This report documents the calculation of radionuclide content in the pressurized water reactor (PWR) spent fuel samples planned for use in the Spent Fuel Ratio (SPR) Experiments at Sandia National Laboratories, Albuquerque, New Mexico (SNL) to aid in experiment planning. The calculation methods using the ORIGEN2 and ORIGEN-ARP computer codes and the input modeling of the planned PWR spent fuel from the H. B. Robinson and the Surry nuclear power plants are discussed. The safety hazards for the calculated nuclide inventories in the spent fuel samples are characterized by the potential airborne dose and by the portion of the nuclear facility hazard category 2 and 3 thresholds that the experiment samples would present. In addition, the gamma ray photon energy source for the nuclide inventories is tabulated to facilitate subsequent calculation of the direct and shielded dose rates expected from the samples. The relative hazards of the high burnup 72 gigawatt-day per metric ton of uranium (GWd/MTU) spent fuel from H. B. Robinson and the medium burnup 36 GWd/MTU spent fuel from Surry are compared against a parametric calculation of various fuel burnups to assess the potential for higher hazard PWR fuel samples.
Two-dimensional maps of the sheath electric fields formed around a metal-dielectric interface were measured in a radio frequency (rf) argon plasma using laser-induced fluorescence-dip spectroscopy. Experimentally determined Stark shifts of the argon Rydberg 13d[3/2]1 state were used to quantify the electric fields in the sheath as functions of the rf cycle, voltage, and pressure. Both the structure of the sheath fields and the discharge characteristics in the region above the electrode depend on the discharge conditions and the configuration of the surface. Dissimilar materials placed adjacent to each other result in electric fields with a component parallel to the electrode surface.
Rare earth doped yttrium oxide (yttria) and silicate, Y{sub 2}O{sub 3}:Eu and Y{sub 2}SiO{sub 5}:Tb, are the most promising phosphors for advanced devices such as flat panel field-emission-displays. However, their light yield for electron excitation has proven to be lower than that predicted by early models. New experimental data are needed to improve the theoretical understanding of the cathodoluminescence (CL) that will, in turn, lead to materials that are significantly brighter. Beside the existing CL and photo luminescence (PL) measurements, one can provide new information by studying ion-induced luminescence (IL). Ions penetrate substantially deeper than electrons and their light yield should therefore not depend on surface effects. Moreover, the energy density released by ions can be much higher than that of electrons and photons, which results in possible saturation effects, further testing the adequacy of models. We exposed the above yttrium compounds to three ion beams, H (3 MeV), C (20 MeV), Cu (50 MeV), which have substantially different electronic stopping powers. H was selected to provide an excitation close to CL, but without surface effects. The C and Cu allowed an evaluation of saturation effects because of their higher stopping powers. The IL experiments involved measuring the transient light intensity signal radiating from thin phosphor layers following their exposure to {approx}200 ns ion beam pulses. We present the transient yield curves for the two materials and discuss a general model for this behavior.
The plastic behavior of crystalline materials is mainly controlled by the nucleation and motion of lattice dislocations. We report in situ dynamic transmission electron microscope observations of nanocrystalline nickel films with an average grain size of about 10 nanometers, which show that grain boundary-mediated processes have become a prominent deformation mode. Additionally, trapped lattice dislocations are observed in individual grains following deformation. This change in the deformation mode arises from the grain size-dependent competition between the deformation controlled by nucleation and motion of dislocations and the deformation controlled by diffusion-assisted grain boundary processes.
In complex simulation systems where humans interact with computer-generated agents, information display and the interplay of virtual agents have become dominant media and modalities of interface design. This design strategy is reflected in augmented reality (AR), an environment where humans interact with computer-generated agents in real-time. AR systems can generate large amount of information, multiple solutions in less time, and perform far better in time-constrained problem solving. The capabilities of AR have been leveraged to augment cognition in human information processing. In this sort of augmented cognition (AC) work system, while technology has become the main source for information acquisition from the environment, the human sensory and memory capacities have failed to cope with the magnitude and scale of information they encounter. This situation generates opportunity for excessive cognitive workloads, a major factor in degraded human performance. From the human effectiveness point of view, research is needed to develop, model, and validate simulation tools that can measure the effectiveness of an AR technology used to support the amplification of human cognition. These tools will allow us to predict human performance for tasks executed under an AC tool construct. This paper presents an exploration of ergonomics issues relevant to AR and AC systems design. Additionally, proposed research to investigate those ergonomic issues is discussed.
