Publications

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Network intrusion detection systems (NIDS) are critical network security tools that help protect computer installations from malicious users. Traditional software-based NIDS architectures are becoming strained as network data rates increase and attacks intensify in volume and complexity. In recent years, researchers have proposed using FPGAs to perform the computationally-intensive components of intrusion detection analysis. In this work, we present a new NIDS architecture that integrates the network interface hardware and packet analysis hardware into a single FPGA chip. This integration enables a higher performance and more flexible NIDS platform. To demonstrate the benefits of this technique, we have implemented a complete and functional NIDS in a Xilinx Virtex II Pro FPGA that performs in-line packet analysis and filtering on multiple Gigabit Ethernet links using rules from the open-source Snort attack database. © 2006 Taylor & Francis Group, LLC.

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Many problems in science and engineering require the solution of a long sequence of slowly changing linear systems. We propose and analyze two methods that significantly reduce the total number of matrix-vector products required to solve all systems. We consider the general case where both the matrix and right-hand side change, and we make no assumptions regarding the change in the right-hand sides. Furthermore, we consider general nonsingular matrices, and we do not assume that all matrices are pairwise close or that the sequence of matrices converges to a particular matrix. Our methods work well under these general assumptions, and hence form a significant advancement with respect to related work in this area. We can reduce the cost of solving subsequent systems in the sequence by recycling selected subspaces generated for previous systems. We consider two approaches that allow for the continuous improvement of the recycled subspace at low cost. We consider both Hermitian and non-Hermitian problems, and we analyze our algorithms both theoretically and numerically to illustrate the effects of subspace recycling. We also demonstrate the effectiveness of our algorithms for a range of applications from computational mechanics, materials science, and computational physics. © 2006 Society for Industrial and Applied Mathematics.

We discuss computing first derivatives for models based on elements, such as large-scale finite-element PDE discretizations, implemented in the C++ programming language. We use a hybrid technique of automatic differentiation (AD) and manual assembly, with local element-level derivatives computed via AD and manually summed into the global derivative. C++ templating and operator overloading work well for both forward- and reverse-mode derivative computations. We found that AD derivative computations compared favorably in time to finite differencing for a scalable finite-element discretization of a convection-diffusion problem in two dimensions. © Springer-Verlag Berlin Heidelberg 2006.

Microsystems are potentially exposed to laser irradiation during processing, diagnostic measurements, and, in some cases, device operation. The behavior of the components in an optical MEMS device that are irradiated by a laser needs to be optimized for reliable operation. Utilizing numerical simulations facilitates design and optimization. This paper reports on experimental and numerical investigations of the thermomechanical response of polycrystalline silicon microcantilevers that are 250 {micro}m wide, 500 {micro}m long, and 2.25 {micro}m thick when heated by an 808 nm laser. At laser powers above 400 mW significant deflection is observed during the laser pulse using a white light interferometer. Permanent deformation is detected at laser powers above 650 mW in the experiments. Numerical calculations using a coupled physics finite element code, Calagio, agree qualitatively with the experimental results. Both the experimental and numerical results reveal that the initial stress state is very significant. Microcantilevers deflect in the direction of their initial deformation upon irradiation with a laser.

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We have investigated the valley splitting of two-dimensional electrons in high-quality Si/Si{sub 1-x}Ge{sub x} heterostructures under tilted magnetic fields. For all the samples in our study, the valley splitting at filling factor {nu} = 3 ({Delta}{sub 3}) is significantly different before and after the coincidence angle, at which energy levels cross at the Fermi level. On both sides of the coincidence, a linear dependence of {Delta}{sub 3} on the electron density was observed, while the slope of these two configurations differs by more than a factor of 2. We argue that screening of the Coulomb interaction from the low-lying filled levels, which also explains the observed spin-dependent resistivity, is responsible for the large difference of {Delta}{sub 3} before and after the coincidence.

Electrical contacts to semiconductors play a key role in electronics. For nanoscale electronic devices, particularly those employing novel low-dimensionality materials, contacts are expected to play an even more important role. Here we show that for quasi-one-dimensional structures such as nanotubes and nanowires, side contact with the metal only leads to weak band re-alignment, in contrast to bulk metal-semiconductor contacts. Schottky barriers are much reduced compared with the bulk limit, and should facilitate the formation of good contacts. However, the conventional strategy of heavily doping the semiconductor to obtain ohmic contacts breaks down as the nanowire diameter is reduced. The issue of Fermi level pinning is also discussed, and it is demonstrated that the unique density of states of quasi-one-dimensional structures make them less sensitive to this effect. Our results agree with recent experimental work, and should apply to a broad range of quasi-one-dimensional materials.

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Surfpack is a general-purpose software library of multidimensional function approximation methods for applications such as data visualization, data mining, sensitivity analysis, uncertainty quantification, and numerical optimization. Surfpack is primarily intended for use on sparse, irregularly-spaced, n-dimensional data sets where classical function approximation methods are not applicable. Surfpack is under development at Sandia National Laboratories, with a public release of Surfpack version 1.0 in August 2006. This paper provides an overview of Surfpack's function approximation methods along with some of its software design attributes. In addition, this paper provides some simple examples to illustrate the utility of Surfpack for data trend analysis, data visualization, and optimization. Copyright © 2006 by the American Institute of Aeronautics and Astronautics, Inc.

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In evaluating new high-speed network interfaces, the usual metrics of latency and bandwidth are commonly measured and reported. There are numerous other message passing characteristics that can have a dramatic effect on application performance that should be analyzed when evaluating a new interconnect. One such metric is overhead, which dictates the networks ability to allow the application to perform non-message passing work while a transfer is taking place. A method for measuring overhead, and hence calculating application availability, is presented. Results for several next-generation network interfaces are also presented. © Springer-Verlag Berlin Heidelberg 2006.

The development and verification of a one-dimensional constant density material thermal response code with ablation is presented. The implicit time integrator, control volume finite element spatial discretization, and Newton's method for nonlinear iteration on the entire system of equations have been implemented and verified for variable material properties, Q* ablation, and thermochemical ablation problems. Timing studies were performed, and when accuracy is considered the method developed in this study exhibits significant time savings over the property lagging approach. In addition, maximizing the Newton solver's convergence rate by including sensitivities to the surface recession rate reduces the overall computational time when compared to excluding recession rate sensitivites.

As the specimen gets smaller and thinner, traditional strain measurement method using the strain gage is impossible. In this paper, the strain is measured using non-contact laser interferometry method. Two markers are placed on the LIGA specimens along the loading direction to reflect the laser beams to generate the interferometric fringe patterns. The markers are generated using micro-hardness indentation for the LIGA specimens. A pair of CCD cameras is used to capture the interferometric fringes during each step of the loading along the longitudinal direction. Fast Fourier Transform (FFT) is then applied to calculate the frequency and phase shift of the fringes. The displacement and strain can be obtained from the phase shift of the fringe pattern. This ISDG strain measurement technique is further developed by using multi markers to obtain fringes during the whole loading when the specimen undergoes larger motion. Biaxial strain measurement using ISDG is also developed to obtain both Young's modulus and Poisson's ratio simultaneously. A third marker is located orthogonal to the first pair of markers along the loading direction. Two pairs of CCD cameras are used to acquire the digital images of the interferometric fringes patterns along both longitudinal and transverse directions. The stress-strain curves as well as the material properties are very consistent from the different tests using ISDG. Copyright © 2006 by ASME.

The telecommunication network is recognized by the federal government as one of the critical national infrastructures that must be maintained and protected against debilitating attacks. We have previously shown how failures in the telecommunication network can quickly lead to telecommunication congestion and to extended delays in successful call completion. However, even if the telecom network remains fully operational, the special telecommunication demands that materialize at times of emergencies, and dynamically change based on subscriber behavior, can also adversely affect the performance of the overall telecommunication network. The Network Simulation Modeling and Analysis Research Tool (N-SMART) has been developed by Bell Labs as part of its work with the National Infrastructure Simulation and Analysis Center. This center is a joint program at Sandia National Laboratories and Los Alamos National Laboratory, funded and managed by the Department of Homeland Security's (DHS) Preparedness Directorate. N-SMART is a discrete event (call level) telecom model that simulates capacities, blocking levels, retrials, and time to complete calls for both wireline and wireless networks. N-SMART supports the capability of simulating subscriber reattempt behaviour under various scenarios. Using this capability we show how the network can be adversely impacted by sudden changes in subscriber behavior. We also explore potential solutions and ways of mitigating those impacts.

Micromirrors arrays can be used to correct residual wavefront aberrations in certain optical systems. The ability to correct Zernike aberrations using arrays of pistononly and arrays of piston-tip-tilt micromirror arrays are compared. Our micromirror fabrication program is discussed. © 2006 Optical Society of America.

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A particle filter based algorithm was developed to track vehicles in a network of roads under the assumption of sporadic and non-persistent sensor data. It is assumed we have a number of sensors that provide position and velocity information only, which are scattered at possibly uneven intervals throughout the road system of interest. Further, the sensor ranges do not overlap, meaning we do not have constant eyes on target. The algorithm was based on the particle filter, but differed from the classical particle filter in two fundamental ways. First, particle weights are not used. Instead, a correspondence function is calculated only when a sensor is tripped, giving weight to the validity of the sensor report. Potentially this results in a computational savings. Second, we do not periodically resample particles. Results demonstrate the approach can effectively track multiple targets in simulations with sparse surveillance. © 2006 IEEE.

We report a novel means of fractionating proteins based on their voltage-dependent electromigration through nanopores of a polymer membrane. The nanoporous membranes were fabricated in situ in channels of a microchip using photopolymerization. The pores (1-10 nm) are small enough that proteins are excluded from passage with low applied electric fields, but increasing the field enables proteins to pass through. The magnitude of field required for a change in exclusion behavior is protein-specific with a correlation to protein size. Passage of proteins through the pores at higher field strengths could be attributed to partial unfolding or deformation of proteins due to the driving force of the applied field. The field-dependent exclusion mechanism could be useful as a multifaceted fractionation tool with single membranes or a network of membranes. Another exciting possibility is characterizing protein conformation, folding and stability based on field-dependent transport through nanopores. © 2006 Society for Chemistry and Micro-Nano Systems.

Optical actuation is a necessity for the development of all-optical MEMS devices. Optically-powered actuators relying on a photothermal process are limited by overheating and structural damage resulting from the absorption of laser power. Surface micromachined polycrystalline silicon (polysilicon) optical actuators, powered using an 808 nm continuous wave laser, were evaluated for displacement performance and susceptibility to damage. The tested actuators were of a flexure-type design fabricated from either a single 2.25 μm polysilicon layer or a 4.5 μm polysilicon laminate layer, and in three different designs. Displacement of the actuators was linear with power for all tested designs for powers below those that cause damage to the irradiated surface. Maximum displacement observed was in the 7-9 μm range regardless of actuator design. After surface damage is initiated, displacement of the actuator during irradiation recedes in all actuators, with actuators with a 50 μm-wide target surface exhibiting complete recession in their displacement. The return position of the actuators after the irradiated surface has damaged also exhibits recession on the order of 4-5 μm for surfaces damaged with up to 650 mW. Exposing the actuator surfaces to longer irradiation times had no effect on the displacement if the surface had no damage, but resulted in regression of the displacement as the irradiation time increased if the surface had preexisting damage. Copyright © 2006 by ASME.

Surfpack is a general-purpose software library of multidimensional function approximation methods for applications such as data visualization, data mining, sensitivity analysis, uncertainty quantification, and numerical optimization. Surfpack is primarily intended for use on sparse, irregularly-spaced, n-dimensional data sets where classical function approximation methods are not applicable. Surfpack is under development at Sandia National Laboratories, with a public release of Surfpack version 1.0 in August 2006. This paper provides an overview of Surfpack's function approximation methods along with some of its software design attributes. In addition, this paper provides some simple examples to illustrate the utility of Surfpack for data trend analysis, data visualization, and optimization. Copyright © 2006 by the American Institute of Aeronautics and Astronautics, Inc.

Optical microswitches are being developed for use in communication and security systems because of their small size and fast response time. However, as the intensity of the light incident on the microswitches increases, the thermal and mechanical responses of the reflective surfaces are becoming a concern. It is important to dissipate heat adequately and to minimize any deformation on the reflective surfaces. To understand the mechanical responses of these microswitches, a set of microstructures have been fabricated and tested to evaluate how the surfaces deform when irradiated with a high-intensity laser beam. To evaluate and further investigate the experimental findings, the coupled physical analysis tool, Calagio, has been applied to simulate the mechanical behavior of these test structures when they are optically heated. Code prediction of the surface displacement will be compared against measurement. Our main objective is to assess the existing material models and our code predictive capability so that it will be used to qualify the performance of microswitches being developed.

The fluid physics of splashing, spreading, and dispersion of a large-scale water droplet is investigated both experimentally and with model simulation. Several new phenomena of the droplet impact beyond conventional Rayleigh-Taylor instability theory are reported. First, our experimental data show that the number of fingers or instabilities along the spreading rim cannot be predicted by Allen's (1975) Rayleigh-Taylor equation. Second, we report that the surrounding medium (air) along with impact angle and droplet shape upon impact affect ejection velocity and splashing. Finally, the fundamental instability of the finger formation along the spreading rim may be due to interactions initiated by the compressed and displaced air, rather than the spreading of the liquid decelerating through the air. Several important correlations between the droplet impact velocities, the amount of spray ejected, the spray ejection speed, and the number of fingers or instabilities are presented. Copyright © 2006 by ASME.

The responses of micro-cantilever beams, with lengths ranging from 100-1500 microns, have been found to exhibit nonlinear dynamic characteristics at very low vibration amplitudes and in near vacuum. This work seeks to find a functional form for the nonlinear forces acting on the beams in order to aide in identifying their cause. In this paper, the restoring force surface method is used to non-parametrically identify the nonlinear forces acting on a 200 micron long beam. The beam response to sinusoidal excitation contains as many as 19 significant harmonics within the measurement bandwidth. The nonlinear forces on the beam are found to be oscillatory and to depend on the beam velocity. A piecewise linear curve is fit to the response in order to more easily compare the restoring forces obtained at various amplitudes. The analysis illustrates the utility of the restoring force surface method on a system with complex and highly nonlinear forces. Copyright © 2006 by ASME.

