Boyles, Katie A.; LeBeau, Gerald J.; Gallis, Michael A.
Three-dimensional Direct Simulation Monte Carlo simulations of Columbia Shuttle Orbiter flight STS-107 are presented. The aim of this work is to determine the aerodynamic and heating behavior of the Orbiter during aerobraking maneuvers and to provide piecewise integration of key scenario events to assess the plausibility of the candidate failure scenarios. The flight of the Orbiter is examined at two altitudes: 350-kft and 300-kft. The flowfield around the Orbiter and the heat transfer to it are calculated for the undamaged configuration. The flow inside the wing for an assumed damage to the leading edge in the form of a 10- inch hole is studied.
This report covers the basic design of the Sandia downhole geothermal reservoir monitoring system. The monitoring system can operate continuously at temperatures up to 240°C (464°F) while measuring small pressure and temperature changes in reservoirs. Future improvements in the existing system will come from research and development programs by such agencies as NASA, JPL, USAF and NETL. An explanation of the benefits of this research to the Geothermal HT electronics program will be given.
Recent attempts to fabricate free-standing MEMS structures using electrodeposited Ni have run into difficulty due to the curvatures that result from stress gradients intrinsic to electrodeposition. We have investigated the intrinsic stress behavior during electrodeposition of Ni from an additive-free sulfamate bath. It was determined that the stress during the first 1000 Å of growth was dependent only on the substrate materials, whereas the stress after that point was dependent on the deposition rate. Additionally, the stress in this region was found to be independent of the stress-state of the underlying material. Therefore, by varying the plating dynamically during deposition it is possible to reduce or eliminate the curvature in Ni MEMS structures.
The effect of variable demands at short time scales on the transport of a solute through a water distribution network has not previously been studied. We simulate flow and transport in a small water distribution network using EPANET to explore the effect of variable demand on solute transport across a range of hydraulic time step scales from 1 minute to 2 hours. We show that variable demands at short time scales can have the following effects: smoothing of a pulse of tracer injected into a distribution network and increasing the variability of both the transport pathway and transport timing through the network. Variable demands are simulated for these different time step sizes using a previously developed Poisson rectangular pulse (PRP) demand generator that considers demand at a node to be a combination of exponentially distributed arrival times with log-normally distributed intensities and durations. Solute is introduced at a tank and at three different network nodes and concentrations are modeled through the system using the Lagrangian transport scheme within EPANET. The transport equations within EPANET assume perfect mixing of the solute within a parcel of water and therefore physical dispersion cannot occur. However, variation in demands along the solute transport path contribute to both removal and distortion of the injected pulse. The model performance measures examined are the distribution of the Reynolds number, the variation in the center of mass of the solute across time, and the transport path and timing of the solute through the network. Variation in all three performance measures is greatest at the shortest time step sizes. As the scale of the time step increases, the variability in these performance measures decreases. The largest time steps produce results that are inconsistent with the results produced by the smaller time steps.
In multispectral imaging, automated cross-spectral (band-to-band) image registration is difficult to achieve with a reliability approaching 100%. This is particularly true when registering infrared to visible imagery, where contrast reversals are common and similarity is often lacking. Algorithms that use mutual information as a similarity measure have been shown to work well in the presence of contrast reversal. However, weak similarity between the long-wave infrared (LWIR) bands and shorter wavelengths remains a problem. A method is presented in this paper for registering multiple images simultaneously rather than one pair at a time using a multivariate extension of the mutual information measure. This approach improves the success rate of automated registration by making use of the information available in multiple images rather than a single pair. This approach is further enhanced by including a cyclic consistency check, for example registering band A to B, B to C, and C to A. The cyclic consistency check provides an automated measure of success allowing a different combination of bands to be used in the event of a failure. Experiments were conducted using imagery from the Department of Energy's Multispectral Thermal Imager satellite. The results show a significantly improved success rate.
Calcium fluoride is a desirable material for optical design of space systems in the ultraviolet, visible, and infrared bands. Modern calcium fluoride materials fabricated for the photolithography industry are highly resistant to space radiation. The wide wavelength band and low dispersion are also desirable properties. Unfortunately, calcium fluoride has a host of significant material property issues which hinder its use in the space environment. Low hardness, susceptibility to thermal and mechanical shock, and large coefficient of thermal expansion present significant challenges during development of opto-mechanical designs. Sandia National Laboratories Monitoring Systems and Technology Center has fielded a calcium fluoride based optical system for use in space. The Sandia design solution is based upon a spring-loaded mount which uses no volatile organic compounds. The theory of the Sandia solution is developed and design rules are presented. The Sandia design solution is illustrated for a specific example. Example design and margin calculations are shown. Finally, lessons learned from our design realization and qualification testing efforts are shared for the benefit of the community.
While hyperspectral imaging systems are increasingly used in remote sensing and offer enhanced scene characterization relative to univariate and multispectral technologies, it has proven difficult in practice to extract all of the useful information from these systems due to overwhelming data volume, confounding atmospheric effects, and the limited a priori knowledge regarding the scene. The need exists for the ability to perform rapid and comprehensive data exploitation of remotely sensed hyperspectral imagery. To address this need, this paper describes the application of a fast and rigorous multivariate curve resolution (MCR) algorithm to remotely sensed thermal infrared hyperspectral images. Employing minimal a priori knowledge, notably non-negativity constraints on the extracted endmember profiles and a constant abundance constraint for the atmospheric upwelling component, it is demonstrated that MCR can successfully compensate thermal infrared hyperspectral images for atmospheric upwelling and, thereby, transmittance effects. We take a semi-synthetic approach to obtaining image data containing gas plumes by adding emission gas signals onto real hyperspectral images. MCR can accurately estimate the relative spectral absorption coefficients and thermal contrast distribution of an ammonia gas plume component added near the minimum detectable quantity.
We've generated high-quality flat-top spatial profiles from a modified Continuum Powerlite 9010 Nd:YAG laser using the Gaussian-to-flat-top refractive beam shaper available from Newport Corporation. The Powerlite is a flashlamp-pumped, Q-switched, injection-seeded Nd:YAG laser manufactured in 1993 that delivers ∼ 1.6 J at 10 Hz using an oscillator and two 9 mm diameter amplifier rods. While its pulse energy is impressive, its beam-quality is typically poor, an all too common characteristic of research-grade Nd:YAG lasers manufactured in the late 1980's and early 1990's. Structure in its near-field spatial fluence profile is reminiscent of round-aperture diffraction that is superposed with additional "hot spots." These characteristics are largely due to poor beam quality from the oscillator coupled with over-filled amplifier rods, and reflect a design philosophy from the era of organic dye lasers. When these older laser systems are used for tasks like pumping optical parametric oscillators (OPO's), or for other applications demanding good beam quality, their designs are simply inadequate. To improve the 9010's beam quality we spatially filter the oscillator beam and remove the resulting Airy rings with an iris, then collimate and magnify the remaining central disk so its diameter is appropriate for input to the refractive shaper. The output of the beam shaper is then double-pass amplified through two amplifier rods with thermally induced focusing compensated by a negative lens before the first pass and by a convex mirror before the second pass. Using this approach we've obtained single-pass energy exceeding 250 mJ with little degradation of the flat-top profile and ∼ 950 mJ after double pass amplification. After double-passing the two amplifier rods the beam suffers some degradation in symmetry and uniformity, but is still much improved compared to the beam obtained using the 9010's original factory configuration. We find the modified 9010's fiat-top profile improves conversion efficiency when used for our applications in crystal nonlinear optics.
Transmission measurements of niobium and zirconium at both extreme-ultraviolet (EUV) and ultraviolet, visible, and near infrared (UV/Vis/NIR) wavelengths are presented. Thin foils of various thicknesses mounted on nickel mesh substrates were measured, and these data were used to calculate the optical constants δ and β of the complex refractive index n = 1-δ+iβ. β values were calculated directly from the measured transmittance of the foils after normalizing for the nickel mesh. The average β values for each set of foils are presented as a function of wavelength. The real (dispersive) part of the refractive index, δ was then calculated from Kramers-Kronig analysis by combining these β values with those from previous experimental data and the atomic tables.