By using a multipole-conformal mapping expansion for the wire currents we examine the accuracy of approximations for the transfer inductance of a one dimensional array of wires (wire grid). A simple uniform fit is constructed by introduction of the decay factor from bipolar coordinates into existing formulas for this inductance.
In theory, it should be possible to infer realistic genetic networks from time series microarray data. In practice, however, network discovery has proved problematic. The three major challenges are: (1) inferring the network; (2) estimating the stability of the inferred network; and (3) making the network visually accessible to the user. Here we describe a method, tested on publicly available time series microarray data, which addresses these concerns. The inference of genetic networks from genome-wide experimental data is an important biological problem which has received much attention. Approaches to this problem have typically included application of clustering algorithms [6]; the use of Boolean networks [12, 1, 10]; the use of Bayesian networks [8, 11]; and the use of continuous models [21, 14, 19]. Overviews of the problem and general approaches to network inference can be found in [4, 3]. Our approach to network inference is similar to earlier methods in that we use both clustering and Boolean network inference. However, we have attempted to extend the process to better serve the end-user, the biologist. In particular, we have incorporated a system to assess the reliability of our network, and we have developed tools which allow interactive visualization of the proposed network.
Khan, Feroz H.; Vannoni, Michael G.; Rajen, Gaurav
India and Pakistan have created sizeable ballistic missile forces and are continuing to develop and enlarge them. These forces can be both stabilizing (e.g., providing a survivable force for deterrence) and destabilizing (e.g., creating strategic asymmetries). Missile forces will be a factor in bilateral relations for the foreseeable future, so restraint is necessary to curtail their destabilizing effects. Such restraint, however, must develop within an atmosphere of low trust. This report presents a set of political and operational options, both unilateral and bilateral, that decreases tensions, helps rebuild the bilateral relationship, and prepares the ground for future steps in structural arms control. Significant steps, which build on precedents and do not require extensive cooperation, are possible despite strained relations. The approach is made up of three distinct phases: (1) tension reduction measures, (2) confidence building measures, and (3) arms control agreements. The goal of the first phase is to initiate unilateral steps that are substantive and decrease tensions, establish missiles as a security topic for bilateral discussion, and set precedents for limited bilateral cooperation. The second phase would build confidence by expanding current bilateral security agreements, formalizing bilateral understandings, and beginning discussion of monitoring procedures. The third phase could include bilateral agreements limiting some characteristics of national missile forces including the cooperative incorporation of monitoring and verification.
Pb deposition on Cu(111) causes the surface to self-assemble into periodically arranged domains of a Pb-rich phase and a Pb-poor phase. Using low-energy electron microscopy (LEEM) we provide evidence that the observed temperature-dependent periodicity of these self-assembled domain patterns is the result of changing domain-boundary free energy. We determine the free energy of boundaries at different temperatures from a capillary wave analysis of the thermal fluctuations of the boundaries and find that it varies from 22 meV/nm at 600 K to 8 meV/nm at 650 K. Combining this result with previous measurements of the surface stress difference between the two phases we find that the theory of surface-stress-induced domain formation can quantitatively account for the observed periodicities.
A technique for manufacturing wires with imposed modulation in radius with axial wavelengths as short as 1 mm is presented. Extruded aluminum 5056 with 15 {micro}m diameter was masked and chemically etched to reduce the radius by {approx}20% in selected regions. Characterized by scanning electron microscopy, the modulation in radius is a step function with a {approx}10 {micro}m wide conical transition between thick and thin segments, with some pitting in etched regions. Techniques for mounting and aligning these wires in arrays for fast z-pinch experiments will be discussed. Axially mass-modulated wire arrays of this type will allow the study of seeded Rayleigh-Taylor instabilities in z pinches, corona formation, wire initiation with varying current density in the wire core, and correlation of perturbations between adjacent wires. This tool will support magnetohydrodynamics code validation in complex three-dimensional geometries, and perhaps x-ray pulse shaping.