The Kyoto Accords have been signed by 140 nations in order to significantly reduce carbon dioxide emissions into the atmosphere in the medium to long term. In order to achieve this goal without drastic reductions in fossil fuel usage, carbon dioxide must be removed from the atmosphere and stored in acceptable reservoirs. Research has been undertaken to develop economical new technologies for the transfer and storage of carbon dioxide in saline aquifers. In order to maximize the storage rate, the aquifer is first hydraulically fractured in a conventional well stimulation treatment with a slurry containing solid proppant. Well fracturing would increase the injection volume flowrate greatly. In addition, there are several ancillary benefits including extension of the reservoir early storage volume by moving the carbon dioxide further from the well. This extended reach would mitigate the problems with the buoyant plume and increase the surface area between the carbon dioxide and the formation facilitating absorption. A life-cycle cost estimate has been performed showing the benefits of this approach compared to injection without fracturing.

We present our initial results on the integration of a fluorescence- activated cell sorter into a microfluidic platform for the study of macrophages. We show that hydrodynamically focused macrophages can be efficiently sorted into another laminar flow by optical-force deflection, similar to optical tweezers. Although high laser power is required for sorting macrophages, initial observations show no obvious laser damage to the cells. © 2006 Society for Chemistry and Micro-Nano Systems.

We report numerical, and experimental studies of diffusion-based, free-solution hybridization of nucleic acids in a nanofluidic device. We present continuum-based models for transport of oligonucleotides in a nanofluidic T-junction serpentine channel. © 2006 Society for Chemistry and Micro-Nano Systems.

Using two-dimensional (2D), radiation magnetohydrodynamics (RMHD) numerical simulations, we have designed a feasible z-pinch radiation source that ignites a high yield fuel capsule in a z-pinch driven, double ended hohlraum concept. The z-pinch is composed of nested beryllium (Be) shells and a coaxial, cylindrical foam converter. The z-pinch is designed to produce a shaped radiation pulse that compresses a capsule by a sequence of three shocks without significant entropy increase. We present results of simulations pertaining to the z-pinch design, and discuss conditions that must be achieved in the z-pinch to ensure production of the required radiation pulse. © 2008 IEEE.

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In an on going study of gap bridging for thin plate Nd:YAG laser lap welds, empirical data, high speed imaging, and computer modeling were utilized to better understand surface physics attributed to the formation and solidification of a weld pool. Experimental data indicates better gap bridging can be achieved through optimized laser parameters such as pulse length, duration, and energy. Long pulse durations at low energies generating low peak powers were found to create the highest percent of gap bridging ability. At constant peak power, gap-bridging ability was further improved by using a smaller spot diameter resulting in higher irradiances. Hence, welding in focus is preferable for bridging gaps. Gas shielding was also found to greatly impact gap-bridging ability. Gapped lap welds that could not be bridged with UHP Argon gas shielding, were easily bridged when left unshielded and exposed to only air. Incident weld angle and joint offset were also investigated for their ability to improve gap bridging. Optical filters and brightlight surface illumination enabled high-speed imaging to capture the fluid dynamics of a forming and solidifying weld pool. The effects of various laser parameters and the weld pool's interaction with the laser beam could also be observed utilizing the high-speed imaging. The work described is used to develop and validate a computer model with improved weld pool physics. Finite element models have been used to derive insight into the physics of gap bridging. The dynamics of the fluid motion within the weld pool in conjunction with the free surface physics have been the primary focus of the modeling efforts. Surface tension has been found to be a more significant factor in determining final weld pool shape than expected.

This report presents a initial validation strategy for specific SNL pulsed power program applications of the ALEGRA-HEDP radiation-magnetohydrodynamics computer code. The strategy is written to be (1) broadened and deepened with future evolution of particular specifications given in this version; (2) broadly applicable to computational capabilities other than ALEGRA-HEDP directed at the same pulsed power applications. The content and applicability of the document are highly constrained by the R&D thrust of the SNL pulsed power program. This means that the strategy has significant gaps, indicative of the flexibility required to respond to an ongoing experimental program that is heavily engaged in phenomena discovery.

This report is an independent assessment of the potential for karst dissolution in evaporitic strata of the Rustler Formation at the Waste Isolation Pilot Plant (WIPP) site. Review of the available data suggests that the Rustler strata thicken and thin across the area in depositional patterns related to lateral variations in sedimentary accommodation space and normal facies changes. Most of the evidence that has been offered for the presence of karst in the subsurface has been used out of context, and the different pieces are not mutually supporting. Outside of Nash Draw, definitive evidence for the development of karst in the Rustler Formation near the WIPP site is limited to the horizon of the Magenta Member in drillhole WIPP-33. Most of the other evidence cited by the proponents of karst is more easily interpreted as primary sedimentary structures and the localized dissolution of evaporitic strata adjacent to the Magenta and Culebra water-bearing units. Some of the cited evidence is invalid, an inherited baggage from studies made prior to the widespread knowledge of modern evaporite depositional environments and prior to the existence of definitive exposures of the Rustler Formation in the WIPP shafts. Some of the evidence is spurious, has been taken out of context, or is misquoted. Lateral lithologic variations from halite to mudstone within the Rustler Formation under the WIPP site have been taken as evidence for the dissolution of halite such as that seen in Nash Draw, but are more rationally explained as sedimentary facies changes. Extrapolation of the known karst features in Nash Draw eastward to the WIPP site, where conditions are and have been significantly different for half a million years, is unwarranted. The volumes of insoluble material that would remain after dissolution of halite would be significantly less than the observed bed thicknesses, thus dissolution is an unlikely explanation for the lateral variations from halite to mudstone and siltstone. Several surficial depressions at WIPP, suggested to be sinkholes, do not have enough catchment area to form a sinkhole, and holes drilled to investigate the subsurface strata do not support a sinkhole interpretation. Surface drainage across the WIPP site is poorly developed because it has been disrupted by migrating sand dunes and because precipitation is not focused by defined catchment areas in this region of low precipitation and low-dip bedding, not because it has been captured by sinkholes. There are no known points of discharge from the Rustler Formation at WIPP that would indicate the presence of a subsurface karst drainage system. The existing drillholes across the WIPP site, though small in diameter, are sufficient to assess the probability of karst development along the horizontal fractures that are common in the Rustler Formation, and the area of investigation has been augmented significantly by the mapping of four large-diameter shafts excavated into the WIPP repository. The general absence of dissolution, karsting, and related conduits is corroborated by the pumping tests which have interrogated large volumes of the Rustler Formation between drillholes. Diffusion calculations suggest that separate isotopic signatures for the water found in the fractures and the water found in the pores of the matrix rock between fractures are unlikely, thus the isotopic evidence for ancient Rustler formation waters is valid. Geophysical techniques show a number of anomalies, but the anomalies do not overlap to portray consistent and mutually supporting patterns that can be definitively related to karst void space at any given location. The coincidence of the Culebra and Magenta potentiometric heads between Nash Draw and the WIPP site is the inevitable intersection of two non-parallel surfaces rather than an indication of karst-related hydraulic communication between the two units. The proponents of karst in the Rustler Formation at the WIPP site tend to mix data, to take data out of context, and to offer theory as fact. They do not analyze the data or synthesize it into a rigorous, mutually supporting framework. They assume that the existence of an anomaly rather than the specific characteristics of that anomaly proves the existence of intra-stratal karst in the Rustler Formation. In most cases, the interpretations of karst offered are non-unique interpretations of data for which more plausible interpretations exist.

In March 2005, the United States Coast Guard requested that Sandia National Laboratories provide a technical review and evaluation of the appropriateness and completeness of models, assumptions, analyses, and risk management options presented in the Cabrillo Port LNG Deepwater Port Independent Risk Assessment-Revision 1 (Cabrillo Port IRA). The goal of Sandia's technical evaluation of the Cabrillo Port IRA was to assist the Coast Guard in ensuring that the hazards to the public and property from a potential LNG spill during transfer, storage, and regasification operations were appropriately evaluated and estimated. Sandia was asked to review and evaluate the Cabrillo Port IRA results relative to the risk and safety analysis framework developed in the recent Sandia report, ''Guidance on Risk Analysis and Safety Implications of a Large Liquefied Natural Gas (LNG) Spill over Water''. That report provides a framework for assessing hazards and identifying approaches to minimize the consequences to people and property from an LNG spill over water. This report summarizes the results of the Sandia review of the Cabrillo Port IRA and supporting analyses. Based on our initial review, additional threat and hazard analyses, consequence modeling, and process safety considerations were suggested. The additional analyses recommended were conducted by the Cabrillo Port IRA authors in cooperation with Sandia and a technical review panel composed of representatives from the Coast Guard and the California State Lands Commission. The results from the additional analyses improved the understanding and confidence in the potential hazards and consequences to people and property from the proposed Cabrillo Port LNG Deepwater Port Project. The results of the Sandia review, the additional analyses and evaluations conducted, and the resolutions of suggested changes for inclusion in a final Cabrillo Port IRA are summarized in this report.

Constitutive models for chemically reacting networks are formulated based on a generalization of the independent network hypothesis. These models account for the coupling between chemical reaction and strain histories, and have been tested by comparison with microscopic molecular dynamics simulations. An essential feature of these models is the introduction of stress transfer functions that describe the interdependence between crosslinks formed and broken at various strains. Efforts are underway to implement these constitutive models into the finite element code Adagio. Preliminary results are shown that illustrate the effects of changing crosslinking and scission rates and history.

Many engineering application problems use optimization algorithms in conjunction with numerical simulators to search for solutions. The formulation of relevant objective functions and constraints dictate possible optimization algorithms. Often, a gradient based approach is not possible since objective functions and constraints can be nonlinear, nonconvex, non-differentiable, or even discontinuous and the simulations involved can be computationally expensive. Moreover, computational efficiency and accuracy are desirable and also influence the choice of solution method. With the advent and increasing availability of massively parallel computers, computational speed has increased tremendously. Unfortunately, the numerical and model complexities of many problems still demand significant computational resources. Moreover, in optimization, these expenses can be a limiting factor since obtaining solutions often requires the completion of numerous computationally intensive simulations. Therefore, we propose a multifidelity optimization algorithm (MFO) designed to improve the computational efficiency of an optimization method for a wide range of applications. In developing the MFO algorithm, we take advantage of the interactions between multi fidelity models to develop a dynamic and computational time saving optimization algorithm. First, a direct search method is applied to the high fidelity model over a reduced design space. In conjunction with this search, a specialized oracle is employed to map the design space of this high fidelity model to that of a computationally cheaper low fidelity model using space mapping techniques. Then, in the low fidelity space, an optimum is obtained using gradient or non-gradient based optimization, and it is mapped back to the high fidelity space. In this paper, we describe the theory and implementation details of our MFO algorithm. We also demonstrate our MFO method on some example problems and on two applications: earth penetrators and groundwater remediation.

This report documents a field trial program carried out at Well No.15 located at Kirtland Air Force Base, Albuquerque, New Mexico, to evaluate the performance of two relatively new arsenic removal media, ALCAN-AASF50 (ferric coated activated alumina) and granular ferric hydroxide (US Filter-GFH). The field trial program showed that both media were able to remove arsenate and meet the new total arsenic maximum contaminant level (MCL) in drinking water of 10 {micro}g/L. The arsenate removal capacity was defined at a breakthrough effluent concentration of 5 {micro}g/L arsenic (50% of the arsenic MCL of 10 {micro}g/L). At an influent pH of 8.1 {+-} 0.4, the arsenate removal capacity of AASF50 was 33.5 mg As(V)/L of dry media (29.9 {micro}g As(V)/g of media on a dry basis). At an influent pH of 7.2 {+-} 0.3, the arsenate removal capacity of GFH was 155 mg As(V)/L of wet media (286 {micro}g As(V)/g of media on a dry basis). Silicate, fluoride, and bicarbonate ions are removed by ALCAN AASF50. Chloride, nitrate, and sulfate ions were not removed by AASF50. The GFH media also removed silicate and bicarbonate ions; however, it did not remove fluoride, chloride, nitrate, and sulfate ions. Differences in the media performance partly reflect the variations in the feed-water pH between the 2 tests. Both the exhausted AASF50 and GFH media passed the Toxicity Characteristic Leaching Procedure (TCLP) test with respect to arsenic and therefore could be disposed as nonhazardous waste.

In this report, we systematically evaluate the ability of current-generation, satellite-based spectroscopic sensors to distinguish uranium mines and mills from other mineral mining and milling operations. We perform this systematic evaluation by (1) outlining the remote, spectroscopic signal generation process, (2) documenting the capabilities of current commercial satellite systems, (3) systematically comparing the uranium mining and milling process to other mineral mining and milling operations, and (4) identifying the most promising observables associated with uranium mining and milling that can be identified using satellite remote sensing. The Ranger uranium mine and mill in Australia serves as a case study where we apply and test the techniques developed in this systematic analysis. Based on literature research of mineral mining and milling practices, we develop a decision tree which utilizes the information contained in one or more observables to determine whether uranium is possibly being mined and/or milled at a given site. Promising observables associated with uranium mining and milling at the Ranger site included in the decision tree are uranium ore, sulfur, the uranium pregnant leach liquor, ammonia, and uranyl compounds and sulfate ion disposed of in the tailings pond. Based on the size, concentration, and spectral characteristics of these promising observables, we then determine whether these observables can be identified using current commercial satellite systems, namely Hyperion, ASTER, and Quickbird. We conclude that the only promising observables at Ranger that can be uniquely identified using a current commercial satellite system (notably Hyperion) are magnesium chlorite in the open pit mine and the sulfur stockpile. Based on the identified magnesium chlorite and sulfur observables, the decision tree narrows the possible mineral candidates at Ranger to uranium, copper, zinc, manganese, vanadium, the rare earths, and phosphorus, all of which are milled using sulfuric acid leaching.

