Detonation cell widths, which provide a measure of detonability of a mixture, were measured for hydrocarbon-air and hydrogen-air-diluent mixtures. Results were obtained from a 0.43-m-diameter, 13.1-m-long heated detonation tube with an initial pressure of 101 kPa and an initial temperature between 25 and 100°C. The cell widths of simple cyclic hydrocarbons are somewhat smaller than those of comparable straight-chain alkanes. Cyclic hydrocarbons tested generally had similar cell sizes despite differences in degree of bond saturation, bond strain energy, oxygen substitution, and chemical structure. There was a significant reduction in the cell width of octane, a straight-chain alkane, when it was mixed with small quantities of hexyl nitrate. The effect of a diluent, such as steam and carbon dioxide, on the cell width of a hydrogen-air mixture is shown over a wide range of mixture stoichiometries. The data illustrate the effects of initial temperature and pressure on the cell width when compared to previous studies. Not only is carbon dioxide more effective than steam at increasing the mixture cell width, but also its effectiveness increases relative to that of steam with increasing concentrations. The detonability limits, which are dependent on the facility geometry and type of initiator used in this study, were measured for fuel-lean and fuel-rich hydrogen-air mixtures and stoichiometric hydrogen-air mixtures diluted with steam. The detonability limits are nominally at the flammability limits for hydrogen-air mixtures. The subcellular structure within a fuel-lean hydrogen-air detonation cell was recorded using a sooted foil. The uniform fine structure of the self-sustained transverse wave and the irregular structure of the overdriven lead shock wave are shown at the triple point path that marks the boundary between detonation cells.
The results of experiments examining the thermal decomposition of N 2 O and its reactivity with methane in supercritical water at approximately 500°C and 30 MPa are presented. The rate of thermal decomposition is observed to be close to the rate predicted by extrapolating an Arrhenius expression from the literature that has been shown to be valid at 750°C and 1.0 MPa. The observed first-order rate constant at 500°C is 9.4 × 10 -6 s -1 . There is no significant effect on N 2 O stability due to the presence of supercritical water relative to ambient pressure. Measurements exploring the conversion rate of methane in the presence of N 2 O reveal that simple oxidation chemistry competes with polymerization. The data suggest that much of the carbon in the system is converted to (CH 2 ) n oligomers that separates from the supercritical phase. A detailed kinetic mechanism is used to explore characteristics of these competing processes.
Direct numerical simulation (DNS) with complex chemistry was used to study statistics of displacement and consumption speeds in turbulent lean premixed methane-air flames. The main focus of the study is an evaluation of the extent to which a turbulent flame in the thin reaction zones regime can be described by an ensemble of strained laminar flames. Conditional averages with respect to strain for displacement and consumption speeds are presented over a wide range of strain typically encountered in a turbulent flame, compared with previous studies that either made local pointwise comparisons or conditioned the data on small strain and curvature. The conditional averages for positive strains are compared with calculated data from two different canonical strained laminar configurations to determine which is the optimal representation of a laminar flame structure embedded in a turbulent flame: the reactant-to-product (R-to-P) configuration or the symmetric twin flame configuration. Displacement speed statistics are compared for the progress-variable isosurface of maximum reaction rate and an isosurface toward the fresh gases, which are relevant for both modeling and interpretation of experiment results. Displacement speeds in the inner reaction layer are found to agree very well with the laminar R-to-P calculations over a wide range of strain for higher Damköhler number conditions, well beyond the regime in which agreement was expected. For lower Damköhler numbers, a reduced response to strain is observed, consistent with previous studies and theoretical expectations. Compared with the inner layer, broader and shifted probability density functions (PDFs) of displacement speed were observed in the fresh gases, and the agreement with the R-to-P calculations deteriorated. Consumption speeds show a poorer agreement with strained laminar calculations, which is attributed to multidimensional effects and a more attenuated unsteady response to strain fluctuations; however, they also show less departure from the unstrained laminar value, suggesting that detailed modeling of this quantity may not be critical for the conditions considered. For all quantities investigated, including CO production, the R-to-P laminar configuration provides an improved description relative to the twin flame configuration, which predicts qualitatively incorrect trends and overestimates extinction.
Domain decomposed Monte Carlo codes, like other domain-decomposed codes, are difficult to debug. Domain decomposition is prone to error, and interactions between the domain decomposition code and the rest of the algorithm often produces subtle bugs. These bugs are particularly difficult to find in a Monte Carlo algorithm, in which the results have statistical noise. Variations in the results due to statistical noise can mask errors when comparing the results to other simulations or analytic results. If a code can get the same result on one domain as on many, debugging the whole code is easier. This reproducibility property is also desirable when comparing results done on different numbers of processors and domains. We describe how reproducibility, to machine precision, is obtained on different numbers of domains in an Implicit Monte Carlo photonics code.