We use low-energy electron microscopy to study the mechanisms of thermal smoothing on Rh(001) surfaces at high temperature. By examining the change of areas of two-dimensional islands as a function of time and temperature, we find that smoothing from 1210 K to 1450 K is limited by the rate of surface diffusion on terraces and not by bulk vacancy diffusion as observed in other systems in the same temperature range. However, the activation energy we measure for island decay is inconsistent with previous measurements and calculations of the activation energy of surface diffusion and the adatom formation energy. This inconsistency combined with an unexpectedly large activation entropy suggests a surface transport mechanism other than simple hopping of adatoms across the surface.
This report documents the efforts and accomplishments of the LIGA electrodeposition modeling project which was headed by the ASCI Materials and Physics Modeling Program. A multi-dimensional framework based on GOMA was developed for modeling time-dependent diffusion and migration of multiple charged species in a dilute electrolyte solution with reduction electro-chemical reactions on moving deposition surfaces. By combining the species mass conservation equations with the electroneutrality constraint, a Poisson equation that explicitly describes the electrolyte potential was derived. The set of coupled, nonlinear equations governing species transport, electric potential, velocity, hydrodynamic pressure, and mesh motion were solved in GOMA, using the finite-element method and a fully-coupled implicit solution scheme via Newton's method. By treating the finite-element mesh as a pseudo solid with an arbitrary Lagrangian-Eulerian formulation and by repeatedly performing re-meshing with CUBIT and re-mapping with MAPVAR, the moving deposition surfaces were tracked explicitly from start of deposition until the trenches were filled with metal, thus enabling the computation of local current densities that potentially influence the microstructure and frictional/mechanical properties of the deposit. The multi-dimensional, multi-species, transient computational framework was demonstrated in case studies of two-dimensional nickel electrodeposition in single and multiple trenches, without and with bath stirring or forced flow. Effects of buoyancy-induced convection on deposition were also investigated. To further illustrate its utility, the framework was employed to simulate deposition in microscreen-based LIGA molds. Lastly, future needs for modeling LIGA electrodeposition are discussed.
One challenge faced by engineers today is replicating an operating environment such as transportation in a test lab. This paper focuses on the process of identifying sine-on-random content in an aircraft transportation environment, although the methodology can be applied to other events. The ultimate goal of this effort was to develop an automated way to identify significant peaks in the PSDs of the operating data, catalog the peaks, and determine whether each peak was sinusoidal or random in nature. This information helps design a test environment that accurately reflects the operating environment. A series of Matlab functions have been developed to achieve this goal with a relatively high degree of accuracy. The software is able to distinguish between sine-on-random and random-on-random peaks in most cases. This paper describes the approach taken for converting the time history segments to the frequency domain, identifying peaks from the resulting PSD, and filtering the time histories to determine the peak amplitude and characteristics. This approach is validated through some contrived data, and then applied to actual test data. Observations and conclusions, including limitations of this process, are also presented.
The experimental and computational investigations of nanosecond electrical explosion of thin Al wire in vacuum are presented. We have demonstrated that increasing the current rate leads to increased energy deposited before voltage collapse. Laser shadowgrams of the overheated Al core exhibit axial stratification with a {approx}100 {micro}m period. The experimental evidence for synchronization of the wire expansion and light emission with voltage collapse is presented. Two-wavelength interferometry shows an expanding Al core in a low-ionized gas condition with increasing ionization toward the periphery. Hydrocarbons are indicated in optical spectra and their influence on breakdown physics is discussed. The radial velocity of low-density plasma reaches a value of {approx}100 km/s. The possibility of an overcritical phase transition due to high pressure is discussed. 1D MHD simulation shows good agreement with experimental data. MHD simulation demonstrates separation of the exploding wire into a high-density cold core and a low-density hot corona as well as fast rejection of the current from the wire core to the corona during voltage collapse. Important features of the dynamics for wire core and corona follow from the MHD simulation and are discussed.
Seeding and autocatalytic reduction of platinum salts in aqueous surfactant solution using ascorbic acid as the reductant leads to remarkable dendritic metal nanostructures. In micellar surfactant solutions, spherical dendritic metal nanostructures are obtained, and the smallest of these nanodendrites resemble assemblies of joined nanoparticles and the nanodendrites are single crystals. With liposomes as the template, dendritic platinum sheets in the form of thin circular disks or solid foam-like nanomaterials can be made. Synthetic control over the morphology of these nanodendrites, nanosheets, and nanostructured foams is realized by using a tin-porphyrin photocatalyst to conveniently and effectively produce a large initial population of catalytic growth centers. The concentration of seed particles determines the ultimate average size and uniformity of these novel two- and three-dimensional platinum nanostructures.