Historically tracking systems have provided limited quantitative data such as approximate range, speed, and trajectory. Today's tracking systems are now being tasked with accurately quantifying a broader range of dynamic state variables (e.g., absolute and relative position, orientation, linear and angular velocity/acceleration, spin rate, trajectory, angle of attack, angle of impact) for high-speed test articles. This information is needed to demonstrate that the required test conditions are achieved, to develop, validate, and apply predictive models, and to document a system's response to a test environment. Few existing and emerging optical tracking methods accurately provide the dynamic state variables. Even fewer quantify the measurement uncertainty. Past measurement error estimates have been either qualitative or lacked the rigor needed to accurately validate and apply predictive models. This presentation will discuss tracking options and approaches for characterizing tracking measurement uncertainty.
Transmission electron microscope (TEM) tomography provides three-dimensional structural information from tilt series with nanoscale resolution. We have collected TEM projection data sets to study the internal structure of photocatalytic nanoparticles. Multiple cross-sectional slices of the nanoparticles are reconstructed using an algebraic reconstruction technique (ART) and then assembled to form a 3D rendering of the object. We recently upgraded our TEM with a new sample holder having a tilt range of ±70° and have collected tomography data over a range of 125°. Simulations were performed to study the effects of field-of-view displacement (shift and rotation), limited tilt angle range, hollow (missing) projections, stage angle accuracy, and number of projections on the reconstructed image quality. This paper discusses our experimental and computational approaches, presents some examples of TEM tomography, and considers future directions.
Proceedings of SPIE - The International Society for Optical Engineering
Majumdar, Amlan; Choi, K.K.; Reno, John L.; Tsui, D.C.
We present the design and fabrication of voltage tunable two-color superlattice infrared photodetectors (SLIPs), where the detection wavelength switches from the long-wavelength infrared (LWIR) range to the mid-wavelength infrared (MWIR) range upon reversing the polarity of applied bias. The photoactive region of these detectors contains multiple periods of two distinct short-period SLs that are designed for MWIR and LWIR detection. The voltage tunable operation is achieved by using two types of thick blocking barriers between adjacent SLs - undoped barriers on one side for low energy electrons and heavily-doped layers on the other side for high energy electrons. We grew two SLIP structures by molecular beam epitaxy. The first one consists of two AlGaAs/GaAs SLs with the detection range switching from the 7-11 μm band to the 4-7 μm range on reversing the bias polarity. The background-limited temperature is 55 and 80 K for LWIR and MWIR detection, respectively. The second structure comprises of strained InGaAs/GaAs/AlGaAs SLs and AlGaAs/GaAs SLs. The detection range of this SLIP changes from the 8-12 μm band to the 3-5 μm band on switching the bias polarity. The background-limited temperature is 70 and 110 K for LWIR and MWIR detection, respectively. This SLIP is the first ever voltage tunable MWIR/LWIR detector with performance comparable to those of one-color quantum-well infrared detectors designed for the respective wavelength ranges. We also demonstrate that the corrugated light coupling scheme, which enables normal-incidence absorption, is suitable for the two-color SLIPs. Since these SLIPs are two-terminal devices, they can be used with the corrugated geometry for the production of low-cost large-area two-color focal plane arrays.
Under traditional fire PRA methods, operating experience was used primarily to support statistical analysis of fire frequencies for specific plant locations and/or specific classes of fire ignition sources. While this application of the data continues, recent efforts to improve fire PRA methods, tools, and data are drawing more widely on insights from operating experience. This paper will describe some of the ways in which operating experience is being used to support fire PRA development activities.
Tetrahydrofurfuryl alcohol (H-OTHF) was successfully reacted with a series of aluminum alkyls (AlR{sub 3}) to yield compounds of the general formula [R{sub 2}Al({mu}-OTHF)]{sub 2} where R = CH{sub 3} (1), CH{sub 2}CH{sub 3} (2), and CH{sub 2}CH(CH{sub 3}){sub 2} (3). Further, reactivity studies showed that the alkyls for 1 were easily exchanged, forming compounds of the general formula [Me(OR)Al({mu}-OTHF)]{sub 2} where OR = OC{sub 6}H{sub 3}(Me){sub 2}-2,6 (4), OC{sub 6}H{sub 3}(CMe{sub 3}){sub 2}-2,6 (5a), and OSi(C{sub 6}H5){sub 3} (6). For 5a, reflux temperatures were required to get the full exchange; otherwise the asymmetric derivative [Me(OR)Al({mu}-OTHF){sub 2}AlMe{sub 2}] (5b) was isolated. The bulk powders of 1-6 were found to be in agreement with the crystal structures on the basis of elemental analyses and multinuclear solid state NMR studies. Multinuclear solution state NMR studies indicate that the alkyl OTHF derivatives have cis/trans isomers due to the chiral proton on the OTHF ligand.
The synthesis and characterization of a family of alternative precursors for the production of CdE nanoparticles (E = S, Se, and Te) is reported. The reaction of Cd(NR{sub 2}){sub 2} where NR{sub 2} = N(SiMe{sub 3}){sub 2} with n HOR led to the isolation of the following: n = 1 [Cd({mu}-OCH{sub 2}CMe{sub 3})(NR{sub 2})(py)]{sub 2} (1, py = pyridine), Cd[({mu}-OC{sub 6}H{sub 3}(Me){sub 2}-2,6){sub 2}Cd(NR{sub 2})(py)]{sub 2} (2), [Cd({mu}-OC{sub 6}H{sub 3}(CHMe{sub 2}){sub 2}-2,6)(NR{sub 2})(py)]{sub 2} (3), [Cd({mu}-OC{sub 6}H{sub 3}(CMe{sub 3}){sub 2}-2,6)(NR{sub 2})(py)]{sub 2} (4), [Cd({mu}-OC{sub 6}H{sub 2}(NH{sub 2}){sub 3}-2,4,6)(NR{sub 2})(py)]{sub 2} (5), and n = 2 [Cd({mu}-OC{sub 6}H{sub 3}(Me){sub 2}-2,6)(OC{sub 6}H{sub 3}(Me){sub 2}-2,6)(py){sub 2}]{sub 2} (6), and [Cd({mu}-OC{sub 6}H{sub 3}(CMe{sub 3}){sub 2}-2,6)(OC{sub 6}H{sub 3}(CMe{sub 3}){sub 2}-2,6)(THF)]{sub 2} (7). For all but 2, the X-ray crystal structures were solved as discrete dinuclear units bridged by alkoxide ligands and either terminal -NR{sub 2} or -OR ligands depending on the stoichiometry of the initial reaction. For 2, a trinuclear species was isolated using four {mu}-OR and two terminal -NR{sub 2} ligands. The coordination of the Cd metal center varied from 3 to 5 where the higher coordination numbers were achieved by binding Lewis basic solvents for the less sterically demanding ligands. These complexes were further characterized in solution by {sup 1}H, {sup 13}C, and {sup 113}Cd NMR along with solid-state {sup 113}Cd NMR spectroscopy. The utility of these complexes as 'alternative precursors' for the controlled preparation of nanocrystalline CdS, CdSe, and CdTe was explored. To synthesize CdE nanocrystals, select species from this family of compounds were individually heated in a coordinating solvent (trioctylphosphine oxide) and then injected with the appropriate chalcogenide stock solution. Transmission electron spectroscopy and UV-vis spectroscopy were used to characterize the resultant particles.
This paper presents a three-dimensional generalization of the bridging scale concurrent method, a finite temperature multiple scale method that couples molecular dynamics (MD) to finite elements (FE). The generalizations include the numerical calculation of the boundary condition acting upon the reduced MD region, as such boundary conditions are analytically intractable for realistic three-dimensional crystal structures. The formulation retains key advantages emphasized in previous papers, particularly the compact size of the resulting time history kernel matrix. The coupled FE and reduced MD equations of motion are used to analyze dynamic fracture in a three-dimensional FCC lattice, where interesting physical phenomena such as crack branching are seen. The multiple scale results are further compared to benchmark MD simulations for verification purposes.
