies, was examined in detail. More limited experiments were conducted with other materials to investigate the effects of different porous microstructures. Experiments were conducted over a wide range of conditions in order to examine the effects of varying shock strength, poling orientation, input wave shape, electric field strength, porous microstructure at a fixed density, and initial density. Depoling currents were recorded in an external circuit under either short-circuit or high-field conditions, and provide a convenient means of examining the kinetics associated with the ferroelectric-to-antiferroelectric phase transition. For sufficiently strong shock waves, the measured short-circuit currents indicate that the phase transition is very rapid and essentially complete. As shock strengths are reduced, short-circuit currents show increasing rise times and decreasing final levels at the end of shock transit. These features indicate that the transition kinetics can be characterized in terms of both a transition rate and a limiting degree of transition achieved in a given shock experiment. The presence of a strong electric field does not appear to have a significant effect on transition kinetics at high shock stresses, but has a strong effect at low stresses. As was found for constitutive mechanical properties, only small effects on measured currents resulted from differences in the porous microstructure of common-density materials, but large effects were observed when initial density was varied. To examine transition kinetics in more detail, short-circuit currents obtained with the baseline material and several approximate methods were used to estimate values for the rate and degree of transition as functions of shock properties. Differences between these currents and currents measured in high-field experiments using the same impact conditions were used to examine field effects on transition kinetics and corresponding dielectric properties.

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The physical and welding a metallurgy of gadolinium- (Gd-) enriched Ni-based alloys has been examined using a combination of differential thermal analysis, hot ductility testing. Varestraint testing, and various microstructural characterization techniques. Three different matrix compositions were chosen that were similar to commercial Ni-Cr-Mo base alloys (UNS N06455, N06022, and N06059). A ternary Ni-Cr-Gd alloy was also examined. The Gd level of each alloy was {approx}2 wt-%. All the alloys initiated solidification by formation of primary austenite and terminated solidification by a Liquid {gamma} + Ni{sub 5}Gd eutectic-type reaction at {approx}1270 C. The solidification temperature ranges of the alloys varied from {approx}100 to 130 C (depending on alloy composition). This is a substantial reduction compared to the solidification temperature range to Gd-enriched stainless steels (360 to 400 C) that terminate solidification by a peritectic reaction at {approx}1060 C. The higher-temperature eutectic reaction that occurs in the Ni-based alloys is accompanied by significant improvements in hot ductility and solidification cracking resistance. The results of this research demonstrate that Gd-enriched Ni-based alloys are excellent candidate materials for nuclear criticality control in spent nuclear fuel storage applications that require production and fabrication of large amounts of material through conventional ingot metallurgy and fusion welding techniques.

Atomistic simulations were performed to investigate high temperature wetting phenomena for metals. A sessile drop configuration was modeled for two systems: Ag(l) on Cu and Pb(l) on Cu. The former case is an eutectic binary and the wetting kinetics were greatly enhanced by the presence of aggressive interdiffusion between Ag and Cu. Wetting kinetics were directly dependent upon dissolution kinetics. The dissolution rate was nearly identical for Ag(l) on Cu(100) compared to Cu(111); as such, the spreading rate was very similar on both surfaces. Pb and Cu are bulk immiscible so spreading of Pb(l) on Cu occurred in the absence of significant substrate dissolution. For Pb(l) on Cu(111) a precursor wetting film of atomic thickness emerged from the partially wetting liquid drop and rapidly covered the surface. For Pb(l) on Cu(100), a foot was also observed to emerge from a partially wetting drop; however, spreading kinetics were dramatically slower for Pb(l) on Cu(100) than on Cu(111). For the former, a surface alloying reaction was observed to occur as the liquid wet the surface. The alloying reaction was associated with dramatically decreased wetting kinetics on Cu(100) versus Cu(111), where no alloying was observed. These two cases demonstrate markedly different atomistic mechanisms of wetting where, for Ag(l) on Cu, the dissolution reaction is associated with increased wetting kinetics while, for Pb(l) on Cu, the surface alloying reaction is associated with decreased wetting kinetics.

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The force on and the heat flux to the NASA Mars Reconnaissance Orbiter (MRO) during drag passes are analyzed. Aerobraking takes place in the higher/rarefied levels of the Martian atmosphere, where traditional continuum flui d dynamics methods cannot be applied. Therefore, molecular gas dynamics simulations such as the Direct Simulation Monte Carlo Method are used to calculate these flow fields and provide heating and aerodynamic predictions for the vehicles. The heating and aerodynamic predictions calculated for the MRO include the heat transfer coefficient (C{sub h}), calculated for a number of angles of attack and the drag coefficient (C{sub D}) calculated for a number of altitudes and velocities. Bridging relations are sought that are applicable over the range of conditions of interest. A sensitivity analysis of the results to the chemical reaction rates, surface accommodation and temperature is also performed.