On April 22 and 23, 2004, a diverse group of 14 policymakers, modelers, analysts, and scholars met with some 22 members of the Sandia National Laboratories staff to explores ways in which the relationships between modelers and policymakers in the energy and environment fields (with an emphasis on energy) could be made more productive for both. This report is not a transcription of that workshop, but draws very heavily on its proceedings. It first describes the concept of modeling, the varying ways in which models are used to support policymaking, and the institutional context for those uses. It then proposes that the goal of modelers and policymakers should be a relationship of mutual trust, built on a foundation of communication, supported by the twin pillars of policy relevance and technical credibility. The report suggests 20 guidelines to help modelers improve the relationship, followed by 10 guidelines to help policymakers toward the same goal.
The Vulcan fire-field model is employed to simulate the evolution of pool fires and the distribution of fire suppressants in a engine nacelle simulator. The objective is to identify conditions for which suppression will and will not be successful in order to (1) provide input on experimental design and (2) to test the model's predictive capabilities through comparison with future test results. Pool fires, where the fuel pool is on the bottom of the nacelle, have been selected for these tests because they have been identified as among the most challenging to suppress. Modeling of the production HFC-125 fire suppression system predicts that all pool fires are extinguished. Removing nozzles and reducing the rate of suppressant injection eventually lead to a predicted failure to suppress the fires. The stability of the fires, and therefore the difficulty in extinguishing them, depends on a variety of additional factors as discussed in the text.
This manual describes the use of the Xyce Parallel Electronic Simulator. Xyce has been designed as a SPICE-compatible, high-performance analog circuit simulator capable of simulating electrical circuits at a variety of abstraction levels. Primarily, Xyce has been written to support the simulation needs of the Sandia National Laboratories electrical designers. This development has focused on improving capability the current state-of-the-art in the following areas: {sm_bullet} Capability to solve extremely large circuit problems by supporting large-scale parallel computing platforms (up to thousands of processors). Note that this includes support for most popular parallel and serial computers. {sm_bullet} Improved performance for all numerical kernels (e.g., time integrator, nonlinear and linear solvers) through state-of-the-art algorithms and novel techniques. {sm_bullet} Device models which are specifically tailored to meet Sandia's needs, including many radiation-aware devices. {sm_bullet} A client-server or multi-tiered operating model wherein the numerical kernel can operate independently of the graphical user interface (GUI). {sm_bullet} Object-oriented code design and implementation using modern coding practices that ensure that the Xyce Parallel Electronic Simulator will be maintainable and extensible far into the future. Xyce is a parallel code in the most general sense of the phrase - a message passing of computing platforms. These include serial, shared-memory and distributed-memory parallel implementation - which allows it to run efficiently on the widest possible number parallel as well as heterogeneous platforms. Careful attention has been paid to the specific nature of circuit-simulation problems to ensure that optimal parallel efficiency is achieved as the number of processors grows. One feature required by designers is the ability to add device models, many specific to the needs of Sandia, to the code. To this end, the device package in the Xyce These input formats include standard analytical models, behavioral models look-up Parallel Electronic Simulator is designed to support a variety of device model inputs. tables, and mesh-level PDE device models. Combined with this flexible interface is an architectural design that greatly simplifies the addition of circuit models. One of the most important feature of Xyce is in providing a platform for computational research and development aimed specifically at the needs of the Laboratory. With Xyce, Sandia now has an 'in-house' capability with which both new electrical (e.g., device model development) and algorithmic (e.g., faster time-integration methods) research and development can be performed. Ultimately, these capabilities are migrated to end users.
This document is a reference guide to the Xyce Parallel Electronic Simulator, and is a companion document to the Xyce Users' Guide. The focus of this document is (to the extent possible) exhaustively list device parameters, solver options, parser options, and other usage details of Xyce. This document is not intended to be a tutorial. Users who are new to circuit simulation are better served by the Xyce Users' Guide.