The junction temperature of AlGaN/GaN ultraviolet (UV) Light-Emitting Diodes (LEDs) emitting at 295 nm is measured by using the temperature coefficients of the diode forward volt-age and emission peak energy. The high-energy slope of the spectrum is explored to measure the carrier temperature. A linear relation between junction temperature and current is found. Analysis of the experimental methods reveals that the diode-forward voltage is the most accurate method (,,b 3 ,,aC). A theoretical model for the dependence of the diode junction voltage (Vj) on junction temperature (T) is developed that takes into account the temperature dependence of the energy gap. A thermal resistance of 87.6 K/W is obtained with the AlGaN/GaN LED sample mounted with thermal paste on a heat sink.
Thermal stratification has the potential to reduce pressure-rise rates and allow increased power output for HCCI engines. This paper systematically examines how the amount of thermal stratification of the core of the charge has to be adjusted to avoid excessive knock as the engine speed and fueling rate are increased. This is accomplished by a combination of multi-zone chemical-kinetics modeling and engine experiments, using iso-octane as the fuel. The experiments show that, for a low-residual engine configuration, the pressure traces are self-similar during changes to the engine speed when CA50 is maintained by adjusting the intake temperature. Consequently, the absolute pressure-rise rate measured as bar/ms increases proportionally with the engine speed. As a result, the knocking (ringing) intensity increases drastically with engine speed, unless counteracted by some means. This paper describes how adjustments of the thermal width of the in-cylinder charge can be used to limit the ringing intensity to 5 MW/m2 as both engine speed and fueling are increased. If the thermal width can be tailored without constraints, this enables smooth operation even for combinations of high speed, high load, and combustion phasing close to TDC. Since large alterations of the thermal width of the charge are not always possible, combustion retard is considered to reduce the requirement on the thermal stratification. The results show that combustion retard carries significant potential since it amplifies the benefit of a fixed thermal width. Therefore, the thermal stratification required for operation with an acceptable knocking intensity can be decreased substantially by the use of combustion retard. This enables combinations of high engine speed and high fueling rate even for operation with the naturally occurring thermal stratification. However, very precise control of the combustion phasing will likely be required for such operation.
The solution of the governing steady transport equations for momentum, heat and mass transfer in fluids undergoing non-equilibrium chemical reactions can be extremely challenging. The difficulties arise from both the complexity of the nonlinear solution behavior as well as the nonlinear, coupled, non-symmetric nature of the system of algebraic equations that results from spatial discretization of the PDEs. In this paper, we briefly review progress on developing a stabilized finite element ( FE) capability for numerical solution of these challenging problems. The discussion considers the stabilized FE formulation for the low Mach number Navier-Stokes equations with heat and mass transport with non-equilibrium chemical reactions, and the solution methods necessary for detailed analysis of these complex systems. The solution algorithms include robust nonlinear and linear solution schemes, parameter continuation methods, and linear stability analysis techniques. Our discussion considers computational efficiency, scalability, and some implementation issues of the solution methods. Computational results are presented for a CFD benchmark problem as well as for a number of large-scale, 2D and 3D, engineering transport/reaction applications.
This study investigates algebraic multilevel domain decomposition preconditioners of the Schwarz type for solving linear systems associated with Newton-Krylov methods. The key component of the preconditioner is a coarse approximation based on algebraic multigrid ideas to approximate the global behavior of the linear system. The algebraic multilevel preconditioner is based on an aggressive coarsening graph partitioning of the non-zero block structure of the Jacobian matrix. The scalability of the preconditioner is presented as well as comparisons with a two-level Schwarz preconditioner using a geometric coarse grid operator. These comparisons are obtained on large-scale distributed-memory parallel machines for systems arising from incompressible flow and transport using a stabilized finite element formulation. The results demonstrate the influence of the smoothers and coarse level solvers for a set of 3D example problems. For preconditioners with more than one level, careful attention needs to be given to the balance of robustness and convergence rate for the smoothers and the cost of applying these methods. For properly chosen parameters, the two- and three-level preconditioners are demonstrated to be scalable to 1024 processors.
Least-squares finite-element methods for Darcy flow offer several advantages relative to the mixed-Galerkin method: the avoidance of stability conditions between finite-element spaces, the efficiency of solving symmetric and positive definite systems, and the convenience of using standard, continuous nodal elements for all variables. However, conventional C{sup o} implementations conserve mass only approximately and for this reason they have found limited acceptance in applications where locally conservative velocity fields are of primary interest. In this paper, we show that a properly formulated compatible least-squares method offers the same level of local conservation as a mixed method. The price paid for gaining favourable conservation properties is that one has to give up what is arguably the least important advantage attributed to least-squares finite-element methods: one can no longer use continuous nodal elements for all variables. As an added benefit, compatible least-squares methods inherit the best computational properties of both Galerkin and mixed-Galerkin methods and, in some cases, yield identical results, while offering the advantages of not having to deal with stability conditions and yielding positive definite discrete problems. Numerical results that illustrate our findings are provided.
The effect of block copolymers on the cocontinuous morphology of 50/50 (w/w) polystyrene (PS)/high density polyethylene (HDPE) blends was investigated using symmetric polystyrene-polyethylene block copolymers (PS-PE) with molecular weights varying from 6 to 200 kg/mol. The coarsening rate during annealing was compared to the Doi-Ohta theory. An intermediate molecular weight PS-PE, 40 kg/mol, showed remarkable results in reducing the phase size and stabilizing the blend morphology during annealing. Mixing small amounts of 6, 100 or 200 kg/mol PS-PE in the blend did not reduce the phase size significantly, but did decrease the coarsening rate during annealing. In stabilizing the morphology, 6 kg/mol PS-PE was inferior to 100 and 200 kg/mol. The existence of an optimal molecular weight block copolymer is due to a balance between the ability of the block copolymer to reach the interface and its relative stabilization effect at the interface.
We present nanometer-scale resolution, ballistic electron emission microscopy (BEEM) studies of Au/octanedithiol/n-GaAs (001) diodes. The presence of the molecule dramatically increases the BEEM threshold voltage and displays an unusual transport signature as compared to reference Au/GaAs diodes. Furthermore, BEEM images indicate laterally inhomogeneous interfacial structure. We present calculations that address the role of the molecular layer at the interface. Our results indicate that spatially resolved measurements add new insight to studies using conventional spatial-averaging techniques.
The enthalpies of formation of hydrotalcite-like phases containing Mg and Al and intercalated with NO{sub 3}{sup -}, Cl{sup -}, I{sup -}, ReO{sub 4}{sup -}, or CO{sub 3}{sup 2-} were determined using high-temperature oxide melt and room-temperature acid solution calorimetry. The relative stability of phases bearing the various anions was gauged by comparing the enthalpy of formation from the single-cation components ({Delta}{sub f}H{sup scc}). Trends relating {Delta}{sub f}H{sup scc} to the nature of intercalating anions (halides, NO{sub 3}{sup -}, and CO{sub 3}{sup 2-}) show small stabilization from the mechanical mixtures of single-cation components. The aim of this study was to relate the enthalpy of formation to the nature of interlayer bonding in hydrotalcite-like compounds (HTLCs) bearing various anions, to uncover trends in the relative aqueous solubilities of these phases. The entropy of formation of these compounds was estimated using an approximation based on third-law entropy measurements for the compound Mg{sub 0.74}Al{sub 0.26}(OH){sub 2}(CO{sub 3}){sub 0.13} {center_dot} 0.39H{sub 2}O which were performed in a previous study. This approximation for the third-law entropy was combined with the enthalpy data from our calorimetric measurements performed in this work in order to calculate the standard-state free energy of formation for the HTLCs. The solubility products for the compounds investigated in this study were calculated from these free energies of formation and were used in geochemical calculations. The results of these calculations support our previous hypothesis that carbonate-intercalated HTLCs are less soluble than phases bearing other anions such as nitrates and halides. We suspect that the solubilities of HTLCs bearing anions other than carbonate may correspond to the solubilities of single-cation phases bearing the same anions.