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This reports tabulates the Test and Evaluation results of the Access Class Switch tests conducted by members of Department 9336. About 15 switches were reviewed for use in the enterprise network as access tier switches as defined in a three tier architecture. The Access Switch Tier has several functions including: aggregate customer desktop ports, preserve and apply QoS tags, provide switched LAN access, provide VLAN assignment, as well as others. The typical switch size is 48 or less user ports. The evaluation team reviewed network switch evaluation reports from the Tolly Group as well as other sources. We then used these reports as a starting point to identify particular switches for evaluation. In general we reviewed the products of dominant equipment manufacturers. Also, based on architectural design requirements, the majority of the switches tested were of relatively small monolithic unit variety.

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The effects of ruffling on the axial ligation properties of a series of nickel(II) tetra(alkyl)porphyrins have been investigated with UV-visible absorption spectroscopy, resonance Raman spectroscopy, X-ray crystallography, classical molecular mechanics calculations, and normal-coordinate structural decomposition analysis. For the modestly nonplanar porphyrins, porphyrin ruffling is found to cause a decrease in binding affinity for pyrrolidine and piperidine, mainly caused by a decrease in the binding constant for addition of the first axial ligand; ligand binding is completely inhibited for the more nonplanar porphyrins. The lowered affinity, resulting from the large energies required to expand the core and flatten the porphyrin to accommodate the large high-spin nickel(II) ion, has implications for nickel porphyrin-based molecular devices and the function of heme proteins and methyl-coenzyme M reductase.

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{sup 13}CH{sub 4} was injected with a toroidally-symmetric gas system into 22 identical lower-single-null L-mode discharges on DIII-D. The injection level was adjusted so that it did not significantly perturb the core or divertor plasmas, with a duration of {approx}3 s on each shot, for a total of {approx}300 T L of injected particles. The plasma shape remained very constant; the divertor strike points were controlled to {approx}1 cm at the divertor plate. At the beginning of the subsequent machine vent, 29 carbon tiles were removed for nuclear reaction analysis of {sup 13}C content to determine regions of carbon deposition. It was found that only the tiles inboard of the inner strike point had appreciable {sup 13}C above background. Visible spectroscopy measurements of the carbon injection and comparisons with modeling are consistent with carbon transport by means of scrape-off layer flow.

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The objective of this research was the development of tools and techniques for the identification of critical nodes within critical infrastructures. These are nodes that, if disrupted through natural events or terrorist action, would cause the most widespread, immediate damage. This research focuses on one particular element of the national infrastructure: the bulk power system. Through the identification of critical elements and the quantification of the consequences of their failure, site-specific vulnerability analyses can be focused at those locations where additional security measures could be effectively implemented. In particular, with appropriate sizing and placement within the grid, distributed generation in the form of regional power parks may reduce or even prevent the impact of widespread network power outages. Even without additional security measures, increased awareness of sensitive power grid locations can provide a basis for more effective national, state and local emergency planning. A number of methods for identifying critical nodes were investigated: small-world (or network theory), polyhedral dynamics, and an artificial intelligence-based search method - particle swarm optimization. PSO was found to be the only viable approach and was applied to a variety of industry accepted test networks to validate the ability of the approach to identify sets of critical nodes. The approach was coded in a software package called Buzzard and integrated with a traditional power flow code. A number of industry accepted test networks were employed to validate the approach. The techniques (and software) are not unique to power grid network, but could be applied to a variety of complex, interacting infrastructures.

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In this article we report on the electrical characteristics of single wall carbon nanotubes (SWCNTs) wrapped with single-stranded deoxyribonucleic acid (ssDNA). We fabricate these devices using a solution-based method whereby SWCNTs are dispersed in aqueous solution using 20-mer ssDNA, and are placed across pairs of Au electrodes using alternating current dielectrophoresis (ACDEP). In addition to current voltage characteristics, we evaluate our devices using scanning electron microscopy and atomic force microscopy. We find that ACDEP with ssDNA based suspensions results in individual SWCNTs bridging metal electrodes, free of carbon debris, while similar devices prepared using the Triton X-100 surfactant yield nanotube bundles, and frequently have carbon debris attached to the nanotubes. Furthermore, the presence of ssDNA around the nanotubes does not appear to appreciably affect the overall electrical characteristics of the devices. In addition to comparing the properties of several devices prepared on nominally clean Au electrodes, we also investigate the effects of self-assembled monolayers of C{sub 14}H{sub 29}-SH alkyl thiol and benzyl mercaptan on the adhesion and electrical transport across the metal/SWCNT/metal devices.