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Our discovery that the introduction of living cells (Saccharomyces cerevisiae) alters dramatically the evaporation driven self-assembly of lipid-silica nanostructures suggested the formation of novel bio/nano interfaces useful for cellular interrogation at the nanoscale. This one year ''out of the box'' LDRD focused on the localization of metallic and semi-conducting nanocrystals at the fluid, lipid-rich interface between S. cerevisiae and the surrounding phospholipid-templated silica nanostructure with the primary goal of creating Surface Enhanced Raman Spectroscopy (SERS)-active nanostructures and platforms for cellular integration into electrode arrays. Such structures are of interest for probing cellular responses to the onset of disease, understanding of cell-cell communication, and the development of cell-based bio-sensors. As SERS is known to be sensitive to the size and shape of metallic (principally gold and silver) nanocrystals, various sizes and shapes of nanocrystals were synthesized, functionalized and localized at the cellular surface by our ''cell-directed assembly'' approach. Laser scanning confocal microscopy, SEM, and in situ grazing incidence small angle x-ray scattering (GISAXS) experiments were performed to study metallic nanocrystal localization. Preliminary Raman spectroscopy studies were conducted to test for SERS activity. Interferometric lithography was used to construct high aspect ratio cylindrical holes on patterned gold substrates and electro-deposition experiments were performed in a preliminary attempt to create electrode arrays. A new printing procedure was also developed for cellular integration into nanostructured platforms that avoids solvent exposure and may mitigate osmotic stress. Using a different approach, substrates comprised of self-assembled nanoparticles in a phospholipid templated silica film were also developed. When printed on top of these substrates, the cells integrate themselves into the mesoporous silica film and direct organization of the nanoparticles to the cell surface for integration into the cell.

This report details results from our last year of work (FY2005) on friction in MEMS as funded by the Campaign 6 program for the Microscale Friction project. We have applied different monolayers to a sensitive MEMS friction tester called the nanotractor. The nanotractor is also a useful actuator that can travel {+-}100 {micro}m in 40 nm steps, and is being considered for several MEMS applications. With this tester, we can find static and dynamic coefficients of friction. We can also quantify deviations from Amontons' and Coulomb's friction laws. Because of the huge surface-to-volume ratio at the microscale, surface properties such as adhesion and friction can dominate device performance, and therefore such deviations are important to quantify and understand. We find that static and dynamic friction depend on the monolayer lubricant applied. The friction data can be modeled with a non-zero adhesion force, which represents a deviation from Amontons' Law. Further, we show preliminary data indicating that the adhesion force depends not only on the monolayer, but also on the normal load applied. Finally, we also observe slip deflections before the transition from static to dynamic friction, and find that they depend on the monolayer.

Block-structured adaptively refined meshes (SAMR) strive for efficient resolution of partial differential equations (PDEs) solved on large computational domains by clustering mesh points only where required by large gradients. Previous work has indicated that fourth-order convergence can be achieved on such meshes by using a suitable combination of high-order discretizations, interpolations, and filters and can deliver significant computational savings over conventional second-order methods at engineering error tolerances. In this paper, we explore the interactions between the errors introduced by discretizations, interpolations and filters. We develop general expressions for high-order discretizations, interpolations, and filters, in multiple dimensions, using a Fourier approach, facilitating the high-order SAMR implementation. We derive a formulation for the necessary interpolation order for given discretization and derivative orders. We also illustrate this order relationship empirically using one and two-dimensional model problems on refined meshes. We study the observed increase in accuracy with increasing interpolation order. We also examine the empirically observed order of convergence, as the effective resolution of the mesh is increased by successively adding levels of refinement, with different orders of discretization, interpolation, or filtering.

The goal of this project was to examine the protein-protein docking problem, especially as it relates to homology-based structures, identify the key bottlenecks in current software tools, and evaluate and prototype new algorithms that may be developed to improve these bottlenecks. This report describes the current challenges in the protein-protein docking problem: correctly predicting the binding site for the protein-protein interaction and correctly placing the sidechains. Two different and complementary approaches are taken that can help with the protein-protein docking problem. The first approach is to predict interaction sites prior to docking, and uses bioinformatics studies of protein-protein interactions to predict theses interaction site. The second approach is to improve validation of predicted complexes after docking, and uses an improved scoring function for evaluating proposed docked poses, incorporating a solvation term. This scoring function demonstrates significant improvement over current state-of-the art functions. Initial studies on both these approaches are promising, and argue for full development of these algorithms.

Carbon nanotubes (CNT) are unique nanoscale building blocks for a variety of materials and applications, from nanocomposites, sensors and molecular electronics to drug and vaccine delivery. An important step towards realizing these applications is the ability to controllably self-assemble the nanotubes into larger structures. Recently, amphiphilic peptide helices have been shown to bind to carbon nanotubes and thus solubilize them in water. Furthermore, the peptides then facilitate the assembly of the peptide-wrapped nanotubes into supramolecular, well-aligned fibers. We investigate the role that molecular modeling can play in elucidating the interactions between the peptides and the carbon nanotubes in aqueous solution. Using ab initio methods, we have studied the interactions between water and CNTs. Classical simulations can be used on larger length scales. However, it is difficult to sample in atomistic detail large biomolecules such as the amphiphilic peptide of interest here. Thus, we have explored both new sampling methods using configurational-bias Monte Carlo simulations, and also coarse-grained models for peptides described in the literature. An improved capability to model these inorganichiopolymer interfaces could be used to generate improved understanding of peptide-nanotube self-assembly, eventually leading to the engineering of new peptides for specific self-assembly goals.

We present new methods for resolving IFSAR ambiguities and SAR layover. The analytic properties of these techniques make them well suited for reliable, efficient computation.

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Chemical/Biological/Radiological (CBR) contamination events pose a considerable threat to our nation's infrastructure, especially in large internal facilities, external flows, and water distribution systems. Because physical security can only be enforced to a limited degree, deployment of early warning systems is being considered. However to achieve reliable and efficient functionality, several complex questions must be answered: (1) where should sensors be placed, (2) how can sparse sensor information be efficiently used to determine the location of the original intrusion, (3) what are the model and data uncertainties, (4) how should these uncertainties be handled, and (5) how can our algorithms and forward simulations be sufficiently improved to achieve real time performance? This report presents the results of a three year algorithmic and application development to support the identification, mitigation, and risk assessment of CBR contamination events. The main thrust of this investigation was to develop (1) computationally efficient algorithms for strategically placing sensors, (2) identification process of contamination events by using sparse observations, (3) characterization of uncertainty through developing accurate demands forecasts and through investigating uncertain simulation model parameters, (4) risk assessment capabilities, and (5) reduced order modeling methods. The development effort was focused on water distribution systems, large internal facilities, and outdoor areas.

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This report describes a project to develop technology to integrate passively pulsating, cavitating nozzles within Polycrystalline Diamond Compact (PDC) bits for use with conventional rig pressures to improve the rock-cutting process in geothermal formations. The hydraulic horsepower on a conventional drill rig is significantly greater than that delivered to the rock through bit rotation. This project seeks to leverage this hydraulic resource to extend PDC bits to geothermal drilling.

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Foam encapsulants are used to encapsulate electromechanical assemblies for reasons such as shock mitigation, structural support, and voltage breakdown protection. Characterization of electrical properties of polymer encapsulants is important in situations where potting materials are in intimate contact with electrical components (e.g., printed wiring boards). REF308, REF320, RSF200, and EF-AR20 foams were developed for encapsulation in some potting applications at Sandia. Select electrical properties were measured for these Sandia encapsulants to characterize them for use in electromechanical potting applications. Dielectric constant with dissipation factors, volume resistivity, and dielectric strength were measured for REF308, REF320, RSF200, and EF-AR20 encapsulants. Fabrication of foam test specimens and the electrical test procedures will be discussed, and electrical testing results will be reported.

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One-way transforms have been used in weapon systems processors since the mid- to late-1970s in order to help recognize insertion of correct pre-arm information while maintaining abnormal-environment safety. Level-One, Level-Two, and Level-Three transforms have been designed. The Level-One and Level-Two transforms have been implemented in weapon systems, and both of these transforms are equivalent to matrix multiplication applied to the inserted information. The Level-Two transform, utilizing a 6 x 6 matrix, provided the basis for the ''System 2'' interface definition for Unique-Signal digital communication between aircraft and attached weapons. The investigation described in this report was carried out to find out if there were other size matrices that would be equivalent to the 6 x 6 Level-Two matrix. One reason for the investigation was to find out whether or not other dimensions were possible, and if so, to derive implementation options. Another important reason was to more fully explore the potential for inadvertent inversion. The results were that additional implementation methods were discovered, but no inversion weaknesses were revealed.

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In this report we present the formulation of the physically-based Evolving Microstructural Model of Inelasticity (EMMI) . The specific version of the model treated here describes the plasticity and isotropic damage of metals as being currently applied to model the ductile failure process in structural components of the W80 program . The formulation of the EMMI constitutive equations is framed in the context of the large deformation kinematics of solids and the thermodynamics of internal state variables . This formulation is focused first on developing the plasticity equations in both the relaxed (unloaded) and current configurations. The equations in the current configuration, expressed in non-dimensional form, are used to devise the identification procedure for the plasticity parameters. The model is then extended to include a porosity-based isotropic damage state variable to describe the progressive deterioration of the strength and mechanical properties of metals induced by deformation . The numerical treatment of these coupled plasticity-damage constitutive equations is explained in detail. A number of examples are solved to validate the numerical implementation of the model.

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This report summarizes a survey of several new methods for obtaining mechanical and rheological properties of single biological cells, in particular: (1) The use of laser Doppler vibrometry (LDV) to measure the natural vibrations of certain cells. (2) The development of a novel micro-electro-mechanical system (MEMS) for obtaining high-resolution force-displacement curves. (3) The use of the atomic force microscope (AFM) for cell imaging. (4) The adaptation of a novel squeezing-flow technique to micro-scale measurement. The LDV technique was used to investigate the recent finding reported by others that the membranes of certain biological cells vibrate naturally, and that the vibration can be detected clearly with recent instrumentation. The LDV has been reported to detect motions of certain biological cells indirectly through the motion of a probe. In this project, trials on Saccharomyces cerevisiae tested and rejected the hypothesis that the LDV could measure vibrations of the cell membranes directly. The MEMS investigated in the second technique is a polysilicon surface-micromachined force sensor that is able to measure forces to a few pN in both air and water. The simple device consists of compliant springs with force constants as low as 0.3 milliN/m and Moire patterns for nanometer-scale optical displacement measurement. Fields from an electromagnet created forces on magnetic micro beads glued to the force sensors. These forces were measured and agreed well with finite element prediction. It was demonstrated that the force sensor was fully functional when immersed in aqueous buffer. These results show the force sensors can be useful for calibrating magnetic forces on magnetic beads and also for direct measurement of biophysical forces on-chip. The use of atomic force microscopy (AFM) for profiling the geometry of red blood cells was the third technique investigated here. An important finding was that the method commonly used for attaching the cells to a substrate actually modified the mechanical properties of the cell membrane. Thus, the use of the method for measuring the mechanical properties of the cell may not be completely appropriate without significant modifications. The latest of the studies discussed in this report is intended to overcome the drawback of the AFM as a means of measuring mechanical and rheological properties. The squeezing-flow AFM technique utilizes two parallel plates, one stationary and the other attached to an AFM probe. Instead of using static force-displacement curves, the technique takes advantage of frequency response functions from force to velocity. The technique appears to be quite promising for obtaining dynamic properties. More research is required to develop this technique.

For several years now quantum computing has been viewed as a new paradigm for certain computing applications. Of particular importance to this burgeoning field is the development of an algorithm for factoring large numbers which obviously has deep implications for cryptography and national security. Implementation of these theoretical ideas faces extraordinary challenges in preparing and manipulating quantum states. The quantum transport group at Sandia has demonstrated world-leading, unique double quantum wires devices where we have unprecedented control over the coupling strength, number of 1 D channels, overlap and interaction strength in this nanoelectronic system. In this project, we study 1D-1D tunneling with the ultimate aim of preparing and detecting quantum states of the coupled wires. In a region of strong tunneling, electrons can coherently oscillate from one wire to the other. By controlling the velocity of the electrons, length of the coupling region and tunneling strength we will attempt to observe tunneling oscillations. This first step is critical for further development double quantum wires into the basic building block for a quantum computer, and indeed for other coupled nanoelectronic devices that will rely on coherent transport. If successful, this project will have important implications for nanoelectronics, quantum computing and information technology.

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Annual groundwater sampling was conducted at the Sandia National Laboratories' Mixed Waste Landfill (MWL) in April 2005. Seven monitoring wells were sampled using a Bennett{trademark} pump in accordance with the April 2005 Mini-Sampling and Analysis Plan for the MWL (SNL/NM 2005). The samples were analyzed off site at General Engineering Laboratories, Inc. for a broad suite of radiochemical and chemical parameters, and the results are presented in this report. Sample splits were also collected from several of the wells by the New Mexico Environment Department U.S. Department of Energy Oversight Bureau; however, the split sample results are not included in this report. The results of the April 2005 annual groundwater monitoring conducted at the MWL showed constituent concentrations within the historical ranges for the site and indicated no evidence of groundwater contamination from the landfill.

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This report suggests a generic set of attack approaches that are expected to be used against Industrial Control Systems that have been built according to a specific reference model for control systems. The posed attack approaches are ordered by the most desirable, based upon the goal of an attacker. Each attack approach is then graded by the category of adversary that would be capable of utilizing that attack approach. The goal of this report is to identify necessary levels of security required to prevent certain types of attacks against Industrial Control Systems.

This report focuses on and presents the capabilities of insulator-based dielectrophoresis (iDEP) microdevices for the concentration and removal of water-borne bacteria, spores and inert particles. The dielectrophoretic behavior exhibited by the different particles of interest (both biological and inert) in each of these systems was observed to be a function of both the applied electric field and the characteristics of the particle, such as size, shape, and conductivity. The results obtained illustrate the potential of glass and polymer-based iDEP devices to act as a concentrator for a front-end device with significant homeland security and industrial applications for the threat analysis of bacteria, spores, and viruses. We observed that the polymeric devices exhibit the same iDEP behavior and efficacy in the field of use as their glass counterparts, but with the added benefit of being easily mass fabricated and developed in a variety of multi-scale formats that will allow for the realization of a truly high-throughput device. These results also demonstrate that the operating characteristics of the device can be tailored through the device fabrication technique utilized and the magnitude of the electric field gradient created within the insulating structures. We have developed systems capable of handling numerous flow rates and sample volume requirements, and have produced a deployable system suitable for use in any laboratory, industrial, or clinical setting.