A finite control volume numerical model was used to estimate the relative magnitude of natural convection and radiation in small enclosures with a cylindrical obstruction. The enclosure had a height of 2.54 cm, widths between 5.08 cm and 10.16 cm, depth of 5.08 cm, and obstruction diameters between 0.51 cm and 1.52 cm. Temperatures ranging from 310 K to 1275 K were placed on the right boundary. These temperatures represented heating from a pool fuel fire. Simulations were run for an hour to determine the temperature response inside the enclosure and obstruction. Another simulation was run where the right boundary temperature was stepped by 40 K/min to represent a transient temperature ramp up from a fire. When two conditions are met, natural convection can be ignored, and only enclosure radiation is necessary for reaching a solution within 10% of results when all heat transfer modes are included. These conditions are when the right boundary temperatures are continuously above 800 K or when the temperature change was 40 K/min or more.
Molecular electronic based chemical vapor sensors were assembled using noble metal nanoparticles and short conjugated phenylene ethynylene (PE) based molecules. Sacrificial capping ligands on the nanoparticles were replaced by tighter binding PE ligands. The films were assembled between pairs of electrodes by iteratively exposing the substrates to solutions of the nanoparticles and PE crosslinking bridging ligands. Some of the conjugated bridging molecules contained an electron deficient phenol to provide a simple platform for developing sensor applications. The phenol is calculated to have a significant change in its HOMO/LUMO gap in the presence of specific analytes. Judicious combination of nanoparticle size and ligand structure provides a film in which the organic bridging ligands dramatically affect film conductance. Specifically, π-conjugated ligands lower resistance more in films with smaller nanoparticles. Thus the sensing mechanism of these films is not based on the typical swelling mechanism but rather on the modulation of the molecular electronic structure of the conducting PE bridging ligands.
Proceedings of SPIE - The International Society for Optical Engineering
Lasater, Matthew S.; Kelley, C.T.; Salinger, Andrew G.; Woolard, Dwight; Zhao, Peiji
Resonant tunneling diodes (RTDs) are ultra-small semiconductor devices that have potential as very high frequency oscillators. To describe the electron transport within these devices, the Wigner-Poisson Equations are used. These equations incorporate quantum mechanics to describe how the electron distribution changes in time due to kinetic energy, potential energy, and scattering effects. To study the RTD, we apply numerical continuation methods to calculate the steady-state electron distribution as the voltage difference across the RTD varies. To implement the continuation methods, the RTD simulator is interfaced to LOCA (Library of Continuation Algorithm), a software library that is a part of Sandia National Laboratories' parallel solver package, Trilinos. With more sophisticated numerical solvers, we are able to calculate solutions on finer grids that were previously too computationally intensive. This is very important to allow for detailed studies of correlation effects which may dramatically influence oscillatory behavior in RTD-based devices. The more accurate results derived from this work reveal new physical effects that were absent in prior studies. Hence, these physics-based and more refined numerical simulations will provide new insights and greatly facilitate the future optimization of RTD-based oscillator sources and thus has important relevance to THz-frequency-regime based spectroscopic sensing technology.
An AlGaN Light-emitting diode (LED) emitting with a peak wavelength at 291 nm and a radiant power of 0.5 mW @ 100 mA was fabricated on a sapphire substrate. A compact gated fluorescence detection system was built using this LED as the excitation light source. We demonstrate that it provides sufficient power using Terbium enhanced fluorescence to detect subnanomolar concentrations of dipicolinic acid (DPA, 2, 6-pyridinedicarboxylic acid), a substance uniquely present in bacterial spores such as that from B. anthracis, providing a basis for convenient early warning detectors. We also describe initial results from a novel approach for biological aerosol detection using long lived fluorescence from a Europium tagged dye that binds to proteins.
Laser Engineered Net Shaping (LENS) is being evaluated for use as a metal component repair/modification process for the NWC. An aspect of the evaluation is to better understand the characteristics of the interface between LENS deposited material and the substrate on which it is deposited. A processing and metallurgical evaluation was made on LENS processed material fabricated for component qualification tests. A process parameter evaluation was used to determine optimum build parameters and these parameters were used in the fabrication of tensile test specimens to study the characteristics of the interface between LENS deposited material and several types of substrates. Analyses of the interface included mechanical properties, microstructure, and metallurgical integrity. Test samples were determined for a variety of geometric configurations associated with interfaces between LENS deposited material and both wrought base material and previously deposited LENS material. Thirteen different interface configurations were fabricated for evaluation representing a spectrum of deposition conditions from complete part build, to hybrid substrate-LENS builds, to repair builds for damaged or re-designed housings. Good mechanical properties and full density were observed for all configurations. When tested to failure, fracture occurred by ductile microvoid coalescence. The repair and hybrid interfaces showed the same metallurgical integrity as, and had properties similar to, monolithic LENS deposits.
We present a novel class of dynamic neural networks that is capable of learning, in an unsupervised manner, attractors that correspond to generalities in a data set. Upon presentation of a test stimulus, the networks follow a sequence of attractors that correspond to subsets of increasing size or generality in the original data set. The networks, inspired by those of the insect antennal lobe, build upon a modified Hopfield network in which nodes are periodically suppressed, global inhibition is gradually strengthened, and the weight of input neurons is gradually decreased relative to recurrent connections. This allows the networks to converge on a Hopfield network's equilibrium within each suppression cycle, and to switch between attractors in between cycles. The fast mutually reinforcing excitatory connections that dominate dynamics within cycles ensures the robust error-tolerant behavior that characterizes Hopfield networks. The cyclic inhibition releases the network from what would otherwise be stable equilibriums or attractors. Increasing global inhibition and decreasing dependence on the input leads successive attractors to differ, and to display increasing generality. As the network is faced with stronger inhibition, only neurons connected with stronger mutually excitatory connections will remain on; successive attractors will consist of sets of neurons that are more strongly correlated, and will tend to select increasingly generic characteristics of the data. Using artificial data, we were able to identify configurations of the network that appeared to produce a sequence of increasingly general results. The next logical steps are to apply these networks to suitable real-world data that can be characterized by a hierarchy of increasing generality and observe the network's performance. This report describes the work, data, and results, the current understanding of the results, and how the work could be continued. The code, data, and preliminary results are included and are available as an archive.
Relationships to determine the probability that a weak link (WL)/strong link (SL) safety system will fail to function as intended in a fire environment are investigated. In the systems under study, failure of the WL system before failure of the SL system is intended to render the overall system inoperational and thus prevent the possible occurrence of accidents with potentially serious consequences. Formal developments of the probability that the WL system fails to deactivate the overall system before failure of the SL system (i.e., the probability of loss of assured safety, PLOAS) are presented for several WWSL configurations: (i) one WL, one SL, (ii) multiple WLs, multiple SLs with failure of any SL before any WL constituting failure of the safety system, (iii) multiple WLs, multiple SLs with failure of all SLs before any WL constituting failure of the safety system, and (iv) multiple WLs, multiple SLs and multiple sublinks in each SL with failure of any sublink constituting failure of the associated SL and failure of all SLs before failure of any WL constituting failure of the safety system. The indicated probabilities derive from time-dependent temperatures in the WL/SL system and variability (i.e., aleatory uncertainty) in the temperatures at which the individual components of this system fail and are formally defined as multidimensional integrals. Numerical procedures based on quadrature (i.e., trapezoidal rule, Simpson's rule) and also on Monte Carlo techniques (i.e., simple random sampling, importance sampling) are described and illustrated for the evaluation of these integrals. Example uncertainty and sensitivity analyses for PLOAS involving the representation of uncertainty (i.e., epistemic uncertainty) with probability theory and also with evidence theory are presented.