The surface micromachining processes used to manufacture MEMS devices and integrated circuits transpire at such small length scales and are sufficiently complex that a theoretical analysis of them is particularly inviting. Under development at Sandia National Laboratories (SNL) is Chemically Induced Surface Evolution with Level Sets (ChISELS), a level-set based feature-scale modeler of such processes. The theoretical models used, a description of the software and some example results are presented here. The focus to date has been of low-pressure and plasma enhanced chemical vapor deposition (low-pressure chemical vapor deposition, LPCVD and PECVD) processes. Both are employed in SNLs SUMMiT V technology. Examples of step coverage of SiO{sub 2} into a trench by each of the LPCVD and PECVD process are presented.
The thermochemistry of the transition-metal fluorides and chlorides MF{sub n} and MCl{sub n} (M = Cr, Mn, Fe; n = 1, 2) has been characterized by high-level ab initio electronic structure methods. Geometries and harmonic vibrational frequencies were computed at the B3LYP level of theory using triple-{zeta} basis sets including diffuse and polarization functions. Heats of formation were computed from isogyric reaction energies at the CCSD(T) level using high-quality basis sets, including corrections for core-valence correlation and scalar relativistic effects. To investigate the possible linearity of the ground states of CrCl{sub 2} and CrF{sub 2}, we performed geometry optimizations for these species at the CCSD(T) level using large basis sets. In both cases, a bent ({sup 5}B{sub 2}) minimum structure was located, but the bent structure is only slightly below the linear form, which was found to be a transition state. For all of the investigated halides, polynomial fits were carried out for the heat capacity and the standard enthalpy and entropy in the 300-3000 K temperature range.
The modeling of fluid/structure interaction is of growing importance in both energy and environmental applications. Because of the inherent complexity, these problems must be simulated on parallel machines in order to achieve high resolution. The purpose of this research was to investigate techniques for coupling flow and geomechanics in porous media that are suitable for parallel computation. In particular, our main objective was to develop an iterative technique which can be as accurate as a fully coupled model but which allows for robust and efficient coupling of existing complex models (software). A parallel linear elastic module was developed which was coupled to a three phase three-component black oil model in IPARS (Integrated Parallel Accurate Reservoir Simulator). An iterative de-coupling technique was introduced at each time step. The resulting nonlinear iteration involved solving for displacements and flow sequentially. Rock compressibility was used in the flow model to account for the effect of deformation on the pore volume. Convergence was achieved when the mass balance for each component satisfied a given tolerance. This approach was validated by comparison with a fully coupled approach implemented in the British PetroledAmoco ACRES simulator. Another objective of this work was to develop an efficient parallel solver for the elasticity equations. A preconditioned conjugate gradient solver was implemented to solve the algebraic system arising from tensor product linear Galerkin approximations for the displacements. Three preconditioners were developed: LSOR (line successive over-relaxation), block Jacobi, and agglomeration multi-grid. The latter approach involved coarsening the 3D system to 2D and using LSOR as a smoother that is followed by applying geometric multi-grid with SOR (successive over-relaxation) as a smoother. Preliminary tests on a 64-node Beowulf cluster at CSM indicate that the agglomeration multi-grid approach is robust and efficient.
The couple on a ball rotating relative to an otherwise quiescent suspension of comparably-sized, neutrally buoyant spheres is studied both experimentally and numerically. Apparent 'slip' relative to the analytical solution for a sphere spinning in a Newtonian fluid (based upon the viscosity of the suspension) is determined in suspensions with volume fractions c ranging from 0.03 to 0.50. This apparent slip results in a decrease of the measured torque on the spinning ball when the radius of the ball becomes comparable with that of the suspended spheres. Over the range of our data, the slip becomes more pronounced as the concentration c increases. At c = 0.25, three-dimensional boundary-element simulations agree well with the experimental data. Moreover, at c = 0.03, good agreement exists between such calculations and theoretical predictions of rotary slip in dilute suspensions.
An aged polybutadiene-based elastomer was reacted with trifluoroacetic anhydride (TFAA) and subsequently analyzed via 19F NMR spectroscopy. Derivatization between the TFAA and hydroxyl functionalities produced during thermo-oxidative aging was achieved, resulting in the formation of trifluoroester groups on the polymer. Primary and secondary alcohols were confirmed to be the main oxidation products of this material, and the total percent oxidation correlated with data obtained from oxidation rate measurements. The chemical derivatization appears to be highly sensitive and can be used to establish the presence and identity of oxidation products in aged polymeric materials. This methodology represents a novel condition monitoring approach for the detection of chemical changes that are otherwise difficult to analyze.