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HfB{sub 2} and ZrB{sub 2} are of interest for thermal protection materials because of favorable thermal stability, mechanical properties, and oxidation resistance. We have made dense diboride ceramics with 2 to 20 % SiC by hot pressing at 2000 C and 5000 psi. High-resolution transmission electron microscopy (TEM) shows very thin grain boundary phases that suggest liquid phase sintering. Fracture toughness measurements give RT values of 4 to 6 MPam{sup 1/2}. Four-pt flexure strengths measured in air up to 1450 C were as high as 450-500 MPa. Thermal diffusivities were measured to 2000 C for ZrB{sub 2} and HfB{sub 2} ceramics with SiC contents from 2 to 20%. Thermal conductivities were calculated from thermal diffusivities and measured heat capacities. Thermal diffusivities were modeled using different two-phase composite models. These materials exhibit excellent high temperature properties and are attractive for further development for thermal protection systems.

Polymer electronic devices and materials have vast potential for future microsystems and could have many advantages over conventional inorganic semiconductor based systems, including ease of manufacturing, cost, weight, flexibility, and the ability to integrate a wide variety of functions on a single platform. Starting materials and substrates are relatively inexpensive and amenable to mass manufacturing methods. This project attempted to plant the seeds for a new core competency in polymer electronics at Sandia National Laboratories. As part of this effort a wide variety of polymer components and devices, ranging from simple resistors to infrared sensitive devices, were fabricated and characterized. Ink jet printing capabilities were established. In addition to promising results on prototype devices the project highlighted the directions where future investments must be made to establish a viable polymer electronics competency.

Terrorist attacks using an aerosolized pathogen preparation have gained credibility as a national security concern after the anthrax attacks of 2001. The ability to characterize such attacks, i.e., to estimate the number of people infected, the time of infection, and the average dose received, is important when planning a medical response. We address this question of characterization by formulating a Bayesian inverse problem predicated on a short time-series of diagnosed patients exhibiting symptoms. To be of relevance to response planning, we limit ourselves to 3-5 days of data. In tests performed with anthrax as the pathogen, we find that these data are usually sufficient, especially if the model of the outbreak used in the inverse problem is an accurate one. In some cases the scarcity of data may initially support outbreak characterizations at odds with the true one, but with sufficient data the correct inferences are recovered; in other words, the inverse problem posed and its solution methodology are consistent. We also explore the effect of model error-situations for which the model used in the inverse problem is only a partially accurate representation of the outbreak; here, the model predictions and the observations differ by more than a random noise. We find that while there is a consistent discrepancy between the inferred and the true characterizations, they are also close enough to be of relevance when planning a response.

The goal of our project was to examine a novel quantum cascade laser design that should inherently increase the output power of the laser while simultaneously providing a broad tuning range. Such a laser source enables multiple chemical species identification with a single laser and/or very broad frequency coverage with a small number of different lasers, thus reducing the size and cost of laser based chemical detection systems. In our design concept, the discrete states in quantum cascade lasers are replaced by minibands made of multiple closely spaced electron levels. To facilitate the arduous task of designing miniband-to-miniband quantum cascade lasers, we developed a program that works in conjunction with our existing modeling software to completely automate the design process. Laser designs were grown, characterized, and iterated. The details of the automated design program and the measurement results are summarized in this report.

The US military has identified Human Performance Modeling (HPM) as a significant requirement and challenge of future systems modeling and analysis initiatives. To support this goal, Sandia National Laboratories (SNL) has undertaken a program of HPM as an integral augmentation to its system-of-system (SoS) analytics capabilities. The previous effort, reported in SAND2005-6569, evaluated the effects of soldier cognitive fatigue on SoS performance. The current effort began with a very broad survey of any performance-shaping factors (PSFs) that also might affect soldiers performance in combat situations. The work included consideration of three different approaches to cognition modeling and how appropriate they would be for application to SoS analytics. This bulk of this report categorizes 47 PSFs into three groups (internal, external, and task-related) and provides brief descriptions of how each affects combat performance, according to the literature. The PSFs were then assembled into a matrix with 22 representative military tasks and assigned one of four levels of estimated negative impact on task performance, based on the literature. Blank versions of the matrix were then sent to two ex-military subject-matter experts to be filled out based on their personal experiences. Data analysis was performed to identify the consensus most influential PSFs. Results indicate that combat-related injury, cognitive fatigue, inadequate training, physical fatigue, thirst, stress, poor perceptual processing, and presence of chemical agents are among the PSFs with the most negative impact on combat performance.

The present study examines the strain-rate sensitivity of four high strength, high-toughness alloys at strain rates ranging from 0.0002 s-1 to 200 s-1: Aermet 100, a modified 4340, modified HP9-4-20, and a recently developed Eglin AFB steel alloy, ES-1c. A refined dynamic servohydraulic method was used to perform tensile tests over this entire range. Each of these alloys exhibit only modest strain-rate sensitivity. Specifically, the strain-rate sensitivity exponent m, is found to be in the range of 0.004-0.007 depending on the alloy. This corresponds to a {approx}10% increase in the yield strength over the 7-orders of magnitude change in strain-rate. Interestingly, while three of the alloys showed a concominant {approx}3-10% drop in their ductility with increasing strain-rate, the ES1-c alloy actually exhibited a 25% increase in ductility with increasing strain-rate. Fractography suggests the possibility that at higher strain-rates ES-1c evolves towards a more ductile dimple fracture mode associated with microvoid coalescence.

Limitations on focused scene size for the Polar Format Algorithm (PFA) for Synthetic Aperture Radar (SAR) image formation are derived. A post processing filtering technique for compensating the spatially variant blurring in the image is examined. Modifications to this technique to enhance its robustness are proposed.

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Hydrogen getters were tested for use in storage of plutonium-bearing materials in accordance with DOE's Criteria for Interim Safe Storage of Plutonium Bearing Materials. The hydrogen getter HITOP was aged for 3 months at 70 C and tested under both recombination and hydrogenation conditions at 20 and 70 C; partially saturated and irradiated aged getter samples were also tested. The recombination reaction was found to be very fast and well above the required rate of 45 std. cc H2h. The gettering reaction, which is planned as the backup reaction in this deployment, is slower and may not meet the requirements alone. Pressure drop measurements and {sup 1}H NMR analyses support these conclusions. Although the experimental conditions do not exactly replicate the deployment conditions, the results of our conservative experiments are clear: the aged getter shows sufficient reactivity to maintain hydrogen concentrations below the flammability limit, between the minimum and maximum deployment temperatures, for three months. The flammability risk is further reduced by the removal of oxygen through the recombination reaction. Neither radiation exposure nor thermal aging sufficiently degrades the getter to be a concern. Future testing to evaluate performance for longer aging periods is in progress.

The ''Design and Manufacturing of Complex Optics'' LDRD sought to develop new advanced methods for the design and manufacturing of very complex optical systems. The project team developed methods for including manufacturability into optical designs and also researched extensions of manufacturing techniques to meet the challenging needs of aspherical, 3D, multi-level lenslet arrays on non-planar surfaces. In order to confirm the applicability of the developed techniques, the team chose the Dragonfly Eye optic as a testbed. This optic has arrays of aspherical micro-lenslets on both the exterior and the interior of a 4mm diameter hemispherical shell. Manufacturing of the dragonfly eye required new methods of plunge milling aspherical optics and the development of a method to create the milling tools using focused ion beam milling. The team showed the ability to create aspherical concave milling tools which will have great significance to the optical industry. A prototype dragonfly eye exterior was created during the research, and the methods of including manufacturability in the optical design process were shown to be successful as well.

In this report we present a model to explain the size-dependent shapes of lead nano-precipitates in aluminum. Size-dependent shape transitions, frequently observed at nanolength scales, are commonly attributed to edge energy effects. This report resolves an ambiguity in the definition and calculation of edge energies and presents an atomistic calculation of edge energies for free clusters. We also present a theory for size-dependent shapes of Pb nanoprecipitates in Al, introducing the concept of ''magic-shapes'' defined as precipitate shapes having near zero elastic strains when inserted into similarly shaped voids in the Al matrix. An algorithm for constructing a complete set of magic-shapes is presented. The experimental observations are explained by elastic strain energies and interfacial energies; edge energies play a negligible role. We replicate the experimental observations by selecting precipitates having magic-shapes and interfacial energies less than a cutoff value.

Effective elastic properties for carbon nanotube reinforced composites are obtained through a variety of micromechanics techniques. Using the in-plane elastic properties of graphene, the effective properties of carbon nanotubes are calculated utilizing a composite cylinders micromechanics technique as a first step in a two-step process. These effective properties are then used in the self-consistent and Mori-Tanaka methods to obtain effective elastic properties of composites consisting of aligned single or multi-walled carbon nanotubes embedded in a polymer matrix. Effective composite properties from these averaging methods are compared to a direct composite cylinders approach extended from the work of Hashin and Rosen (1964) and Christensen and Lo (1979). Comparisons with finite element simulations are also performed. The effects of an interphase layer between the nanotubes and the polymer matrix as result of functionalization is also investigated using a multi-layer composite cylinders approach. Finally, the modeling of the clustering of nanotubes into bundles due to interatomic forces is accomplished herein using a tessellation method in conjunction with a multi-phase Mori-Tanaka technique. In addition to aligned nanotube composites, modeling of the effective elastic properties of randomly dispersed nanotubes into a matrix is performed using the Mori-Tanaka method, and comparisons with experimental data are made. Computational micromechanical analysis of high-stiffness hollow fiber nanocomposites is performed using the finite element method. The high-stiffness hollow fibers are modeled either directly as isotropic hollow tubes or equivalent transversely isotropic effective solid cylinders with properties computed using a micromechanics based composite cylinders method. Using a representative volume element for clustered high-stiffness hollow fibers embedded in a compliant matrix with the appropriate periodic boundary conditions, the effective elastic properties are obtained from the finite element results. These effective elastic properties are compared to approximate analytical results found using micromechanics methods. The effects of an interphase layer between the high-stiffness hollow fibers and matrix to simulate imperfect load transfer and/or functionalization of the hollow fibers is also investigated and compared to a multi-layer composite cylinders approach. Finally the combined effects of clustering with fiber-matrix interphase regions are studied. The parametric studies performed herein were motivated by and used properties for single-walled carbon nanotubes embedded in an epoxy matrix, and as such are intended to serve as a guide for continuum level representations of such nanocomposites in a multi-scale modeling approach.

Technical assessment and remodeling of existing data indicates that the Richton salt dome, located in southeastern Mississippi, appears to be a suitable site for expansion of the U.S. Strategic Petroleum Reserve. The maximum area of salt is approximately 7 square miles, at a subsurface elevation of about -2000 ft, near the top of the salt stock. Approximately 5.8 square miles of this appears suitable for cavern development, because of restrictions imposed by modeled shallow salt overhang along several sides of the dome. The detailed geometry of the overhang currently is only poorly understood. However, the large areal extent of the Richton salt mass suggests that significant design flexibility exists for a 160-million-barrel storage facility consisting of 16 ten-million-barrel caverns. The dome itself is prominently elongated from northwest to southeast. The salt stock appears to consist of two major spine features, separated by a likely boundary shear zone trending from southwest to northeast. The dome decreases in areal extent with depth, because of salt flanks that appear to dip inward at 70-80 degrees. Caprock is present at depths as shallow as 274 ft, and the shallowest salt is documented at -425 ft. A large number of existing two-dimensional seismic profiles have been acquired crossing, and in the vicinity of, the Richton salt dome. At least selected seismic profiles should be acquired, examined, potentially reprocessed, and interpreted in an effort to understand the limitations imposed by the apparent salt overhang, should the Richton site be selected for actual expansion of the Reserve.

This report summarizes the results of an effort to establish a framework for assigning and communicating technology readiness levels (TRLs) for the modeling and simulation (ModSim) capabilities at Sandia National Laboratories. This effort was undertaken as a special assignment for the Weapon Simulation and Computing (WSC) program office led by Art Hale, and lasted from January to September 2006. This report summarizes the results, conclusions, and recommendations, and is intended to help guide the program office in their decisions about the future direction of this work. The work was broken out into several distinct phases, starting with establishing the scope and definition of the assignment. These are characterized in a set of key assertions provided in the body of this report. Fundamentally, the assignment involved establishing an intellectual framework for TRL assignments to Sandia's modeling and simulation capabilities, including the development and testing of a process to conduct the assignments. To that end, we proposed a methodology for both assigning and understanding the TRLs, and outlined some of the restrictions that need to be placed on this process and the expected use of the result. One of the first assumptions we overturned was the notion of a ''static'' TRL--rather we concluded that problem context was essential in any TRL assignment, and that leads to dynamic results (i.e., a ModSim tool's readiness level depends on how it is used, and by whom). While we leveraged the classic TRL results from NASA, DoD, and Sandia's NW program, we came up with a substantially revised version of the TRL definitions, maintaining consistency with the classic level definitions and the Predictive Capability Maturity Model (PCMM) approach. In fact, we substantially leveraged the foundation the PCMM team provided, and augmented that as needed. Given the modeling and simulation TRL definitions and our proposed assignment methodology, we conducted four ''field trials'' to examine how this would work in practice. The results varied substantially, but did indicate that establishing the capability dependencies and making the TRL assignments was manageable and not particularly time consuming. The key differences arose in perceptions of how this information might be used, and what value it would have (opinions ranged from negative to positive value). The use cases and field trial results are included in this report. Taken together, the results suggest that we can make reasonably reliable TRL assignments, but that using those without the context of the information that led to those results (i.e., examining the measures suggested by the PCMM table, and extended for ModSim TRL purposes) produces an oversimplified result--that is, you cannot really boil things down to just a scalar value without losing critical information.

Experimental data for material plasticity and failure model calibration and validation were obtained from 304L stainless steel. Model calibration data were taken from smooth tension, notched tension, and compression tests. Model validation data were provided from experiments using thin-walled tube specimens subjected to path dependent combinations of internal pressure, extension, and torsion.