Several ingredients being considered by the U.S. Army for the development of new insensitive munitions have been examined. One set of ingredients consists of 2,4-dinitrophenylhydrazine (DNPH) and hexahydro-1,3,5-trinitro-s-triazine (RDX). In this set, the decomposition of the mixture was examined to determine whether adding DNPH to RDX would generate a sufficient quantity of gas to rupture the case of a munition prior to the onset of the rapid reaction of RDX, thus mitigating the violence of reaction. The second set of ingredients consists of three different reduced sensitivity RDX (RS-RDX) powders manufactured by SNPE and Dyno-Nobel. In this set, the objective was to determine properties of RS-RDX powders that may distinguish them from normal RDX powder and may account for their reduced shock sensitivity. The decomposition reactions and sublimation properties of these materials were examined using two unique instruments: the simultaneous thermogravimetric modulated beam mass spectrometry (STMBMS) instrument and the Fourier Transform ion cyclotron resonance (FTICR) mass spectrometry instrument. These instruments provide the capability to examine the details of decomposition reactions in energetic materials. DNPH does not appear to be a good candidate to mitigate the violence of the RDX reaction in a munition. DNPH decomposes between 170 C and 180 C. When mixed with RDX it decomposes between 155 C and 170 C. It decomposes to form 1,3-dintrobenzene (DNB), ammonia, water and nitrogen. Of these compounds only nitrogen and ammonia are capable of generating high pressures within a munition. When DNPH is mixed with RDX, the DNB formed in the decomposition of DNPH interacts with RDX on the surface of the RDX powder leading to a higher rate of formation of CH2O and N2O. The CH2O is consumed by reaction with DNPH to form 2-methylene-1-(2,4-dintrophenyl)hydrazine. As a result, DNPH does not generate a large quantity of gas that will lead to rupture of a munition case. Another compound to consider as an additive is 2-oxo-1,3,5-trinitro-1,3,5-triazacyclohexane (K-6), which generates more gas in the required temperature range. Examination of several different RS-RDX materials has shown that their sublimation rates and decomposition behavior differ from Holston grade RDX. The results suggest that insensitive RDX materials from both SNPE and Dyno-Nobel may have a shell-like structure of RDX on the surface of the particles that is less stable and more reactive than the material in the core of the particles. The origin of this shell-like RDX structure is uncertain, but may be due to some aspect of the manufacturing process. It is possible that this less stable RDX on the surface of the particles may be more fluid than the interior of the particles, allowing more slip between the surface of the particles under impact or shock. This may play a role in the reduced shock sensitivity of the insensitive RDX materials. The results of over 50 experiments with DNPH, mixtures of DNPH and RDX and insensitive RDX are presented. The results characterize the decomposition behavior of each of these materials.
We developed an Augmented Musculature Device (AMD) that assists the movements of its wearer. It has direct application to aiding military and law enforcement personnel, the neurologically impaired, or those requiring any type of cybernetic assistance. The AMD consists of a collection of artificial muscles, each individually actuated, strategically placed along the surface of the human body. The actuators employed by the AMD are known as 'air muscles' and operate pneumatically. They are commercially available from several vendors and are relatively inexpensive. They have a remarkably high force-to-weight ratio--as high as 400:1 (as compared with 16:1 typical of DC motors). They are flexible and elastic, even when powered, making them ideal for interaction with humans.
An initial cost analysis of a proposed desalination process was performed. The proposed process utilizes tailored inorganic ion exchangers, hydrotalcite and permutite, to sequester anions and cations from a brackish water solution. Three different process scenarios were considered: (1) disposal of the spent exchangers as dry waste (2) conventional chemical regeneration, and (3) acid regeneration of permutite coupled with thermal (550 C) regeneration of hydrotalcite. Disposal of the resin and conventional regeneration are not viable options from an economic standpoint. Applying limited data and optimistic assumptions to the third scenario yielded an estimate of $2.34/kgal of product water. Published values for applying conventional reverse osmosis to similar water streams range from $0.70 to $2.65/kgal. Consistent with these baseline values, the Water Treatment Estimation Routine, WaTER, developed by the United States Department of the Interior, Bureau of Reclamation produced a cost estimate of $1.16/kgal for brackish water reverse osmosis.
The challenge of modeling the organization and function of biological membranes on a solid support has received considerable attention in recent years, primarily driven by potential applications in biosensor design. Affinity-based biosensors show great promise for extremely sensitive detection of BW agents and toxins. Receptor molecules have been successfully incorporated into phospholipid bilayers supported on sensing platforms. However, a collective body of data detailing a mechanistic understanding of membrane processes involved in receptor-substrate interactions and the competition between localized perturbations and delocalized responses resulting in reorganization of transmembrane protein structure, has yet to be produced. This report describes a systematic procedure to develop detailed correlation between (recognition-induced) protein restructuring and function of a ligand gated ion channel by combining single molecule fluorescence spectroscopy and single channel current recordings. This document is divided into three sections: (1) reported are the thermodynamics and diffusion properties of gramicidin using single molecule fluorescence imaging and (2) preliminary work on the 5HT{sub 3} serotonin receptor. Thirdly, we describe the design and fabrication of a miniaturized platform using the concepts of these two technologies (spectroscopic and single channel electrochemical techniques) for single molecule analysis, with a longer term goal of using the physical and electronic changes caused by a specific molecular recognition event as a transduction pathway in affinity based biosensors for biotoxin detection.
A mesoscale low-loss LIGA-micromachined conductor-backed coplanar waveguide is presented. The 517 {micro}m lines are the tallest uniplanar LIGA-fabricated microwave transmission lines to date, as well as the first to be constructed of copper rather than nickel. The conductor-backed micromachined CPW on quartz achieves a measured attenuation of 0.064 dB/cm at 15.5 GHz.
A unique composite nanoscale architecture that combines the self-organization and molecular dynamics of lipid membranes with a corrugated nanotextured silicon wafer was prepared and characterized with fluorescence microscopy and scanning probe microscopy. The goal of this project was to understand how such structures can be assembled for supported membrane research and how the interfacial interactions between the solid substrate and the soft, self-assembled material create unique physical and mechanical behavior through the confinement of phases in the membrane. The nanometer scale structure of the silicon wafer was produced through interference lithography followed by anisotropic wet etching. For the present study, a line pattern with 100 nm line widths, 200 nm depth and a pitch of 360 nm pitch was fabricated. Lipid membranes were successfully adsorbed on the structured silicon surface via membrane fusion techniques. The surface topology of the bilayer-Si structure was imaged using in situ tapping mode atomic force microscopy (AFM). The membrane was observed to drape over the silicon structure producing an undulated topology with amplitude of 40 nm that matched the 360 nm pitch of the silicon structure. Fluorescence recovery after photobleaching (FRAP) experiments found that on the microscale those same structures exhibit anisotropic lipid mobility that was coincident with the silicon substructure. The results showed that while the lipid membrane maintains much of its self-assembled structure in the composite architecture, the silicon substructure indeed influences the dynamics of the molecular motion within the membrane.
We have concluded a laboratory study to evaluate the survival potential of polymeric materials used for lost circulation plugs in geothermal wells. We learned early in the study that these materials were susceptible to hydrolysis. Through a systematic program in which many potential chemical combinations were evaluated, polymers were developed which tolerated hydrolysis for eight weeks at 500 F. The polymers also met material, handling, cost, and emplacement criteria. This screening process identified the most promising materials. A benefit of this work is that the components of the polymers developed can be mixed at the surface and pumped downhole through a single hose. Further strength testing is required to determine precisely the maximum temperature at which extrusion through fractures or voids causes failure of the lost circulation plug.
This plan describes the process for managing research generated medical waste at Sandia National Laboratories/California. It applies to operations at the Chemical and Radiation Detection Laboratory (CRDL), Building 968, and other biosafety level 1 or 2 activities at the site. It addresses the accumulation, storage, treatment and disposal of medical waste and sharps waste. It also describes the procedures to comply with regulatory requirements and SNL policies applicable to medical waste.