In the present work the authors describe the adaptation of a standard SEM into a flexible microjoining tool. The system incorporates exceptional control of energy input and its location, environmental cleanliness, part manipulation and especially, part imaging. Beam energetics, modeling of thermal flow in a simple geometry, significant effects of surface energy on molten pools and beam size characterization are treated. Examples of small to micro fusion welds and molten zones produced in a variety of materials (Ni, tool steel, Tophet C, Si) and sizes are given. Future directions are also suggested.
High-resolution, variable temperature PL experiments were performed in the spectral region associated with recombination processes involving the ground and excited states of the neutral donor bound excitons. High-resolution infrared measurements in combination with high-sensitive SIMS unambiguously identified Si and O shallow donors and yield their ground state binding energies. These binding energies are in excellent agreement with values obtained by the analysis of the two-electron-satellite PL spectra considering the participation of ground and excited state donor bound excitons. This work clarifies conflicting aspects existing in donor identification and the binding energies of the impurities and excitons.
Solid-state light sources emitting at wavelengths less than 300 nm would enable technological advances in many areas such as fluorescence-based biological agent detection, non-line-of-sight communications, water purification, and industrial processing including ink drying and epoxy curing. In this paper, we present our recent progress in the development of LEDs with emission between 237 and 297 nm. We will discuss growth and design issues of deep-UV LEDs, including transport in Si-doped AlGaN layers. The LEDs are designed for bottom emission so that improved heat sinking and light extraction can be achieved by flip chipping. To date, we have demonstrated 2.25 mW of output power at 295 nm from 1 mm x 1 mm LEDs operated at 500 mA. Shorter wavelength LEDs emitting at 276 nm have achieved an output power of 1.3 mW at 400 mA. The heterostructure designs that we have employed have suppressed deep level emission to intensities that are up to 330 x lower than the primary quantum well emission.
A stereoscopic particle image velocimetry (PIV) instrument has been constructed for a transonic wind tunnel to study the interaction created by a supersonic axisymmetric jet exhausting from a flat plate into a subsonic compressible crossflow. Data have been acquired in the crossplane of the interaction at a single station in the farfield, in which the bulk particle motion is aligned with the out-of-plane velocity component. The resulting vector fields distinctly show the strength and location of the induced counter-rotating vortex pair as well as the remnant of the horseshoe vortex that wraps around the jet plume as it first exhausts from the nozzle. Data taken for four different values of the jet-to-freestream dynamic pressure ratio reveal the resulting change in vortex strength, size, and position. Vorticity fields were derived from the in-plane velocity data, but limited convergence of the present small data sets prevented any conclusions about the symmetry of the flowfield. Comparison of the present data is made with two-dimensional PIV data previously acquired in the streamwise plane.
Powder phosphors of ZnS:Ag,Cl coated with SiO{sub 2} (22 or 130 nm nanoparticles), SnO{sub 2} or Al{sub 2}O{sub 3} showed different cathodoluminescent (CL) brightness versus time (temporal CL quenching) behavior as compared to noncoated phosphors. At high current density (e.g., 300-800 {micro}A/cm{sup 2}), the CL emission intensity of coated ZnS:Ag,Cl decayed over the first {approx}15 s of electron beam irradiation, which was postulated to result from a large concentration of nonradiative surface centers generated during surface modification of the phosphor, and from localization of generated electrons at the surface due to primary beam-induced internal electric fields. During the first {approx}15 s of excitation, generated electrons are postulated to be redistributed by this induced internal electric fields, resulting in increased nonradiative surface recombination between electrons and holes. The formation of a nonradiative surface layer either from electron-stimulated surface chemical reactions on coated or from heat treatment of noncoated ZnS:Ag,Cl powder phosphors were shown to affect temporal CL quenching.
Femtosecond differential reflectivity spectroscopy (DRS) and four-wave mixing (FWM) experiments were performed simultaneously to study the initial temporal dynamics of the exciton line-shapes in GaN epilayers. Beats between the A-B excitons were found only for positive time delay in both DRS and FWM experiments. The rise time at negative time delay for the DRS was much slower than the FWM signal or differential transmission spectroscopy at the exciton resonance. A numerical solution of a six band semiconductor Bloch equation model including nonlinearities at the Hartree-Fock level shows that this slow rise in the DRS results from excitation induced dephasing, that is, the strong density dependence of the dephasing time which changes with the laser excitation energy.