Sandia National Laboratories has developed high-energy all-solid-state UV sources for use in laboratory tests of the feasibility of satellite-based ozone DIAL. These sources generate 320 nm light by sum-frequency mixing the 532 nm second harmonic of an Nd:YAG laser with the 803 nm signal light derived from a self-injection-seeded image-rotating optical parametric oscillator (OPO). The OPO cavity utilizes the RISTRA geometry, denoting rotated-image singly-resonant twisted rectangle. Two configurations were developed, one using extra-cavity sum-frequency mixing, where the sum-frequency-generation (SFG) crystal is outside the OPO cavity, and the other intra-cavity mixing, where the SFG crystal is placed inside the OPO cavity. Our goal was to obtain 200 mJ, 10 ns duration, 320 nm pulses at 10 Hz with near-IR to UV (1064 nm to 320 nm) optical conversion efficiency of 25%. To date we've obtained 190 mJ at 320 nm using extra-cavity SFG with 21% efficiency, and > 140 mJ by intra-cavity SFG with efficiency approaching 24%. While these results are encouraging, we've determined our conversion efficiency can be enhanced by replacing self-seeding at the signal wavelength of 803 nm with pulsed idler seeding at 1576 nm. By switching to idler seeding and increasing the OPO cavity dimensions to accommodate flat-top beams with diameters up to 10 mm, we expect to generate UV energies approaching 300 mJ with optical conversion efficiency approaching 25%. While our technology was originally designed to obtain high pulse energies, it can also be used to generate low-energy UV pulses with high efficiency. Numerical simulations using an idler-seeded intra-cavity SFG RISTRA OPO scaled to half its nominal dimensions yielded 560 μJ of 320 nm light from 2 mJ of 532 nm pump using an idler-seed energy of 100 μJ.

This paper reports on a novel approach to atmospheric cloud segmentation from a space based multi-spectral pushbroom satellite system. The satellite collects 15 spectral bands ranging from visible, 0.45 urn, to long wave in fared (IR), 10.7um. The images are radiometrically calibrated and have ground sample distances (GSD) of 5 meters for visible to very near IR bands and a GSD of 20 meters for near IR to long wave IR. The algorithm consists of a hybrid-classification system in the sense that supervised and unsupervised networks are used in conjunction. For performance evaluation, a series of numerical comparisons to human derived cloud borders were performed. A set of 33 scenes were selected to represent various climate zones with different land cover from around the world. The algorithm consisted of the following. Band separation was performed to find the band combinations which form significant separation between cloud and background classes. The potential bands are fed into a K-Means clustering algorithm in order to identify areas in the image which have similar centroids. Each cluster is then compared to the cloud and background prototypes using the Jeffries-Matusita distance. A minimum distance is found and each unknown cluster is assigned to their appropriate prototype. A classification rate of 88% was found when using one short wave IR band and one midwave IR band. Past investigators have reported segmentation accuracies ranging from 67% to 80%, many of which require human intervention. A sensitivity of 75% and specificity of 90% were reported as well.

In this letter, we examine the effects of discrete mobile dislocations on spinodal decomposition kinetics in lattice mismatched binary alloys. By employing a novel continuum model, we demonstrate that the effects of dislocation mobility on domain coarsening kinetics can be expressed in a unified manner through a scaling function, describing a crossover from t12 to t13 behavior. © 2005 American Institute of Physics.

During the transportation of spent nuclear fuel by truck, the possibility exists that a train could run into the spent fuel cask at a grade crossing. Sandia National Laboratories has conducted a numerical study to assess the possibility of cask breach or material release in the event of a high-speed, broadside locomotive collision. A numerical approach has the advantage over conducting a physical test as was done in the 1970s [1] in that varying parameters can be examined. For example, one of the criticisms of the 1970s test was the height of the cask. In the test, the centerline of the cask was above the main frame-rails of the locomotive. In this study the position of the cask with respect to the locomotive was varied. The response of the cask and trailer in different collision scenarios was modeled numerically with LS-DYNA [2]. The simulations were performed as a collaborative endeavor between Sandia National Laboratories (SNL), Applied Research Associates, Inc. (ARA) and Foster-Miller, Inc (FMI). ARA developed the GA-4 Spent Fuel Cask and Cask Transporter models described in this report. These models were then combined with two existing FMI heavy freight locomotive finite element models to create the overall simulation scenarios. The modeling effort, results, and conclusions are presented in this paper. Copyright © 2005 by ASME.

The physics of ballistic penetration mechanics is of great interest in penetrator and counter-measure design. The phenomenology associated with these events can be quite complex and a significant number of studies have been conducted ranging from purely experimental to 'engineering' models based on empirical and/or analytical descriptions to fully-coupled penetrator/target, thermo-mechanical numerical simulations. Until recently, however, there appears to be a paucity of numerical studies considering 'non-ideal' impacts [1]. The goal of this work is to demonstrate the SHISM algorithm implemented in the ALEGRA Multi-Material ALE (Arbitrary Lagrangian Eulerian) code [13]. The SHISM algorithm models the three-dimensional continuum solid mechanics response of the target and penetrator in a fully coupled manner. This capability allows for the study of 'non-ideal' impacts (e.g. pitch, yaw and/or obliquity of the target/penetrator pair). In this work predictions using the SHISM algorithm are compared to previously published experimental results for selected ideal and non-ideal impacts of metal penetrator-target pairs. These results show good agreement between predicted and measured maximum depth-of-penetration, DOP, for ogive-nose penetrators with striking velocities in the 0.5 to 1.5 km/s range. Ideal impact simulations demonstrate convergence in predicted DOP for the velocity range considered. A theory is advanced to explain disagreement between predicted and measured DOP at higher striking velocities. This theory postulates uncertainties in angle-of-attack for the observed discrepancies. It is noted that material models and associated parameters used here, were unmodified from those in the literature. Hence, no tuning of models was performed to match experimental data. Copyright © 2005 by ASME.

Kevlar materials make excellent body armor due to their fabric-like flexibility and ultra-high tensile strength. Carbon composites are made up from many layers of carbon AS-4 material impregnated with epoxy. Fiber orientation is bidirectional, orientated at 0° and 90°. They also have ultra-high tensile strength but can be made into relatively hard armor pieces. Once many layers are cut and assembled they can be ergonomicically shaped in a mold during the heated curing process. Kevlar and carbon composites can be used together to produce light and effective body armor. This paper will focus on computer analysis and laboratory testing of a Kevlar/carbon composite cross-section proposed for body armor development. The carbon composite is inserted between layers of Kevlar. The computer analysis was performed with a Lagrangian transversely Isotropic material model for both the Kevlar and Carbon Composite. The computer code employed is AUTODYN. Both the computer analysis and laboratory testing utilized different fragments sizes of hardened steel impacting on the armor cross-section. The steel fragments are right-circular cylinders. Laboratory testing was undertaken by firing various sizes of hardened steel fragments at square test coupons of Kevlar layers and heat cured carbon composites. The V50 velocity for the various fragment sizes was determined from the testing. This V50 data can be used to compare the body armor design with other previously designed armor systems. AUTODYN [1] computer simulations of the fragment impacts were compared to the experimental results and used to evaluate and guide the overall design process. This paper will include the detailed transversely isotropic computer simulations of the Kevlar/carbon composite cross-section as well as the experimental results and a comparison between the two. Conclusions will be drawn about the design process and the validity of current computer modeling methods for Kevlar and carbon composites. Copyright © 2005 by ASME.

For the simple geometries of Couette and Poiseuille flows, the velocity profile maintains a similar shape from continuum to free molecular flow. Therefore, modifications to the fluid viscosity and slip boundary conditions can improve the continuum based Navier-Stokes solution in the non-continuum non-equilibrium regime. In this investigation, the optimal modifications are found by a linear least-squares fit of the Navier-Stokes solution to the non-equilibrium solution obtained using the direct simulation Monte Carlo (DSMC) method. Models are then constructed for the Knudsen number dependence of the viscosity correction and the slip model from a database of DSMC solutions for Couette and Poiseuille flows of argon and nitrogen gas, with Knudsen numbers ranging from 0.01 to 10. Finally, the accuracy of the models is measured for non-equilibrium cases both in and outside the DSMC database. Flows outside the database include: combined Couette and Poiseuille flow, partial wall accommodation, helium gas, and non-zero convective acceleration. The models reproduce the velocity profiles in the DSMC database within an L2 error norm of 3% for Couette flows and 7% for Poiseuille flows. However, the errors in the model predictions outside the database are up to five times larger. Copyright © 2005 John Wiley & Sons, Ltd.

We describe the design and operation of a long-working-distance, incoherent light interference microscope that has been developed to address the growing demand for new microsystem characterization tools. The design of the new microscope is similar to that of a Linnik interference microscope and thus preserves the full working distance of the long-working-distance objectives utilized. However, in contrast to a traditional Linnik microscope, the new microscope does not rely on the use of matched objectives in the sample and the reference arms of the interferometer. An adjustable optical configuration has been devised that allows the total optical path length, wavefront curvature, and dispersion of the reference arm to be matched to the sample arm of the interferometer. The reference arm configuration can be adjusted to provide matching for 5×, 10×, and 20× long-working-distance objectives in the sample arm. In addition to retaining the full working distance of the sample arm objectives, the new design allows interference images to be acquired in situations in which intervening windows are necessary, such as occur with packaged microsystems, microfluidic devices, and cryogenic, vacuum, or environmental chamber studies of microsystem performance. The interference microscope is compatible with phase-shifting interferometry, vertical scanning interferometry, and stroboscopic measurement of dynamic processes. © 2005 Optical Society of America.

The effect of particle diameter on downward co-current gas-liquid flow through a fixed bed of particles confined within a cylindrical column is investigated. Several hydrodynamic regimes that depend strongly on the properties of the gas stream, the liquid stream, and the packed particle bed are known to exist within these systems. This experimental study focuses on characterizing the effect of wall confinement on these hydrodynamic regimes as the diameter d of the spherical particles becomes comparable to the column diameter D (or D/d becomes order-unity). The packed bed consists of polished, solid, spherical, monodisperse particles (beads) with mean diameter in the range of 0.64-2.54 cm. These diameters yield D/d values between 15 and 3.75, so this range overlaps and extends the previously investigated range for two-phase flow. Measurements of the pressure drop across the bed and across the pulses are obtained for varying gas and liquid flow rates. Copyright © 2005 by ASME.

On a single-pulse basis, the tungsten armor for the chamber walls in a laser inertial fusion energy power plant must withstand X-ray fluences of 0.4-1.2 J/cm2 with almost no mass loss, and preferably no surface changes. We have exposed preheated tungsten samples to 0.27 and 0.9 J/cm 2 X-ray fluence from the Z accelerator at Sandia National Laboratories to determine the single-shot X-ray damage threshold. Earlier focused ion beam analysis has shown that rolled powdered metal formed tungsten and tungsten alloys, will melt when exposed to 2.3 J/cm2 on Z, but not at 1.3 J/cm2. Three forms of tungsten - single-crystal (SING), chemical-vapor-deposited (CVD), and rolled powdered metal (PWM) - were exposed to fluence levels of 0.9 J/cm2 without any apparent melting. However, the CVD and PWM sample surfaces were rougher after exposure than the SING sample, which was not roughened. BUCKY (1D) calculations show a threshold of 0.5 J/cm2 for melting on Z. The present experiments indicate no melting but limited surface changes occur with polycrystalline samples (PWM and CVD) at 0.9 J/cm2 and no surface changes other than debris for samples at 0.27 J/cm2. © 2005 Elsevier B.V. All rights reserved.

Through the use of simultaneous thermogravimetry modulated beam mass spectrometry, optical microscopy, hot-stage time-lapsed microscopy, and scanning electron microscopy measurements, the physical and chemical processes that control the thermal decomposition of 1,3,5-trinitrohexahydro-s-triazine (RDX) below its melting point (160-189°C) have been identified. Two gas-phase reactions of RDX are predominant during the early stages of an experiment. One involves the loss of HONO and HNO and leads to the formation of H 2O, NO, NO 2, and oxy-s-triazine (OST) or s-triazine. The other involves the reaction of NO with RDX to form NO 2 and 1-nitroso-3,5-dinitrohexahydro-s-triazine (ONDNTA), which subsequently decompose's to form a set of products of which CH 2O and N 2O are the most abundant. Products from the gas-phase RDX decomposition reactions, such as ONDNTA, deposit on the surface of the RDX particles and lead to the development of a new set of reaction pathways that occur on the surface of the RDX particles. The initial surface reactions occur on surfaces of those RDX particles in the sample that can accumulate the greatest amount of products from the gas-phase reactions. Initial surface reactions are characterized by the formation of islands of reactivity on the RDX surface and lead to the development of an orange-colored nonvolatile residue (NVR) film on the surface of the RDX particles. The NVR film is most likely formed via the decomposition of ONDNTA on the surface of the RDX particles. The NVR film is a nonstoichiometric and dynamic material, which reacts directly with RDX and ONDNTA, and is composed of remnants from RDX and ONDNTA molecules that have reacted with the NVR. Reactions involving the NVR become dominant during the later stage of the decomposition process. The NVR reacts with RDX to form ONDNTA via abstraction of an oxygen atom from an NO 2 group. ONDNTA may undergo rapid loss of N 2 and NO 2 with the remaining portion of the molecule being incorporated into the dynamic NVR. The dynamic NVR also decomposes and leads to the formation of H 2O, CH 2O, N 2O, NH 2CHO, (CH 3) 2NCHO, (CH 3) 2NNO, C 2H 2N 2O, and (CH 3) 3N or CH 3NCH 2CH 3. The competition between reaction of the dynamic NVR with RDX and its own thermal decomposition manifests itself in a rapid increase in the rate of evolution of the NVR decomposition products as the amount of RDX remaining in the sample nears depletion. The reactions between the NVR film and RDX on the surface of the RDX particles leads to a localized environment that creates a layer of molten RDX on the surface of the particles where reactions associated with the liquid-phase decomposition of RDX may occur. The combination of these reaction processes leads to an acceleration of the reaction rate in the later stage of the decomposition process and creates an apparent reaction rate behavior that has been referred to as autocatalytic in many previous studies of RDX decomposition. A reaction scheme summarizing the reaction pathways that contribute to the decomposition of RDX below its melting point is presented. © 2005 American Chemical Society.

Solvent evaporation from homopolymer and heteropolymer films along with the interdiffusion of solvent into these films are studied by molecular dynamics simulations. Due to the high viscosity of polymer melts, in many cases polymer films are made by first dissolving the polymer in a low viscosity solvent, spreading the solution on a substrate and subsequently evaporating the solvent. Here we study the last part of this process, namely the evaporation of solvent from a polymer film. As the solvent evaporates, the polymer density at the film/vapour interface is found to increase sharply, creating a polymer density gradient which acts as a barrier for further solvent evaporation. For both homopolymer and heteropolymer films, the rate of solvent evaporation is found to decrease exponentially as a function of time. For multiblock co-polymer films the resulting domain structure is found to be strongly affected by the relative stiffness of the two blocks. The reverse process, namely the interdiffusion of solvent into a polymer film, is also studied. For homopolymer films the weight gain by the film scales as t1/2, which is expected for Fickian diffusion. The diffusivity D(c) determined from the one-dimensional Fick's diffusion equation agrees well with that calculated from the corrected diffusion constant using the Darken equation. Far above the polymer glass transition temperature, D(c) is nearly independent of concentration. However, as the temperature decreases D(c) is found to depend strongly on the state of the polymer and is related to the shape of the solvent concentration profile. Finally, the swelling of a multiblock copolymer film in which the stiffer block is below its glass transition temperature is also studied. While the solvent swells only the softer block of the copolymer, the weight gain by the film remains Fickian. © 2005 IOP Publishing Ltd.