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.
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.
We investigate the utility of dual-pump coherent anti-Stokes Raman scattering (CARS) for investigations of fuel-rich flames with soot volume loadings up to 2.2 ppm. Our initial characterization of a gas-phase propellant simulating burner is presented. The burner investigated consists of alternating fuel and oxidizer tubes with the option for injection of aluminum particles into the flame. We focus on a C2H2-N2-O2 flame, in which no aluminum particles are yet added. For the required flow rates, this burner provides an array of heavily sooting and highly luminous diffusion flames whose temperature is measured by dual-pump CARS. The nature of the observed soot-induced interference in the CARS spectra for several different pump 2 frequencies is documented and CARS temperatures obtained from data in a spectrally "quiet" region, with the CARS signal beam near 483 nm, are presented. Soot volume fractions are imaged by absorption-calibrated laser-induced incandescence (LII) to quantify the soot loadings at which our dual-pump CARS facility provides reliable measurements.
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.
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.
Three-dimensional direct numerical simulation of a spatially developing slot-burner Bunsen flame has been performed. The simulation is aimed at better understanding the dynamics of turbulent premixed flames in the thin reaction zones regime. A reduced chemical model for methane-air chemistry consisting of 13 resolved species, 4 quasi-steady state species and 73 elementary reactions has been developed specifically for the current simulation. Using the new chemical model a lean premixed methane-air flame at preheated conditions and ambient pressure is simulated. The simulation is performed long enough to achieve statistical stationarity. The data is analyzed to study possible influences of turbulence on the flame thickness. The results show that the average flame thickness increases, in agreement with a few, although not unanimous, experimental results.
We demonstrate use of a Jacobian-Free Newton-Krylov solver to enable strong thermal coupling at the interface between a solid body and an external compressible fluid. Our method requires only information typically used in loose coupling based on successive substitution and is implemented within a multi-physics framework. We present results for two external flows over thermally conducting solid bodies obtained using both loose and strong coupling strategies. Performance of the two strategies is compared to elucidate both advantages and caveats associated with strong coupling.
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.
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.
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.
Sandia National Laboratories has developed a new technique for testing in a combined linear acceleration and vibration environment. Amplified piezo-electric actuator assemblies are used in combination with Sandia's 29-ft centrifuge facility to surpass the load capabilities of previous attempts using traditional mechanical shaker systems. The piezoelectric actuators are lightweight, modular and overcome several limitations presented by a mechanical shaker. They are 'scalable', that is, adding more piezo-electric units in parallel or in series can support larger-weight test articles or wider range of 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 of the new piezo-electric Vibrafuge.
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.
The trajectory and entrainment properties of a transverse jet are important to a variety of engineering applications. This study seeks to develop actuation strategies that manipulate the penetration, spread, and vortical structures of the tranverse jet, based on simple vorticity perturbations at the nozzle edge. We use three-dimensional vortex simulations of a transverse jet at high Reynolds number to examine four prototypical actuations, all at a jet-to-crossflow velocity ratio of r = 7. These actuations include a delta-tab on the windward edge of the jet nozzle as well as periodic modulations and inversions of wall-normal vorticity in the shear layer. Small modifications to the vorticity on nascent shear layer are found to have a significant impact on the jet evolution - creating jets that remain confined and penetrate further into the crossflow, or, alternately, jets that quickly spread in the spanwise direction and bend downstream. Vorticity perturbations also hasten or delay the formation of counter-rotating vorticity by modifying the folding of shear-layer segments.
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.
This meeting will continue to cover fundamentals and applications of photoionization and photodetachment, including valence and core-level phenomena and applications to reaction dynamics, ultrashort laser pulses and the study of exotic molecules and anions.
Nanostructured materials are the basis for emerging technologies, such as MEMS, NEMS, sensors, and flexible electronics, that will dominate near term advances in nanotechnology. These technologies are often based on devices containing layers of nanoscale polymer, ceramic and metallic films and stretchable interconnects creating surfaces and interfaces with properties and responses that differ dramatically from bulk counterparts. The differing properties can induce high interlaminar stresses that lead to wrinkling, delamination, and buckling in compression [1,2], and film fracture and decohesion in tension. [3] However, the relationships between composition, structure and properties, and especially adhesion and fracture, are not well-defined at the nanoscale. These relationships are critical to assuring performance and reliability of nanostructured materials and devices. They are also critical for building materials science based predictive models of structure and behavior.
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.
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.
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.
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.
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.
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.
Micro Total Analysis Systems - Proceedings of MicroTAS 2006 Conference: 10th International Conference on Miniaturized Systems for Chemistry and Life Sciences
Micro Total Analysis Systems - Proceedings of MicroTAS 2006 Conference: 10th International Conference on Miniaturized Systems for Chemistry and Life Sciences