The diagonal-mass-matrix spectral element method has proven very successful in geophysical applications dominated by wave propagation. For these problems, the ability to run fully explicit time stepping schemes at relatively high order makes the method more competitive then finite element methods which require the inversion of a mass matrix. The method relies on Gauss-Lobatto points to be successful, since the grid points used are required to produce well conditioned polynomial interpolants, and be high quality 'Gauss-like' quadrature points that exactly integrate a space of polynomials of higher dimension than the number of quadrature points. These two requirements have traditionally limited the diagonal-mass-matrix spectral element method to use square or quadrilateral elements, where tensor products of Gauss-Lobatto points can be used. In non-tensor product domains such as the triangle, both optimal interpolation points and Gauss-like quadrature points are difficult to construct and there are few analytic results. To extend the diagonal-mass-matrix spectral element method to (for example) triangular elements, one must find appropriate points numerically. One successful approach has been to perform numerical searches for high quality interpolation points, as measured by the Lebesgue constant (Such as minimum energy electrostatic points and Fekete points). However, these points typically do not have any Gauss-like quadrature properties. In this work, we describe a new numerical method to look for Gauss-like quadrature points in the triangle, based on a previous algorithm for computing Fekete points. Performing a brute force search for such points is extremely difficult. A common strategy to increase the numerical efficiency of these searches is to reduce the number of unknowns by imposing symmetry conditions on the quadrature points. Motivated by spectral element methods, we propose a different way to reduce the number of unknowns: We look for quadrature formula that have the same number of points as the number of basis functions used in the spectral element method's transform algorithm. This is an important requirement if they are to be used in a diagonal-mass-matrix spectral element method. This restriction allows for the construction of cardinal functions (Lagrange interpolating polynomials). The ability to construct cardinal functions leads to a remarkable expression relating the variation in the quadrature weights to the variation in the quadrature points. This relation in turn leads to an analytical expression for the gradient of the quadrature error with respect to the quadrature points. Thus the quadrature weights have been completely removed from the optimization problem, and we can implement an exact steepest descent algorithm for driving the quadrature error to zero. Results from the algorithm will be presented for the triangle and the sphere.
Using in situ wafer-curvature measurements of thin-film stress, we determine the critical thickness for strain relaxation in Al{sub x}Ga{sub 1-x}N/GaN heterostructures with 0.14 {le} x {le} 1. The surface morphology of selected films is examined by atomic force microscopy. Comparison of these measurements with critical-thickness models for brittle fracture and dislocation glide suggests that the onset of strain relaxation occurs by surface fracture for all compositions. Misfit-dislocations follow initial fracture, with slip-system selection occurring under the influence of composition-dependent changes in surface morphology.
We report our development of terahertz (THz) quantum-cascade lasers (QCLs) based on two novel features. First, the depopulation of the lower radiative level is achieved through resonant longitudinal optical (LO-)phonon scattering. This depopulation mechanism is robust at high temperatures and high injection levels. In contrast to infrared QCLs that also use LO-phonon scattering for depopulation, in our THz lasers the selectivity of the depopulation scattering is achieved through a combination of resonant tunneling and LO-phonon scattering, hence the term resonant phonon. This resonant-phonon scheme allows a highly selective depopulation of the lower radiative level with a sub-picosecond lifetime, while maintaining a relatively long upper level lifetime (>5 ps) that is due to upper-to-ground-state scattering. The second feature of our lasers is that mode confinement is achieved by using a novel double-sided metal-metal waveguide, which yields an essentially unity mode confinement factor and therefore a low total cavity loss at THz frequencies. Based on these two unique features, we have achieved some record performance, including, but not limited to, the highest pulsed operating temperature of 137 K, the highest continuous-wave operating temperature of 97 K, and the longest wavelength of 141 {micro}m (corresponding to 2.1 THz) without the assistance of a magnetic field.
Progress in understanding the physics of dynamic-hohlraums is reviewed for a system capable of generating 13 TW of axial radiation for high temperature (>200 eV) radiation-flow experiments and ICF capsule implosions.