Inorganic nanoclusters dispersed in organic matrices are of importance to a number of emerging technologies. However, obtaining useful properties from such organic-inorganic composites often requires high concentrations of well-dispersed nanoclusters. In order to achieve this goal the chemistry of the particle surface and the matrix must be closely matched. This is based on the premise of minimization of the interfacial free energy; an excess of free energy will cause phase separation and ultimately aggregation. Thus, the optimal system is one in which the nanoclusters are stabilized by the same molecules that make up the encapsulant. Yet, the organic matrix is typically chosen for its bulk properties, and therefore may not be amenable to chemical modification. Also, the organic-inorganic interface is often critical to establishing and maintaining the desired nanocluster (and hence composite) properties, placing further constraints on proposed chemical modification. For these reasons we have adopted the use of aminefunctionalized trimethoxysilanes (ormosils) as an optical grade encapsulant. In this work, we demonstrate that ormosils can produce beneficial optical effects that are derived from interfacial phenomena, which can be maintained throughout the encapsulation process.

A 256-site microsystem comprises 4 neural recording arrays with integrated amplification and multiplexing circuitry and an implantable spike detection ASIC. The spike detector compresses the amount of neural data by 92%, increasing the total number of channels recorded wirelessly from 25 to 312. The implantable circuitry consumes 5.4mW at 3V. ©2005 IEEE.

This paper develops and investigates iterative tensor methods for solving large-scale systems of nonlinear equations. Direct tensor methods for nonlinear equations have performed especially well on small, dense problems where the Jacobian matrix at the solution is singular or ill-conditioned, which may occur when approaching turning points, for example. This research extends direct tensor methods to large-scale problems by developing three tensor-Krylov methods that base each iteration upon a linear model augmented with a limited second-order term, which provides information lacking in a (nearly) singular Jacobian. The advantage of the new tensor-Krylov methods over existing large-scale tensor methods is their ability to solve the local tensor model to a specified accuracy, which produces a more accurate tensor step. The performance of these methods in comparison to Newton-GMRES and tensor-GMRES is explored on three Navier-Stokes fluid flow problems. The numerical results provide evidence that tensor-Krylov methods are generally more robust and more efficient than Newton-GMRES on some important and difficult problems. In addition, the results show that the new tensor-Krylov methods and tensor-GMRES each perform better in certain situations. © 2005 Society for Industrial and Applied Mathematics.

A series of field tests sponsored by Sandia National Laboratories has simultaneously demonstrated the hard-rock drilling performance of different industry-supplied drag bits as well as Sandia's new Diagnostics-While-Drilling (DWD) system, which features a novel downhole tool that monitors dynamic conditions in close proximity to the bit. Drilling with both conventional and advanced ("best effort") drag bits was conducted at the GTI Catoosa Test Facility (near Tulsa, OK) in a well-characterized lithologic column that features an extended hard-rock interval of Mississippi limestone above a layer of highly abrasive Misener sandstone and an underlying section of hard Arbuckle dolomite. Output from the DWD system was closely observed during drilling and was used to make real-time decisions for adjusting the drilling parameters. This paper summarizes penetration rate and damage results for the various drag bits, shows representative DWD display data, and illustrates the application of these data for optimizing drilling performance and avoiding trouble.

Many MEMS devices are based on polysilicon because of the current availability of surface micromachining technology. However, polysilicon is not the best choice for devices where extensive sliding and/or thermal fields are applied due to its chemical, mechanical and tribological properties. In this work, we investigated the mechanical properties of three new materials for MEMS/NEMS devices: silicon carbide (SiC) from Case Western Reserve University (CWRU), ultrananocrystalline diamond (UNCD) from Argonne National Laboratory (ANL), and hydrogen-free tetrahedral amorphous carbon (ta-C) from Sandia National Laboratories (SNL). Young's modulus, characteristic strength, fracture toughness, and theoretical strength were measured for these three materials using only one testing methodology - the Membrane Deflection Experiment (MDE) developed at Northwestern University. The measured values of Young's modulus were 430GPa, 960GPa, and 800GPa for SiC, UNCD, and ta-C, repectively. Fracture toughness measurments resulted in values of 3.2, 4.5, and 6.2 MPa×m 1/2, respectively. The strengths were found to follow a Weibull distribution but their scaling was found to be controlled by different specimen size parameters. Therefore, a cross comparison of the strengths is not fully meaningful. We instead propose to compare their theoretical strengths as determined by employing Novozhilov fracture criterion. The estimated theoretical strength for SiC is 10.6GPa at a characteristic length of 58nm, for UNCD is 18.6GPa at a characteristic length of 37nm, and for ta-C is 25.4GPa at a characteristic length of 38nm. The techniques used to obtained these results as well as microscopic fractographic analyses are summarized in the article. We also highlight the importance of characterizing mechanical properties of MEMS materials by means of only one simple and accurate experimental technique.

Catastrophic failure of a Reusable Launch Vehicle (RLV) during launch poses a significant engineering problem in the context of crew escape. The explosive hazard potential of the RLV changes during the various phases of the launch. The hazard potential in the on-pad environment is characterized by release and formation of a gas phase mixture in an oxidizer rich environment, while the hazard during the in-flight phase is dominated by the boundary layer and wake flow formed around the vehicle and the interaction with the exhaust gas plume. In order to address more effectively crew escape in these explosive environments a computational analysis program was undertaken by Lockheed Martin, funded by NASA JSC, with simulations and analyses completed by Southwest Research Institute and Sandia National Laboratories. This paper presents then the details of the methodology used in this analysis, results of the study, and important conclusions that came out of the study. Copyright © 2005 by the American Institute of Aeronautics and Astronautics, Inc. All rights reserved.

A gas-cooled reactor may be coupled directly to turbomachinery to form a closed-Brayton-cycle (CBC) system in which the CBC working fluid serves as the reactor coolant. Such a system has the potential to be a very simple and robust space-reactor power system. Gas-cooled reactors have been built and operated in the past, but very few have been coupled directly to the turbomachinery in this fashion. In this paper we describe the option for testing such a system with a small reactor and turbomachinery at Sandia National Laboratories. Sandia currently operates the Annular Core Research Reactor (ACRR) at steady-state powers up to 4 MW and has an adjacent facility with heavy shielding in which another reactor recently operated. Sandia also has a closed-Brayton-Cycle test bed with a converted commercial turbomachinery unit that is rated for up to 30 kWe of power. It is proposed to construct a small experimental gas-cooled reactor core and attach this via ducting to the CBC turbomachinery for cooling and electricity production. Calculations suggest that such a unit could produce about 20 kWe, which would be a good power level for initial surface power units on the Moon or Mars. The intent of this experiment is to demonstrate the stable start-up and operation of such a system. Of particular interest is the effect of a negative temperature power coefficient as the initially cold Brayton gas passes through the core during startup or power changes. Sandia's dynamic model for such a system would be compared with the performance data. This paper describes the neutronics, heat transfer, and cycle dynamics of this proposed system. Safety and radiation issues are presented. The views expressed in this document are those of the author and do not necessarily reflect agreement by the government. © 2005 American Institute of Physics.

Experimental modal analysis (EMA) was carried out on a micro-machined acceleration switch to characterize the motions of the device as fabricated and to compare this with analytical results for the nominal design. Finite element analysis (FEA) of the nominal design was used for this comparison. The acceleration switch was a single-crystal silicon disc supported by four fork-shaped springs. We shook the base of the die with step sine type excitation. A Laser Doppler Velocimeter (LDV) in conjunction with a microscope was used to measure the velocities of the die at several points. The desired first three modes of the structure were identified. The fundamental natural frequency that we measured in this experiment gives an estimate of the actuation g-level for the specified stroke. The fundamental resonance and actuation g-level results from the EMA and the FEA showed large variations. The discrepancy prompted thorough dimensional measurement of the acceleration switch, which revealed discrepancies between the nominal design and tested component.

Sandia National Laboratories has previously tested a capability to impose a 7.5 g-rms (30 g peak) radial vibration load up to 2 kHz on a 25 lb object with superimposed 50 g acceleration at its centrifuge facility. This was accomplished by attaching a 3,000 lb Unholtz-Dickie mechanical shaker at the end of the centrifuge arm to create a "Vibrafuge". However, the combination of non-radial vibration directions, and linear accelerations higher than 50g's are currently not possible because of the load capabilities of the shaker and the stresses on the internal shaker components due to the combined centrifuge acceleration. Therefore, a new technique using amplified piezo-electric actuators has been developed to surpass the limitations of the mechanical shaker system. They are lightweight, modular and would overcome several limitations presented by the current shaker. They are 'scalable', that is, adding more piezo-electric units in parallel or in series can support larger-weight test articles or displacement/frequency regimes. In addition, the units could be mounted on the centrifuge arm in various configurations to provide a variety of input directions. The design along with test results will be presented to demonstrate the capabilities and limitations of the new piezo-electric Vibrafuge.

The role of chain branching in a chemical kinetic system was investigated by analyzing the eigenvalues of the system. We found that in the homogeneous ignition of the hydrogen/air and methane/air mixtures, the branching mechanism gives rise to explosive modes (eigenvalues with positive real parts) in the induction period as expected; however, in their respective premixed flames, we found none. Thus, their existence is not a necessary condition for the propagation of a premixed flame. © 2005 Elsevier Ltd.

Structural assemblies often include bolted connections that are a primary mechanism for energy dissipation and nonlinear response at elevated load levels. Typically these connections are idealized within a structural dynamics finite element model as linear elastic springs. The spring stiffness is generally tuned to reproduce modal test data taken on a prototype. In conventional practice, modal test data is also used to estimate nominal values of modal damping that could be used in applications with load amplitudes comparable to those employed in the modal tests. Although this simplification of joint mechanics provides a convenient modeling approach with the advantages of reduced complexity and solution requirements, it often leads to poor predicted responses for load regimes associated with nonlinear system behavior. In this document we present an alternative approach using the concept of a "whole-joint" or "whole-interface" model [1]. We discuss the nature of the constitutive model, the manner in which model parameters are deduced, and comparison of structural dynamic prediction with results for experimental hardware subjected to a series of transient excitations beginning at low levels and increasing to levels that produced macro-slip in the joint. Further comparison is performed with a traditional "tuned" linear model. The ability of the whole-interface model to predict the onset of macro-slip as well as the vast improvement of the response levels in relation to those given by the linear model is made evident. Additionally, comparison between prediction and high amplitude experiments suggests areas for further work.

This paper addresses the coupling of experimental and finite element models of substructures. In creating the experimental model, difficulties exist in applying moments and estimating resulting rotations at the connection point between the experimental and finite element models. In this work, a simple test fixture for applying moments and estimating rotations is used to more accurately estimate these quantities. The test fixture is analytically "subtracted" from the model using the admittance approach. Inherent in this process is the inversion of frequency response function matrices that can amplify the uncertainty in the measured data. Presented here is the work applied to a two-component beam model and analyses that attempt to identify and quantify some of these uncertainties. The admittance model of one beam component was generated experimentally using the moment-rotation fixture, and the other from a detailed finite element model. During analytical testing of the admittance modeling algorithm, it was discovered that the component admittance models generated by finite elements were ill conditioned due to the inherent physics.

In order to create an analytical model of a material or structure, two sets of experiments must be performed-calibration and validation. Calibration experiments provide the analyst with the parameters from which to build a model that encompasses the behavior of the material. Once the model is calibrated, the new analytical results must be compared with a different, independent set of experiments, referred to as the validation experiments. This modeling procedure was performed for a crushable honeycomb material, with the validation experiments presented here. This paper covers the design of the validation experiments, the analysis of the resulting data, and the metric used for model validation.

Processing-in-Memory (PIM) technology encompasses a range of research leveraging a tight coupling of memory and processing. The most unique features of the technology are extremely wide paths to memory, extremely low memory latency, and wide functional units. Many PIM researchers are also exploring extremely fine-grained multi-threading capabilities. This paper explores a mechanism for leveraging these features of PIM technology to enhance commodity architectures in a seemingly mundane way: accelerating MPI. Modern network interfaces leverage simple processors to offload portions of the MPI semantics, particularly the management of posted receive and unexpected message queues. Without adding cost or increasing clock frequency, using PIMs in the network interface can enhance performance. The results are a significant decrease in latency and increase in small message bandwidth, particularly when long queues are present.

The critical Rayleigh number Racr of the Hopf bifurcation that signals the limit of steady flows in a differentially heated 8:1:1 cavity is computed. The two-dimensional analog of this problem was the subject of a comprehensive set of benchmark calculations that included the estimation of Racr [1]. In this work we begin to answer the question of whether the 2D results carry over into 3D models. For the case of the 2D model being extruded for a depth of 1, and no-slip/no-penetration and adiabatic boundary conditions placed at these walls, the steady flow and destabilizing eigenvectors qualitatively match those from the 2D model. A mesh resolution study extending to a 20-million unknown model shows that the presence of these walls delays the first critical Rayleigh number from 3.06 × 105 to 5.13 × 105. © 2005 Elsevier Ltd.

The processes and functional constituents of biological photosynthetic systems can be mimicked to produce a variety of functional nanostructures and nanodevices. The photosynthetic nanostructures produced are analogs of the naturally occurring photosynthetic systems and are composed of biomimetic compounds (e.g., porphyrins). For example, photocatalytic nanotubes can be made by ionic self-assembly of two oppositely charged porphyrins tectons [1]. These nanotubes mimic the light-harvesting and photosynthetic functions of biological systems like the chlorosomal rods and reaction centers of green sulfur bacteria. In addition, metal-composite nanodevices can be made by using the photocatalytic activity of the nanotubes to reduce aqueous metal salts to metal atoms, which are subsequently deposited onto tube surfaces [2]. In another approach, spatial localization of photocatalytic porphyrins within templating surfactant assemblies leads to controlled growth of novel dendritic metal nanostructures [3].