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The Sandia National Laboratories Nuclear Weapons Strategic Management Unit (NWSMU) is pursuing performance excellence, by focusing on compliance with the ISO 9001:2000 standard for quality management systems. The NWSMU also intends to achieve ISO Certification and eventually reach levels of performance excellence that are consistent with those of Malcolm Baldrige National Quality Award winners. In that context, this report documents a study undertaken to answer these questions: {sm_bullet} Would achieving ISO 9001:2000 compliance or certification help an organization prepare to achieve Baldrige-level performance excellence? {sm_bullet} Would pursuing Baldrige-based performance excellence help an organization achieve ISO certification? {sm_bullet} What are the areas where the Baldrige and ISO systems are most closely aligned? The study produced answers to those questions, as well as a number of comparisons and contrasts between the ISO standard and the Baldrige criteria.

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Laser-induced fluorescence-dip spectroscopy was used to measure two-dimensional (2-D) maps of the electric field present in an argon discharge above a ratio frequency-powered, nonuniform surface. Electric fields were obtained from experimentally measured Stark shifts of the energy of argon Rydberg states. The 2-D maps of the electric fields demonstrated that nonuniformities present on an electrode have long-range effects on the structure of the sheath.

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We performed molecular dynamics simulations of chain systems to investigate general relationships between the system mobility and computed scalar quantities. Three quantities were found that had a simple one-to-one relationship with mobility: packing fraction, potential energy density, and the value of the static structure factor at the first peak. The chain center-of-mass mobility as a function of these three quantities could be described equally well by either a Vogel-Fulcher type or a power law equation.

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Percolation theory is now standard in the analysis of polycrystalline materials where the grain boundaries can be divided into two distinct classes, namely 'good' boundaries that have favorable properties and 'bad' boundaries that seriously degrade the material performance. Grain-boundary engineering (GBE) strives to improve material behavior by engineering the volume fraction c and arrangement of good grain boundaries. Two key percolative processes in GBE materials are the onset of percolation of a strongly connected aggregate of grains, and the onset of a connected path of weak grain boundaries. Using realistic polycrystalline microstructures, we find that in two dimensions the threshold for strong aggregate percolation c{sub SAP} and the threshold for weak boundary percolation c{sub WBP} are equivalent and have the value c{sub SAP} = c{sub WBP} = 0.38(1), which is slightly higher than the threshold found for regular hexagonal grain structures, c{sub RH} = 2 sin({pi}/18) = 0.347. In three dimensions strong aggregate percolation and weak boundary percolation occur at different locations and we find c{sub SAP} = 0.12(3) and c{sub WBP} = 0.77(3). The critical current in high T{sub c} materials and the cohesive energy in structural systems are related to the critical manifold problem in statistical physics. We develop a theory of critical manifolds in GBE materials, which has three distinct regimes: (1) low concentrations, where random manifold theory applies, (2) critical concentrations where percolative scaling theory applies, and (3) high concentrations, c > c{sub SAP}, where the theory of periodic elastic media applies. Regime (3) is perhaps most important practically and is characterized by a critical length L{sub c}, which is the size of cleavage regions on the critical manifold. In the limit of high contrast {open_square} {yields} 0, we find that in two dimensions L{sub c} {proportional_to} gc/(1-c), while in three dimensions L{sub c} {proportional_to} g exp[b{sub 0}c/(1-c)]/[c(1-c)]{sup 1/2}, where g is the average grain size, {open_square} is the ratio of the bonding energy of the weak boundaries to that of the strong boundaries, and b{sub 0} is a constant which is of order 1. Many of the properties of GBE materials can be related to L{sub c}, which diverges algebraically on approach to c=1 in two dimensions, but diverges exponentially in that limit in three dimensions. We emphasize that GBE percolation processes and critical manifold behavior are very different in two dimensions as compared to three dimensions. For this reason, the use of two dimensional models to understand the behavior of bulk GBE materials can be misleading.