Having demonstrated the possibility of constructing nanoscale metallic vehicular bodies as described in last year's proposal, our goals have been to make uniform preparations of the metallized lipid assemblies and to determine the feasibility of powering these nanostructures with biological motors that are activated and driven by visible light. We desired that the propulsion system be constructed entirely by self-assembly and powered by a photocatalytic process partially already built into the nanovehicle. The nanovehicle we desire to build is composed of both natural biological components (ATPase, kinesin-microtubules) and biomimetic components (platinized liposomes, photosynthetic membrane) as functional units. The vehicle's body was originally envisioned to be composed of a surfactant liposomal bilayer coated with platinum nanoparticles, but instead of the expected nanoparticles we were able to grow dendritic 2-nm thick platinum sheets on the liposomes. Now, we have shown that it is possible to completely enclose the liposomes with sheeting to form porous platinum spheres, which show good structural stability as evidenced by their ability to survive the stresses of electron-microscopy sample preparation. Our goals were to control the synthesis of the platinized liposomes well enough to make uniform preparations of the coated individual liposomes and to develop the propulsion system for these nanovehicles a hydrogen-evolving artificial photosynthetic system in the liposomal bilayer that generates the pH gradient across the membrane that is necessary to drive the synthesis of ATP by ATP-synthase incorporated in the membrane. ATP produced would fuel the molecular motor (kinesin) attached to the vehicle, needing only light, storable ADP, phosphate, and an electron donor to be produced by ATP-synthase in the membrane. These research goals appear to be attainable, but growing the uniform preparations of the liposomes coated with dendritic platinum sheeting, a necessary accomplishment that would simplify the task of incorporating and verifying the photosynthetic function of the nanovehicle membrane, has proved to be difficult. The detailed understanding of the relative locations of surfactant and Pt in the liposomal bodies has also forced a change in the nanovehicle design strategies. Nevertheless, we have found no insurmountable obstacles to making these nanovehicles given a larger and longer term research effort. These nanovehicles could potentially respond to chemical gradients, light intensity, and field gradients, in the same manner that magnetic bacteria navigate. The cargo might include decision-making and guidance components, drugs and other biological and chemical agents, explosives, catalytic reactors, and structural materials.
As composites gain wider acceptance in all sectors of the economy, new methodologies must be developed to increase their cost effectiveness in manufacturing. The neoteric Resin Infusion between Double Flexible Tooling (RIDFT) process is undergoing modifications to improve its cost-effectiveness by developing methodologies for in-mold coating and the incorporation of UV curing. In-mold coating is desired by the composites industry since it eliminates the current paint process, which is not only laborious and time consuming, but expensive, and presents safety issues. Two methodologies (paint films and coinfusion) for implementing in-mold coating were investigated. It was demonstrated that thermoformable paint films could be used to produce coated RIDFTed components. Coinfusion was also successfully implemented. This work also investigated the feasibility of designing and incorporating a Cure on Demand system into the RIDFT process, using ultraviolet (UV) light for the curing of composite laminates. The objective was to develop a process for the RIDFT that would eliminate or reduce the inflexibility in the current production process, resulting in shortened production cycle times. UV-cured laminates were produced at a fraction of the time required to produce catalyst-cured laminates. Mechanical and material characterization tests were performed on each of the UV-cured laminates produced. The results were referenced against those obtained for laminates produced using a catalyst curing system to determine their overall quality. The UV-cured laminates, after undergoing tensile and rheological thermal tests, were found to have mechanical and material properties comparable, or in a few instances slightly better, than that of thermally cured laminates.
This white paper represents a summary of work intended to lay the foundation for development of a climatological/agent model of climate-induced conflict. The paper combines several loosely-coupled efforts and is the final report for a four-month late-start Laboratory Directed Research and Development (LDRD) project funded by the Advanced Concepts Group (ACG). The project involved contributions by many participants having diverse areas of expertise, with the common goal of learning how to tie together the physical and human causes and consequences of climate change. We performed a review of relevant literature on conflict arising from environmental scarcity. Rather than simply reviewing the previous work, we actively collected data from the referenced sources, reproduced some of the work, and explored alternative models. We used the unfolding crisis in Darfur (western Sudan) as a case study of conflict related to or triggered by climate change, and as an exercise for developing a preliminary concept map. We also outlined a plan for implementing agents in a climate model and defined a logical progression toward the ultimate goal of running both types of models simultaneously in a two-way feedback mode, where the behavior of agents influences the climate and climate change affects the agents. Finally, we offer some ''lessons learned'' in attempting to keep a diverse and geographically dispersed group working together by using Web-based collaborative tools.
Two major research areas pertinent to microelectromechanical systems (MEMS) materials and material surfaces were explored and developed in this 5-year PECASE LDRD project carried out by Professor Roya Maboudian and her collaborators at the University of California at Berkeley. In the first research area, polycrystalline silicon carbide (poly-SiC) was developed as a structural material for MEMS. This material is potentially interesting for MEMS because compared to polycrystalline silicon (polysilicon), the structural material in Sandia National Laboratories' SUMMiTV process, it may exhibit high wear resistance, high temperature operation and a high Young's modulus to density ratio. Each of these characteristics may extend the usefulness of MEMS in Sandia National Laboratories' applications. For example, using polycrystalline silicon, wear is an important issue in microengines, temperature degradation is of concern in thermal actuators and the characteristics of resonators can be extended with the same lithography technology. Two methods of depositing poly-SiC from a 1,3-disilabutane source at 650 C to 800 C by low-pressure chemical vapor deposition (LPCVD) were demonstrated. These include a blanket method in which the material is made entirely out of poly-SiC and a method to coat previously released and fabricated polysilicon MEMS. This deposition method is much simpler to use than previous methods such as high temperature LPCVD and atmospheric CVD. Other major processing issues that were surmounted in this LDRD with the poly-SiC film include etching, doping, and residual strain control. SiC is inert and as such is notoriously difficult to etch. Here, an HBr-based chemistry was demonstrated for the first time to make highly selective etching of SiC at high etch rates. Nitrogen was incorporated from an NH3 gas source, resulting in high conductivity films. Residual strain and strain gradient were shown to depend on deposition parameters, and can be made negative or positive. The tribology of poly-SiC was also investigated. Much improved release stiction and in-use stiction performance relative to polysilicon MEMS was found. Furthermore, wear of poly-SiC-coated MEMS was much reduced relative to uncoated polysilicon MEMS. A prototype baseline process flow now exists to produce poly-SiC in the Berkeley Sensor and Actuator (BSAC) facility. In the second project, galvanic deposition of metals onto polysilicon surfaces has been developed. The possible applications include reflective and optical coatings for optical MEMS, microswitches and microrelays for radio frequency MEMS and catalytic surfaces for microchemical reactors. In contrast to electroless deposition, galvanic displacement deposition requires no prior activation of the surface and is truly selective to silicon surfaces. This approach was used to deposit copper, gold and rhodium onto polysilicon MEMS. A method to study the adhesion of these metals to polysilicon was developed. It was also shown that the surfaces could be rendered hydrophobic by applying thiol-based self-assembled monolayers. This procedure also lowered their surface energy to {approx}3 {micro}J/m{sup 2}, consistent with monolayer-coated polysilicon MEMS.
This document, which is prepared as directed by the Compliance Order on Consent (COOC) issued by the New Mexico Environment Department, outlines a process to evaluate remedial alternatives to identify a corrective measure for the Sandia National Laboratories Tijeras Arroyo Groundwater (TAG). The COOC provides guidance for implementation of a Corrective Measures Evaluation (CME) for TAG. This Work Plan documents an initial screening of remedial technologies and presents a list of possible remedial alternatives for those technologies that passed the screening. This Work Plan outlines the methods for evaluating these remedial alternatives and describes possible site-specific evaluation activities necessary to estimate remedy effectiveness and cost. These methods will be reported in the CME Report. This Work Plan outlines the CME Report, including key components and a description of the corrective measures process.
This document, which is prepared as directed by the Compliance Order on Consent (COOC) issued by the New Mexico Environment Department, identifies and outlines a process to evaluate remedial alternatives to identify a corrective measure for the Sandia National Laboratories/New Mexico Technical Area (TA)-V Groundwater. The COOC provides guidance for implementation of a Corrective Measures Evaluation (CME) for the TA-V Groundwater. This Work Plan documents an initial screening of remedial technologies and presents a list of possible remedial alternatives for those technologies that passed the screening. This Work Plan outlines the methods for evaluating these remedial alternatives and describes possible site-specific evaluation activities necessary to estimate remedy effectiveness and cost. These methods will be reported in the CME Report. This Work Plan outlines the CME Report, including key components and a description of the corrective measures process.