Mechanical systems behave randomly and it is desirable to capture this feature when making response predictions. Currently, there is an effort to develop predictive mathematical models and test their validity through the assessment of their predictive accuracy relative to experimental results. Traditionally, the approach to quantify modeling uncertainty is to examine the uncertainty associated with each of the critical model parameters and to propagate this through the model to obtain an estimate of uncertainty in model predictions. This approach is referred to as the "bottom-up" approach. However, parametric uncertainty does not account for all sources of the differences between model predictions and experimental observations, such as model form uncertainty and experimental uncertainty due to the variability of test conditions, measurements and data processing. Uncertainty quantification (UQ) based directly on the differences between model predictions and experimental data is referred to as the "top-down" approach. This paper discusses both the top-down and bottom-up approaches and uses the respective stochastic models to assess the validity of a joint model with respect to experimental data not used to calibrate the model, i.e. random vibration versus sine test data. Practical examples based on joint modeling and testing performed by Sandia are presented and conclusions are drawn as to the pros and cons of each approach.

The operation of space reactors for both in-space and planetary operations will require unprecedented levels of autonomy and control. Development of these autonomous control systems will require dynamic system models, effective control methodologies, and autonomous control logic. This paper briefly describes the results of reactor, power-conversion, and control models that are implemented in SIMULINK™ (Simulink, 2004). SIMULINK™ is a development environment packaged with MatLab™ (MatLab, 2004) that allows the creation of dynamic state flow models. Simulation modules for liquid metal, gas cooled reactors, and electrically heated systems have been developed, as have modules for dynamic power-conversion components such as, ducting, heat exchangers, turbines, compressors, permanent magnet alternators, and load resistors. Various control modules for the reactor and the power-conversion shaft speed have also been developed and simulated. The modules are compiled into libraries and can be easily connected in different ways to explore the operational space of a number of potential reactor, power-conversion system configurations, and control approaches. The modularity and variability of these SIMULINK™ models provides a way to simulate a variety of complete power generation systems. To date, both Liquid Metal Reactors (LMR), Gas Cooled Reactors (GCR), and electric heaters that are coupled to gas-dynamics systems and thermoelectric systems have been simulated and are used to understand the behavior of these systems. Current efforts are focused on improving the fidelity of the existing SIMULINK™ modules, extending them to include isotopic heaters, heat pipes, Stirling engines, and on developing state flow logic to provide intelligent autonomy. The simulation code is called RPC-SIM (Reactor Power and Control-Simulator). © 2005 American Institute of Physics.

Achieving good scalability for large simulations based on structured adaptive mesh refinement is non-trivial. Performance is limited by the partitioner's ability to efficiently use the underlying parallel computer's resources. Domainbased partitioners serve as a foundation for techniques designed to improve the scalability and they have traditionally been designed on the basis of an independence assumption regarding the computational flow among grid patches at different refinement levels. But this assumption does not hold in practice. Hence the effectiveness of these techniques is significantly impaired. This paper introduces a partitioning method designed on the true premises. The method is tested for four different applications exhibiting different behaviors. The results show that synchronization costs on average can he reduced by 75 percent. The conclusion is that the method is suitable as a foundation in general hierarchical methods designed to improve the scalability of structured adaptive mesh refinement applications.

A number of space and terrestrial power system designs plan to use nuclear reactors that are coupled to Closed-loop Brayton Cycle (CBC) systems to generate electrical power. Because very little experience exists regarding the operational behavior of these systems, Sandia National Laboratories (through its Laboratory Directed Research and Development program) is developing a closed-loop test bed that can be used to determine the operational behavior of these systems and to validate models for these systems. Sandia has contracted Barber-Nichols Corporation to design, fabricate, and assemble a Closed-loop Brayton Cycle (CBC) system. This system was developed by modifying commercially available hardware. It uses a 30 kWe Capstone C-30 gas-turbine unit (www.capstoneturbine.com) with a modified housing that permits the attachment of an electrical heater and a water cooled chiller that are connected to the turbo-machinery in a closed loop. The test-loop reuses the Capstone turbine, compressor, and alternator. The Capstone system's nominal operating point is 1150 K turbine inlet temperature at 96,000 rpm. The annular recuperator and portions of the Capstone control system (inverter) and starter system are also reused. The rotational speed of the turbo-machinery is controlled either by adjusting the alternator load by either using the electrical grid or a separate load bank. This report describes the test-loop hardware SBL-30 (Sandia Brayton Loop-30kWe). Also presented are results of early testing and modeling of the unit. The SBL-30 hardware is currently configured with a heater that is limited to 80 kWth with a maximum outlet temperature of ∼1000 K. © 2005 American Institute of Physics.

Most pin type reactor designs for space power or terrestrial applications group the fuel pins into a number of relatively large fuel pin bundles or subassemblies. Fuel bundles for terrestrial liquid metal fast breeders reactors typically use 217 - 271 pins per sub-assembly, while some SP100 designs use up to 331 pins in a central subassembly that was surrounded by partial assemblies. Because thermal creep is exponentially related to temperature, small changes in fuel pin cladding temperature can make large differences in the lifetime in a high temperature liquid metal reactor (LMR). This paper uses the COBRA-IV-I computer code to determine the temperature distribution within LMR fuel bundles. COBRA-IV-I uses the sub-channel analysis approach to determine the enthalpy (or temperature) and flow distribution in rod bundles for both steady-state and transient conditions. The COBRA code runs in only a few seconds and has been benchmarked and tested extensively over a wide range of flow conditions. In this report the flow and temperature distributions for two types of lithium cooled space reactor core designs were calculated. One design uses a very tight fuel pin packing that has a pitch to diameter ratio of 1.05 (small wire wrap with a diameter of 392 μm) as proposed in SP100. The other design uses a larger pitch to diameter ratio of 1.09 with a larger more conventional sized wire wrap diameter of 1 mm. The results of the COBRA pin bundle calculations show that the larger pitch-to-diameter fuel bundle designs are more tolerant to local flow blockages, and in addition they are less sensitive to mal-flow distributions that occur near the edges of the subassembly. © 2005 American Institute of Physics.

Latency and bandwidth are usually considered to be the dominant factor in parallel application performance; however, recent studies have indicated that support for independent progress in MPI can also have a significant impact on application performance. This paper leverages the Cplant system at Sandia National Labs to compare a faster, vendor provided MPI library without independent progress to an internally developed MPI library that sacrifices some performance to provide independent progress. The results are surprising. Although some applications see significant negative impacts from the reduced network performance, others are more sensitive to the presence of independent progress. © 2005 IEEE.

Simulations of a low-speed square cylinder wake and a supersonic axisymmetric base wake are performed using the Detached Eddy Simulation (DES) model. A reduced-dissipation form of the Symmetric TVD scheme is employed to mitigate the effects of dissipative error in regions of smooth flow. The reduced-dissipation scheme is demonstrated on a 2D square cylinder wake problem, showing a dramatic increase in accuracy for a given grid resolution. The results for simulations on three grids of increasing resolution for the 3D square cylinder wake are compared to experimental data and to other LES and DES studies. The comparisons of mean flow and global mean flow quantities to experimental data are favorable, while the results for second order statistics in the wake are mixed and do not always improve with increasing spatial resolution. Comparisons to LES studies are also generally favorable, suggesting DES provides an adequate subgrid scale model. Predictions of base drag and centerline wake velocity for the supersonic wake are also good, given sufficient grid refinement. These cases add to the validation library for DES and support its use as an engineering analysis tool for accurate prediction of global flow quantities and mean flow properties.

A Ka-Band RF MEMS enabled frequency reconfigurable triangular microstrip patch antenna has been designed for monolithic integration with RF MEMS phase shifters to demonstrate a low-cost monolithic passive electronically scanned array (PESA). This paper introduces our first prototype reconfigurable triangular patch antenna currently in fabrication. The aperture coupled patch antenna is fabricated on a dual-layer quartz/alumina substrate using surface micromachining techniques. Full-wave MoM simulation results will be compared to laboratory measurements in the oral presentation. © 2005 IEEE.

Advances in FPGA technology have led to dramatic improvements in double precision floating-point performance. Modern FPGAs boast several GigaFLOPs of raw computing power. Unfortunately, this computing power is distributed across 30 floating-point units with over 10 cycles of latency each. The user must find two orders of magnitude more parallelism than is typically exploited in a single microprocessor; thus, it is not clear that the computational power of FPGAs can be exploited across a wide range of algorithms. This paper explores three implementation alternatives for the Fast Fourier Transform (FFT) on FPGAs. The algorithms are compared in terms of sustained performance and memory requirements for various FFT sizes and FPGA sizes. The results indicate that FPGAs are competitive with microprocessors in terms of performance and that the "correct" FFT implementation varies based on the size of the transform and the size of the FPGA. © 2005 IEEE.

In modal testing, the most popular tools for exciting a structure are hammers and shakers. This paper reviews the applications for which shakers have an advantage. In addition the advantages and disadvantages of different forcing inputs (e.g. sinusoidal, random, burst random and chirp) that can be applied with a shaker are noted. Special considerations are reported for the fixtures required for shaker testing (blocks, force gages, stingers) to obtain satisfactory results. Various problems that the author has encountered during single and multi-shaker modal tests are described with their solutions.

This paper provides an overview of several approaches to formulating and solving optimization under uncertainty (OUU) engineering design problems. In addition, the topic of high-performance computing and OUU is addressed, with a discussion of the coarse- and fine-grained parallel computing opportunities in the various OUU problem formulations. The OUU approaches covered here are: sampling-based OUU, surrogate model-based OUU, analytic reliability-based OUU (also known as reliability-based design optimization), polynomial chaos-based OUU, and stochastic perturbation-based OUU.

Latin Hypercube Sampling (LHS) is widely used as sampling based method for probabilistic calculations. This method has some clear advantages over classical random sampling (RS) that derive from its efficient stratification properties. However, one of its limitations is that it is not possible to extend the size of an initial sample by simply adding new simulations, as this will lead to a loss of the efficient stratification associated with LHS. We describe a new method to extend the size of an LHS to n (>=2) times its original size while preserving both the LHS structure and any induced correlations between the input parameters. This method involves introducing a refined grid for the original sample and then filling in empty rows and columns with new data in a way that conserves both the LHS structure and any induced correlations. An estimate of the bounds of the resulting correlation between two variables is derived for n=2. This result shows that the final correlation is close to the average of the correlations from the original sample and the new sample used in the infilling of the empty rows and columns indicated above.

There have been many papers proposing the use of logarithmic numbers (LNS) as an alternative to floating point because of simpler multiplication, division and exponentiation computations [1,4-9,13]. However, this advantage comes at the cost of complicated, inexact addition and subtraction, as well as the need to convert between the formats. In this work, we created a parameterized LNS library of computational units and compared them to an existing floating point library. Specifically, we considered multiplication, division, addition, subtraction, and format conversion to determine when one format should be used over the other and when it is advantageous to change formats during a calculation. © 2005 IEEE.

Chemiresistor microsensors have been developed to provide continuous in-situ detection of volatile organic compounds (VOCs). The chemiresistor sensor is packaged in a rugged, waterproof housing that allows the device to detect VOCs in air, soil, and water. Preconcentrators are also being developed to enhance the sensitivity of the chemiresistor sensor. The "micro- hotplate" preconcentrator is placed face-to-face against the array of chemiresistors inside the package. At prescribed intervals, the preconcentrator is heated to desorb VOCs that have accumulated on the sorbent material on the one-micron-thick silicon-nitride membrane. The pulse of higher-than-ambient concentration of VOC vapor is then detected by the adjacent chemiresistors. The plume is allowed to diffuse out of the package through slots adjacent to the preconcentrator. The integrated chemiresistor/preconcentrator sensor has been tested in the laboratory to evaluate the impacts of sorbent materials, fabrication methods, and repeated heating cycles on the longevity and performance of the sensor. Calibration methods have also been developed, and field tests have been initiated. Copyright ASCE 2005.

Real-time water quality and chemical-specific sensors are becoming more commonplace in water distribution systems. The overall objective of the sensor network is to protect consumers from accidental and malevolent contamination events occurring within the distribution network. This objective can be quantified several different ways including: minimizing the amount of contaminated water consumed, minimizing the extent of the contamination within the network, minimizing the time to detection, etc. We examine the ability of a sensor network to meet these objectives as a function of both the detection limit of the sensors and the number of sensors in the network. A moderately-sized network is used as an example and sensors are placed randomly. The source term is a passive injection into a node and the resulting concentration in the node is a function of the volumetric flow through that node. The concentration of the contaminant at the source node is averaged for all time steps during the injection period. For each combination of a certain number of sensors and a detection limit, the mean values of the different objectives across multiple random sensor placements are evaluated. Results of this analysis allow the tradeoff between the necessary detection limit in a sensor and the number of sensors to be evaluated. Results show that for the example problem examined here, a sensor detection limit of 0.01 of the average source concentration is adequate for maximum protection. Copyright ASCE 2005.

Previously unpublished results from multiscalar point measurements in the series of piloted CH4/air jet flames [R.S. Barlow, J.H. Frank, Proc. Combust. Inst. 27 (1998) 1087-1095] are presented and analyzed. The emphasis is on features of the data that reveal the relative importance of molecular diffusion and turbulent transport in these flames. The complete series A-F is considered. This includes laminar, transitional, and turbulent flames spanning a range in Reynolds number from 1100 to 44,800. Results on conditional means of species mass fractions, the differential diffusion parameter, and the state of the water-gas shift reaction all show that there is an evolution in these flames from a scalar structure dominated by molecular diffusion to one dominated by turbulent transport. Long records of 6000 single-point samples at each of several selected locations in flame D are used to quantify the cross-stream (radial) dependence of conditional statistics of measured scalars. The cross-stream dependence of the conditional scalar dissipation is determined from 6000-shot, line-imaging measurements at selected locations. The cross-stream dependence of reactive scalars, which is most significant in the near field of the jet flame, is attributed to radial differences in both convective and local time scales of the flow. Results illustrate some potential limitations of common modeling assumptions when applied to laboratory-scale flames and, thus, provide a more complete context for interpretation of comparisons between experiments and model calculations. © 2005 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

We have developed and implemented a method which given a three-dimensional object can infer from topology the two-dimensional masks needed to produce that object with surface micromachining. This design tool calculates the two-dimensional mask set required to produce a given three-dimensional model by investigating the vertical topology to the model. The 3D model is first separated into bodies that are non-intersecting, made from different materials or only linked through a ground plane. Next, for each body unique horizontal cross sections are located and arranged into a tree based on their topological relationship. A branch-wise search of the tree uncovers locations where deposition boundaries must lie and identifies candidate masks creating a generic mask set for the 3D model. Finally, in the last step specific process requirements are considered that may constrain the generic mask set.