This report documents the calculation of radionuclide content in the pressurized water reactor (PWR) spent fuel samples planned for use in the Spent Fuel Ratio (SPR) Experiments at Sandia National Laboratories, Albuquerque, New Mexico (SNL) to aid in experiment planning. The calculation methods using the ORIGEN2 and ORIGEN-ARP computer codes and the input modeling of the planned PWR spent fuel from the H. B. Robinson and the Surry nuclear power plants are discussed. The safety hazards for the calculated nuclide inventories in the spent fuel samples are characterized by the potential airborne dose and by the portion of the nuclear facility hazard category 2 and 3 thresholds that the experiment samples would present. In addition, the gamma ray photon energy source for the nuclide inventories is tabulated to facilitate subsequent calculation of the direct and shielded dose rates expected from the samples. The relative hazards of the high burnup 72 gigawatt-day per metric ton of uranium (GWd/MTU) spent fuel from H. B. Robinson and the medium burnup 36 GWd/MTU spent fuel from Surry are compared against a parametric calculation of various fuel burnups to assess the potential for higher hazard PWR fuel samples.

Two-dimensional maps of the sheath electric fields formed around a metal-dielectric interface were measured in a radio frequency (rf) argon plasma using laser-induced fluorescence-dip spectroscopy. Experimentally determined Stark shifts of the argon Rydberg 13d[3/2]1 state were used to quantify the electric fields in the sheath as functions of the rf cycle, voltage, and pressure. Both the structure of the sheath fields and the discharge characteristics in the region above the electrode depend on the discharge conditions and the configuration of the surface. Dissimilar materials placed adjacent to each other result in electric fields with a component parallel to the electrode surface.

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Rare earth doped yttrium oxide (yttria) and silicate, Y{sub 2}O{sub 3}:Eu and Y{sub 2}SiO{sub 5}:Tb, are the most promising phosphors for advanced devices such as flat panel field-emission-displays. However, their light yield for electron excitation has proven to be lower than that predicted by early models. New experimental data are needed to improve the theoretical understanding of the cathodoluminescence (CL) that will, in turn, lead to materials that are significantly brighter. Beside the existing CL and photo luminescence (PL) measurements, one can provide new information by studying ion-induced luminescence (IL). Ions penetrate substantially deeper than electrons and their light yield should therefore not depend on surface effects. Moreover, the energy density released by ions can be much higher than that of electrons and photons, which results in possible saturation effects, further testing the adequacy of models. We exposed the above yttrium compounds to three ion beams, H (3 MeV), C (20 MeV), Cu (50 MeV), which have substantially different electronic stopping powers. H was selected to provide an excitation close to CL, but without surface effects. The C and Cu allowed an evaluation of saturation effects because of their higher stopping powers. The IL experiments involved measuring the transient light intensity signal radiating from thin phosphor layers following their exposure to {approx}200 ns ion beam pulses. We present the transient yield curves for the two materials and discuss a general model for this behavior.

The plastic behavior of crystalline materials is mainly controlled by the nucleation and motion of lattice dislocations. We report in situ dynamic transmission electron microscope observations of nanocrystalline nickel films with an average grain size of about 10 nanometers, which show that grain boundary-mediated processes have become a prominent deformation mode. Additionally, trapped lattice dislocations are observed in individual grains following deformation. This change in the deformation mode arises from the grain size-dependent competition between the deformation controlled by nucleation and motion of dislocations and the deformation controlled by diffusion-assisted grain boundary processes.

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In complex simulation systems where humans interact with computer-generated agents, information display and the interplay of virtual agents have become dominant media and modalities of interface design. This design strategy is reflected in augmented reality (AR), an environment where humans interact with computer-generated agents in real-time. AR systems can generate large amount of information, multiple solutions in less time, and perform far better in time-constrained problem solving. The capabilities of AR have been leveraged to augment cognition in human information processing. In this sort of augmented cognition (AC) work system, while technology has become the main source for information acquisition from the environment, the human sensory and memory capacities have failed to cope with the magnitude and scale of information they encounter. This situation generates opportunity for excessive cognitive workloads, a major factor in degraded human performance. From the human effectiveness point of view, research is needed to develop, model, and validate simulation tools that can measure the effectiveness of an AR technology used to support the amplification of human cognition. These tools will allow us to predict human performance for tasks executed under an AC tool construct. This paper presents an exploration of ergonomics issues relevant to AR and AC systems design. Additionally, proposed research to investigate those ergonomic issues is discussed.

By using a multipole-conformal mapping expansion for the wire currents we examine the accuracy of approximations for the transfer inductance of a one dimensional array of wires (wire grid). A simple uniform fit is constructed by introduction of the decay factor from bipolar coordinates into existing formulas for this inductance.