This Guide describes a high level, technology-neutral framework for assessing potential benefits from and economic market potential for energy storage used for electric utility-related applications. In the United States use of electricity storage to support and optimize transmission and distribution (T&D) services has been limited due to high storage system cost and by limited experience with storage system design and operation. Recent improvement of energy storage and power electronics technologies, coupled with changes in the electricity marketplace, indicate an era of expanding opportunity for electricity storage as a cost-effective electric resource. Some recent developments (in no particular order) that drive the opportunity include: (1) states adoption of the renewables portfolio standard (RPS), which may increased use of renewable generation with intermittent output, (2) financial risk leading to limited investment in new transmission capacity, coupled with increasing congestion on some transmission lines, (3) regional peaking generation capacity constraints, and (4) increasing emphasis on locational marginal pricing (LMP).
Nano-electromechanical oscillators (NEMOs), capacitively-coupled radio frequency (RF) MEMS switches incorporating dissipative dielectrics, new processing technologies for tetrahedral amorphous carbon (ta-C) films, and scientific understanding of dissipation mechanisms in small mechanical structures were developed in this project. NEMOs are defined as mechanical oscillators with critical dimensions of 50 nm or less and resonance frequencies approaching 1 GHz. Target applications for these devices include simple, inexpensive clocks in electrical circuits, passive RF electrical filters, or platforms for sensor arrays. Ta-C NEMO arrays were used to demonstrate a novel optomechanical structure that shows remarkable sensitivity to small displacements (better than 160 fm/Hz {sup 1/2}) and suitability as an extremely sensitive accelerometer. The RF MEMS capacitively-coupled switches used ta-C as a dissipative dielectric. The devices showed a unipolar switching response to a unipolar stimulus, indicating the absence of significant dielectric charging, which has historically been the major reliability issue with these switches. This technology is promising for the development of reliable, low-power RF switches. An excimer laser annealing process was developed that permits full in-plane stress relaxation in ta-C films in air under ambient conditions, permitting the application of stress-reduced ta-C films in areas where low thermal budget is required, e.g. MEMS integration with pre-existing CMOS electronics. Studies of mechanical dissipation in micro- and nano-scale ta-C mechanical oscillators at room temperature revealed that mechanical losses are limited by dissipation associated with mechanical relaxation in a broad spectrum of defects with activation energies for mechanical relaxation ranging from 0.35 eV to over 0.55 eV. This work has established a foundation for the creation of devices based on nanomechanical structures, and outstanding critical research areas that need to be addressed for the successful application of these technologies have been identified.
On September 14-16, 2004, the Advanced Concepts Group of Sandia National Laboratories in conjunction with the University of Texas at El Paso and the North American Institute hosted a workshop (fest) designed to explore the concept of a North American continental approach to countering terrorism. The fest began with the basic premise that the successful defense of North America against the threat of terrorism will require close collaboration among the North American allies--Canada, Mexico and the U.S.--as well as a powerful set of information collection and analysis tools and deterrence strategies. The NorthAm Fest recast the notion of ''homeland defense'' as a tri-national effort to protect the North American continent against an evolving threat that respects no borders. This is a report of the event summarizing the ideas explored. The fest examined the uniqueness of dealing with terrorism from a tri-national North American viewpoint, the role and possible features of joint security systems, concepts for ideal continental security systems for North America, and the challenges and opportunities for such systems to become reality. The following issues were identified as most important for the advancement of this concept. (1) The three countries share a set of core values--democracy, prosperity and security--which form the basis for joint interactions and allow for the development of a culture of cooperation without affecting the sovereignty of the members. (2) The creation of a continental defensive strategy will require a set of strategic guidelines and that smart secure borders play a pivotal role. (3) Joint security systems will need to operate from a set of complementary but not identical policies and procedures. (4) There is a value in joint task forces for response and shared information systems for the prevention of attacks. (5) The private sector must play a critical role in cross-border interactions. Finally, participants envisioned a ''Tri-National Security Laboratory'' to develop and test new counter-terrorism technologies and processes. The fest was an important first step in developing a tri-national approach to continental security and very different approaches to countering terrorism were explored. Participants came to the conclusion that continental security would be easier to achieve if the focus were on broader security issues, such as transnational crime, with terrorism being only a part of the focus. A series of fledgling relationships were begun between individuals and organizations through which actions can occur. A first commitment is the publication by a set of participants representing the three countries of a joint paper outlining the elements of a Continental Security approach.
The nano electrode arrays for in-situ identification and quantification of chemicals in water progress in four major directions. (1) We developed and engineering three nanoelectrode array designs which operate in a portable field mode or as distributed sensor network for water systems. (2) To replace the fragile glass electrochemical cells using in the lab, we design and engineered field-ready sampling heads that combine the nanoelectrode arrays with a high-speed potentiostat. (3) To utilize these arrays in a portable system we design and engineered a light weight high-speed potentiostat with pulse widths from 2 psec. to 100 msec. or greater. (4) Finally, we developed the parameters for an analytical method in low-conductivity solutions for Pb(II) detection, with initial studies for the analysis of As(III) and As(V) analysis in natural water sources.
The Common Geometry Module (CGM) is a code library which provides geometry functionality used for mesh generation and other applications. This functionality includes that commonly found in solid modeling engines, like geometry creation, query and modification; CGM also includes capabilities not commonly found in solid modeling engines, like geometry decomposition tools and support for shared material interfaces. CGM is built upon the ACIS solid modeling engine, but also includes geometry capability developed beside and on top of ACIS. CGM can be used as-is to provide geometry functionality for codes needing this capability. However, CGM can also be extended using derived classes in C++, allowing the geometric model to serve as the basis for other applications, for example mesh generation. CGM is supported on Sun Solaris, SGI, HP, IBM, DEC, Linux and Windows NT platforms. CGM also includes support for loading ACIS models on parallel computers, using MPI-based communication. Future plans for CGM are to port it to different solid modeling engines, including Pro/Engineer or SolidWorks. CGM is being released into the public domain under an LGPL license; the ACIS-based engine is available to ACIS licensees on request.
While recognized standards exist for the systematic safety analysis of potential spills or releases from LNG (Liquefied Natural Gas) storage terminals and facilities on land, no equivalent set of standards or guidance exists for the evaluation of the safety or consequences from LNG spills over water. Heightened security awareness and energy surety issues have increased industry's and the public's attention to these activities. The report reviews several existing studies of LNG spills with respect to their assumptions, inputs, models, and experimental data. Based on this review and further analysis, the report provides guidance on the appropriateness of models, assumptions, and risk management to address public safety and property relative to a potential LNG spill over water.
Sandia National Laboratories (SNL) is collaborating with the Awwa Research Foundation (AwwaRF) and WERC (A Consortium for Environmental Education and Technology Development) in a program for the development and testing of innovative technologies that have the potential to substantially reduce the costs associated with arsenic removal from drinking water. Sandia National Laboratories will administer contracts placed with AwwaRF and WERC to carry out bench scale studies and economic analyses/outreach activities, respectively. The elements of the AwwaRF program include (1) identification of new technologies, (2) proof-of-concept laboratory studies and, (3) a research program that will meet the other needs of small utilities by providing solutions to small utilities so that they may successfully meet the new arsenic MCL. WERC's activities will include development of an economic analysis tool for Pilot Scale Demonstrations and development of educational training and technical assistance tools. The objective of the Sandia Program is the field demonstration testing of innovative technologies. The primary deliverables of the Sandia program will be engineering analyses of candidate technologies; these will be contained in preliminary reports and final analysis reports. Projected scale-up costs will be generated using a cost model provided by WERC or another suitable model.