The effects of ozone (O 3) on tin oxide growth rates from mixtures of monobutyltintrichloride (MBTC), O 2 and H 2O are reported. The results indicate that O 3 increases the growth rate under kinetically controlled conditions (MBTC + O 2, 25 torr), but under mass-transport-control (200 torr and/or addition of H 2O to the reactant gases), growth rates are either unaffected or decrease. Kinetic modeling of the gas-phase reactions suggests that O, H, and OH radicals react at the surface to increase the growth rate, but higher pressures reduce their concentrations via recombination. In addition, higher pressures result in increased concentrations of less reactive tin halides, which are decomposition products of MBTC. It appears that when H 2O is a reactant, these radicals reduce the concentration of the tin oxide precursor (thought to be an MBTC-H 2O complex), which significantly decreases the growth rate.

The simulated annealing algorithm is used to seek optimal radiant heater configurations that provide a desired distribution of incident radiant energy onto a surface. The problem is motivated by a need to create well-understood boundary conditions that simulate fire environments. A bank of halogen lamps irradiates the back of a thin black plate (called a shroud), which simulates the fire environment. For such fire simulations, shroud temperatures routinely exceed 1000°C and thermal radiation is the dominant mode of heat transfer. The test specimen is then heated by placing it in front of the shroud. The panel, accommodating the radiant heaters (lamps), provides equally spaced slots all of which are powered at the same voltage. Lamp positioning is crucial to obtaining a uniform temperature on the shroud, but determining the best positioning of the lamps experimentally through trial and error has proven difficult. The discrete optimization problem searches possible lamp configurations by simulating adding or removing lamps from the panel. Inverse heat transfer methods have been successfully applied to similar problems. Applying inverse heat transfer methods to this problem, the desired boundary conditions on the shroud are used to solve for the required heater settings. Two boundary conditions are needed: the temperature profile and the heat flux profile on the shroud. The heat flux profile is determined by calculating the radiation heat transfer between the shroud and the test object. However, because the heaters used in the design can only assume discrete positions and are all maintained at the same power level, traditional inverse methods fail. A discrete inverse radiation heat transfer solution method is needed. In this study, a simulated annealing optimization routine is used to determine optimal heater positions given desired boundary conditions on the shroud. Computational characteristics of simulated annealing are presented as well as results of the optimization. Copyright © 2005 by ASME.

Thermal conduction codes can be used as solvers for the diffusion approximation for radiation heat transfer. Energy fluxes and temperature distributions that result from thermal radiation in an optically-thick participating medium can be estimated. Allowing dependence on temperatures from either side of the interface, a contact resistance algorithm can be used to implement "jump" (or slip) boundary conditions appropriate for the diffusion approximation in solving the radiation transfer equation. For steady, pure radiation (no conduction) systems analytical expressions exist to specify the temperature in the radiating medium at the wall as a function of the wall temperature, wall emissivity, and extinction coefficient. Radiation and conduction solutions for gray, absorbing/emitting and conducting media bound by diffuse surfaces for the simple case of the steady planar layer are considered. Reference solutions are developed by detailed zone-methods solving the coupled differential forms of both the radiation and conduction heat transfer equations. From the reference solutions, empirical relations are developed for surface resistance as functions of the local wall and adjacent media temperatures, the wall emissivity, the absorptivity, and the thermal conductivity of the medium. Performance of the approximate solution is compared to the reference solutions. Copyright © 2005 by ASME.

We investigate the accuracy of chemical transport in network models for small geometric configurations. Network model have successfully simulated the general operations of large water distribution systems. However, some of the simplifying assumptions associated with the implementation may cause inaccuracies if chemicals need to be carefully characterized at a high level of detail. In particular, we are interested in precise transport behavior so that inversion and control problems can be applied to water distribution networks. As an initial phase, Navier Stokes combined with a convection-diffusion formulation was used to characterize the mixing behavior at a pipe intersection in two dimensions. Our numerical models predict only on the order of 12-14 % of the chemical to be mixed with the other inlet pipe. Laboratory results show similar behavior and suggest that even if our numerical model is able to resolve turbulence, it may not improve the mixing behavior. This conclusion may not be appropriate however for other sets of operating conditions, and therefore we have started to develop a 3D implementation. Preliminary results for duct geometry are presented. © copyright ASCE 2005.

Described below are major electromagnetic test facilities at Sandia National Laboratories; each has undergone recent upgrades. This paper will discuss each facility, their uses, and upgrades pertaining to the facilities performance and diagnostic capabilities. The facilities discussed here are the Sandia Lightning Simulator, the Electromagnetic Environments Simulator, the Mode-Stirred Chamber, and Anechoic Chamber. Sandia's expertise in electromagnetics also extends to theoretical analysis and modeling, which can be done in conjunction with tests or experiments. © 2005 IEEE.

We present the design and implementation of InfoStar, an adaptive visual analytics platform for mobile devices such as PDAs, laptops, Tablet PCs and mobile phones, InfoStar extends the reach of visual analytics technology beyond the traditional desktop paradigm to provide ubiquitous access to interactive visualizations of information spaces. These visualizations are critical in addressing the knowledge needs of human agents operating in the field, in areas as diverse as business, homeland security, law enforcement, protective services, emergency medical services and scientific discovery. We describe an initial real world deployment of this technology, in which the InfoStar platform has been used to offer mobile access to scheduling and venue information to conference attendees at Supercomputing 2004. © 2005 IEEE.

Laboratory and field developments are underway to use solar energy to power a desalination technology - capacitive deionization - for water produced by remote Coal Bed Methane (CBM) natural gas wells. Due to the physical remoteness of many CBM wells throughout the Southwestern U.S., as shown in Figure 1, this approach may offer promise. This promise is not only from its effectiveness in removing salt from CBM water and allowing it to be utilized for various applications, but also for its potentially lower energy consumption compared to other technologies, such as reverse osmosis. This, coupled with the remoteness (Figure 1) of thousands of these wells, makes them more feasible for use with photovoltaic (solar, electric, PV) systems. Concurrent laboratory activities are providing information about the effectiveness and energy requirements of each technology under various produced water qualities and water reuse applications, such as salinity concentrations and water flows. These parameters are being used to driving the design of integrated PV-powered treatment systems. Full-scale field implementations are planned, with data collection and analysis designed to optimize the system design for practical remote applications. Early laboratory studies of capacitive deionization have shown promise that at common CBM salinity levels, the technology may require less energy, is less susceptible to fouling, and is more compact than equivalent reverse osmosis (RO) systems. The technology uses positively and negatively charged electrodes to attract charged ions in a liquid, such as dissolved salts, metals, and some organics, to the electrodes. This concentrates the ions at the electrodes and reduces the ion concentrations in the liquid. This paper discusses the results of these laboratory studies and extends these results to energy consumption and design considerations for field implementation of produced water treatment using photovoltaic systems.

This paper discusses issues that arise in controlling high quality mechanical shock inputs for mock hardware in order to validate a model of a bolted connection. The dynamic response of some mechanical components is strongly dependent upon the behavior of their bolted connections. The bolted connections often provide the only structural load paths into the component and can be highly nonlinear. Accurate analytical modeling of bolted connections is critical to the prediction of component response to dynamic loadings. In particular, it is necessary to understand and correctly model the stiffness of the joint and the energy dissipation (damping) that is a nonlinear function of the forces acting on the joint. Frequency-rich shock inputs composed of several decayed sinusoid components were designed as model validation tests and applied to a test item using an electrodynamic shaker. The test item was designed to isolate the behavior of the joint of interest and responses were dependent on the properties of the joints. The nonlinear stiffness and damping properties of the test item under study presented a challenge in isolating behavior of t4he test hardware from the stiffness, damping and boundary conditions of the shaker. Techniques that yield data to provide a sound basis for model validation comparisons of the bolted joint model are described.

Lifetime prediction of polymeric materials often requires extrapolation of accelerated aging data with the suitability and confidence in such approaches being subject to ongoing discussions. This paper reviews the evidence of non-Arrhenius behaviour (curvature) instead of linear extrapolations in polymer degradation studies. Several studies have emphasized mechanistic variations in the degradation mechanism and demonstrated changes in activation energies but often data have not been fully quantified. To improve predictive capabilities a simple approach for dealing with curvature in Arrhenius plots is examined on a basis of two competing reactions. This allows for excellent fitting of experimental data as shown for some elastomers, does not require complex kinetic modelling, and individual activation energies are easily determined. Reviewing literature data for the thermal degradation of polypropylene a crossover temperature (temperature at which the two processes equally contribute) of ∼83 °C was determined, with the high temperature process having a considerably higher activation energy (107-156 kJ/mol) than the low temperature process (35-50 kJ/mol). Since low activation energy processes can dominate at low temperatures and longer extrapolations result in larger uncertainties in lifetime predictions, experiments focused on estimating Ea values at the lowest possible temperature instead of assuming straight line extrapolations will lead to more confident lifetime estimates. © 2005 Elsevier Ltd. All rights reserved.

We report the results of experiments using a small Q-switched Nd:YAG laser at 532 and 1064 nm to trigger a 170-kV pulse-charged water switch. 1-σ jitters as low as ±1.7 ns were demonstrated; an order of magnitude improvement over the ±25-ns jitter of the switch in its self-breaking mode. At the optimum observed triggering wavelength of 532 nm, a 7-ns laser pulse gave better results than a 0.15-ns laser pulse. Time resolved optical diagnostics suggest a multistage triggering process in which the laser forms a string of point plasmas between the switch electrodes. These point plasmas expand, cool and merge, forming a vapor column between the electrodes that breaks down rapidly with low jitter. © 2005 IEEE.

The research goal presented here is to model the electrical response of gold plated copper electrical contacts exposed to a mixed flowing gas stream consisting of air containing 10ppb H 2S at 30°C and a relative humidity of 70% This environment accelerates the attack normally observed in a light industrial environment (similar to, but less severe than, the Battelle class 2 environment). Corrosion rates were quantified by measuring the corrosion site density, size distribution, and the electrical resistance of a probe contact with the aged surface, as a function of exposure time. A pore corrosion numerical model was used to predict both the growth of copper sulfide corrosion product which blooms through defects in the gold layer and the resulting electrical contact resistance of the aged surface. Assumptions about the distribution of defects in the noble metal plating and the mechanism for how corrosion blooms affect electrical contact resistance were needed to close the numerical model. Comparisons are made to the experimentally observed corrosion-bloom number density, bloom size distribution, and the cumulative probability distribution of the electrical contact resistance. Experimentally, the bloom site density increases as a function of time, whereas the bloom size distribution remains relatively independent of time. These two effects are included in the numerical model by adding a corrosion initiation probability proportional to the surface area and a probability for bloom-growth extinction proportional to the bloom volume, due to Kirkendall voiding. The cumulative probability distribution of electrical resistance becomes skewed as exposure time increases. While the resistance increases as a function of time for a fraction of the bloom population, the median value remains relatively unchanged. In order to model this behavior, the resistance calculated for large blooms is heavily weighted by contributions from the halo region.

VisTrails is a new system that enables interactive multiple-view visualizations by simplifying the creation and maintenance of visualization pipelines, and by optimizing their execution. It provides a general infrastructure that can be combined with existing visualization systems and libraries. A key component of VisTrails is the visualization trail (vistrail), a formal specification of a pipeline. Unlike existing dataflow-based systems, in VisTrails there is a clear separation between the specification of a pipeline and its execution instances. This separation enables powerful scripting capabilities and provides a scalable mechanism for generating a large number of visualizations. VisTrails also leverages the vistrail specification to identify and avoid redundant operations. This optimization is especially useful while exploring multiple visualizations. When variations of the same pipeline need to be executed, substantial speedups can be obtained by caching the results of overlapping subsequences of the pipelines. In this paper, we describe the design and implementation of VisTrails, and show its effectiveness in different application scenarios. © 2005 IEEE.

In light of difficulties in realizing a carbohydrate fuel cell that can run on animal or plant carbohydrates, a study was carried out to fabricate a membrane separated, platinum cathode, enzyme anode fuel cell, and test it under both quiescent and flow through conditions. Mediator loss to the flowing solution was the largest contributor to power loss. Use of the phenazine derivative mediators offered decent open circuit potentials for half cell and full cell performance, but suffered from quick loss to the solution which hampered long term operation. A means to stabilize the phenazine molecules to the electrode would need to be developed to extend the lifetime of the cell beyond its current level of a few hours. This is an abstract of a paper presented ACS Fuel Chemistry Meeting (Washington, DC Fall 2005).

This paper is about making reversible logic a reality for supercomputing. Reversible logic offers a way to exceed certain basic limits on the performance of computers, yet a powerful case will have to be made to justify its substantial development expense. This paper explores the limits of current, irreversible logic for supercomputers, thus forming a threshold above which reversible logic is the only solution. Problems above this threshold are discussed, with the science and mitigation of global warming being discussed in detail. To further develop the idea of using reversible logic in supercomputing, a design for a 1 Zettaflops supercomputer as required for addressing global climate warming is presented. However, to create such a design requires deviations from the mainstream of both the software for climate simulation and research directions of reversible logic. These deviations provide direction on how to make reversible logic practical. Copyright 2005 ACM.

As electronic assemblies become more compact and with increased processing bandwidth, the escalating thermal energy has become more difficult to manage. The major limitation has been nonmetallic joining using poor thermal interface materials (TIM). The interfacial, versus bulk, thermal conductivity of an adhesive is the major loss mechanism and normally accounts for an order magnitude loss in conductivity per equivalent thickness. The next generation TIM requires a sophisticated understanding of material and surface sciences, heat transport at sub-micron scales and the manufacturing processes used in packaging of microelectronics and other target applications. Only when this relationship between bondline manufacturing processes, structure and contact resistance is well understood on a fundamental level, would it be possible to advance the development of miniaturized microsystems. We give the status of the study of thermal transport across these interfaces.