Recent world events have underscored the need for a satellite based persistent global surveillance capability. To be useful, the satellite must be able to continuously monitor objects the size of a person anywhere on the globe and do so at a low cost. One way to satisfy these requirements involves a constellation of satellites in low earth orbit capable of resolving a spot on the order of 20 cm. To reduce cost of deployment, such a system must be dramatically lighter than a traditional satellite surveillance system with a high spatial resolution. The key to meeting this requirement is a lightweight optics system with a deformable primary and secondary mirrors and an adaptive optic subsystem correction of wavefront distortion. This proposal is concerned with development of MEMS micromirrors for correction of aberrations in the primary mirror and improvement of image quality, thus reducing the optical requirements on the deployable mirrors. To meet this challenge, MEMS micromirrors must meet stringent criteria on their performance in terms of flatness, roughness and resolution of position. Using Sandia's SUMMIT foundry which provides the world's most sophisticated surface MEMS technology as well as novel designs optimized by finite element analysis will meet severe requirements on mirror travel range and accuracy.
Subsurface geological investigations have been conducted at two large playa lakes at the Tonopah Test Range in central Nevada. These characterization activities were intended to provide basic stratigraphic-framework information regarding the lateral distribution of ''hard'' and ''soft'' sedimentary materials for use in defining suitable target regions for penetration testing. Both downhole geophysical measurements and macroscopic lithilogic descriptions were used as a surrogate for quantitative mechanical-strength properties, although some quantitative laboratory strength measurements were obtained as well. Both rotary (71) and core (19) holes on a systematic grid were drilled in the southern half of the Main Lake; drill hole spacings are 300 ft north-south and 500-ft east-west. The drilled region overlaps a previous cone-penetrometer survey that also addressed the distribution of hard and soft material. Holes were drilled to a depth of 40 ft and logged using both geologic examination and down-hole geophysical surveying. The data identify a large complex of very coarse-grained sediment (clasts up to 8 mm) with interbedded finer-grained sands, silts and clays, underlying a fairly uniform layer of silty clay 6 to 12 ft thick. Geophysical densities of the course-grained materials exceed 2.0 g/cm{sup 2}, and this petrophysical value appears to be a valid discriminator of hard vs. soft sediments in the subsurface. Thirty-four holes, including both core and rotary drilling, were drilled on a portion of the much larger Antelope Lake. A set of pre-drilling geophysical surveys, including time-domain electromagnetic methods, galvanic resistivity soundings, and terrain-conductivity surveying, was used to identify the gross distribution of conductive and resistive facies with respect to the present lake outline. Conductive areas were postulated to represent softer, clay-rich sediments with larger amounts of contained conductive ground water. Initial drilling, consisting of cored drill holes to 100-ft (33-m) depth, confirmed both the specific surface geophysical measurements and the more general geophysical model of the subsurface lake facies. Good agreement of conductive regions with drill holes containing little to no coarse-grained sediments was observed, and vice-versa. A second phase of grid drilling on approximately 300-ft (100-m) centers was targeted a delineating a region of sufficient size containing essentially no coarse-grained ''hard'' material. Such a region was identified in the southwestern portion of Antelope Lake.
An entirely new class of light-weight reversible hydrides was recently discovered (the Ti-doped alanates)[1]. These NaAIH{sub 4}-based materials have demonstrated reversible hydrogen storage capacities of up to 5 wt%, nearly 4 times the gravimetrically density of commercial metal hydrides. For this reason, they have been considered a breakthrough for hydrogen storage in fuel cell vehicles. This project is the first to publish the use of alanates for the generation of electrical power and the first demonstration of a hydride-fueled elevated-temperature PEM Fuel Cell. Because the kinetics of hydrogen uptake and release by the alanate improves with elevated temperatures, novel concepts were tested for the purpose of developing a highly efficient stand-alone power system. A major focus of this work was on the modeling, design, construction and testing of an integrated fuel cell stack and hydrogen storage system that eliminates the need of complicated heat transfer systems and media. After extensive modeling efforts, a proof-of-concept system was built that employs an integrated fuel cell stack and hydride beds that balancing the generation of fuel cell waste heat with the endothermic release of hydrogen from the alanates. Our demonstration unit was capable of greater than one hour of operation on a single charge of hydrogen from the integrated 173 gram alanate bed. In addition, composite hydride materials with synergistic reaction heats were evaluated and tested to enhance the operational performance of the alanates. The composites provide a unique opportunity to utilize the heat produced from hydriding classic metal hydrides to improve both absorption and desorption rates of the alanates. A particular focus of the mixed storage materials work was to balance the thermodynamics and kinetics of the hydrides for start-up conditions. Modeling of the sorption properties proved invaluable in evaluating the optimum composition of hydrides. The modeling efforts were followed by full validation by experimental measurements. This project successfully completed the proof-of-concept goals and generated a powerful set of tools for optimizing the complete power-generation system. It has also created a new direction for hydrogen power generation as well the potential for new R&D based on this work.
Nuclear weapons and their storage facilities may benefit from in-situ structural health monitoring systems. Appending health-monitoring functionality to conventional materials and structures has been only marginally successful. The purpose of this project was to evaluate feasibility of a new smart material that includes self-sensing health monitoring functions similar to that of a nervous system of a living organism. Reviews of current efforts in the fields of heath-monitoring, nanotechnology, micro-electromechanical systems (MEMS), and wireless sensor networks were conducted. Limitations of the current nanotechnology methods were identified and new approaches were proposed to accelerate the development of self-sensing materials. Wireless networks of MEMS sensors have been researched as possible prototypes of self-sensing materials. Sensor networks were also examined as enabling technologies for dense data collection techniques to be used for validation of numerical methods and material parameter identification. Each grain of the envisioned material contains sensors that are connected in a dendritic manner similar to networks of neurons in a nervous system. Each sensor/neuron can communicate with the neighboring grains. Both the state of the sensor (on/off) and the quality of communication signal (speed/amplitude) should indicate not only a presence of a structural defect but the nature of the defect as well. For example, a failed sensor may represent a through-grain crack, while a lost or degraded communication link may represent an inter-granular crack. A technology to create such material does not exist. While recent progress in the fields of MEMS and nanotechnology allows to envision these new smart materials, it is unrealistic to expect creation of self-sensing materials in the near future. The current state of MEMS, nanotechnology, communication, sensor networks, and data processing technologies indicates that it will take more than ten years for the technologies to mature enough to make self-sensing materials a reality. Nevertheless, recent advances in the field of nanotechnology demonstrate that nanotubes, nanorods, and nanoparticles of carbon, boron and other materials have remarkable mechanical and electrical properties. This would provide. for a plethora of potential applications including self-sensing materials. Record strength-to-weight ratios, ballistic conductivity, and sensing capabilities (i.e., piezo- resistance and piezoelectricity) have been reported for carbon nanotubes. The first transistors, sensors, and actuators have been made from the carbon nanotubes and other nanomaterials. However, nanomaterials are notoriously difficult to manipulate into useful geometries. Nano-manufacturing processes often produce bundles or random networks of nanostructured materials. Samples of the material are then manipulated with advanced microscopy tools to measure properties or to create a single device. This is a laborious and time consuming process. An often overlooked property of the manufactured nanotube bundles is their similarity to the dendritic structure of neural networks with a great quantity of interconnects that may serve as initiation sites for artificial neurons in a self-sensing material nervous system. To accelerate the development of self-sensing materials, future research should concentrate on naturally occurring dendritic nano-structures. While self-sensing materials with subgrain size sensors (scale of micrometers) remain in the realm of basic research, meso-scale (millimeters to centimeters) sensors and their networks are in the state of mature research and have begun to find their way into commercial applications. Macro-scale (centimeters to decimeters) sensors and their networks are commercially available from various sources. The majority of applications that employ sensor networks are driven by the needs of the Department of Defense. Widespread adaptation of sensor networks has been limited by, on one hand, the sensor's high cost of design, development, and deployment, and on the other hand, a lack of reliable long-term power sources. Solutions to both of these drawbacks require significant investments driven by real-life applications. Possible applications for sensor networks at Sandia National Laboratories include dense data collection techniques for validation of numerical methods and material parameter identification. For example, an array of distributed wireless macro-scale sensors can record the structural response of soils and reinforced concrete during explosive loading. Another example is an array of surface mounted micro-sensors that can record the modal response of nuclear weapon components. The collected data would be used to validate existing numerical codes and to identify new physical mechanisms to improve Sandia's computational models.