This paper explores the possibility of separating and classifying remotely-sensed multispectral data from rocks and minerals onto seven geological rock-type groups. These groups are extracted from the general categories of metamorphic, igneous and sedimentary rocks. The study is performed under ideal conditions for which the data is generated according to laboratory hyperspectral data for the members, which are, in turn, passed through the Multi-spectral Thermal Imager (MTI) filters yielding 15 bands. The main challenge in separability is the small size of the training data sets, which initially did not permit direct application of Bayesian decision theory. To enable Bayseian classification, the original training data is linearly perturbed with the addition minerals, vegetation, soil, water and other valid impurities. As a result, the size of the training data is significantly increased and accurate estimates of the covariance matrices are achieved. In addition, a set of reduced (five) linearly-extracted canonical features that are optimal in providing the most important information about the data is determined. An alternative nonlinear feature-selection method is also employed based on spectral indices comprising a small subset of all possible ratios between bands. By applying three optimization strategies, combinations of two and three ratios are found that provide reliable separability and classification between all seven groups according to the Bhattacharyya distance. To set a benchmark to which the MTI capability in rock classification can be compared, an optimization strategy is performed for the selection of optimal multispectral filters, other than the MTI filters, and an improvement in classification is predicted.
Twinning is ubiquitous in electroplated metals. Here, we identify and discuss unique aspects of twinning found in electrodeposited Ni-Mn alloys. Previous reports concluded that the twin boundaries effectively refine the grain size, which enhances mechanical strength. Quantitative measurements from transmission electron microscopy (TEM) images show that the relative boundary length in the as-plated microstructure primarily comprises twin interfaces. Detailed TEM characterization reveals a range of length scales associated with twinning beginning with colonies ({approx}1000 nm) down to the width of individual twins, which is typically <50 nm. We also consider the connection between the crystallographic texture of the electrodeposit and the orientation of the twin planes with respect to the plating direction. The Ni-Mn alloy deposits in this work possess a 110-fiber texture. While twinning can occur on {l_brace}111{r_brace} planes either perpendicular or oblique to the plating direction in {l_brace}110{r_brace}-oriented grains, plan-view TEM images show that twins form primarily on those planes parallel to the plating direction. Therefore, grains enclosed by twins and multiply twinned particles are produced. Another important consequence of a high twin density is the formation of large numbers of twin-related junctions. We measure an area density of twin junctions that is comparable to the density of dislocations in a heavily cold-worked metal.
The radiographic integrated test stand (RITS-3) is a 5-MV, 160-kA, 70-ns inductive voltage adder accelerator at Sandia National Laboratories used to develop critical understanding of x-ray sources and flash radiographic drivers. On RITS-3 three pulse forming lines (PFLs) are used to drive three inductive voltage adder cavities. Each PFL contains a fast-pulse-charged, self-breakdown annular water switch that is used for initial pulse shaping and timing. Low loss in the switches combined with good synchronization is required for efficient operation of the accelerator. Switch maintenance is closely monitored over time to determine the effects of wear on switch breakdown performance.
An incident location must be translated into an address that responders can find on the ground. In populated areas it's street name and address number. For sparsely populated areas or highways it's typically road name and nearest milepost number. This is paired with road intersection information to help responders approach the incident as quickly and safely as possible. If responders are new to the area, or for cross-country response, more assistance is needed. If dispatchers had mileposts as points on their maps they could provide this assistance as well as vital information to public safety authorities as the incident unfolds. Mileposts are already universally understood and used. The missing rural response piece is to get milepost locations onto dispatch and control center screens.
This paper describes the integration of lookmarks into the ParaView visualization tool. Lookmarks are pointers to views of specific parts of a dataset. They were so named because lookmarks are to a visualization tool and dataset as bookmarks are to a browser and the World Wide Web. A lookmark can be saved and organized among other lookmarks within the context of ParaView. Then at a later time, either in the same ParaView session or in a different one, it can be regenerated, displaying the exact view of the data that had previously been saved. This allows the user to pick up where they left off, to continue to adjust the view or otherwise manipulate the data. Lookmarks facilitate collaboration between users who wish to share views of a dataset. They enable more effective data comparison because they can be applied to other datasets. They also serve as a way of organizing a user's data. Ultimately, a lookmark is a time-saving tool that automates the recreation of a complex view of the data.
Brief disclosures may often be sufficient for the filing of a Technical Advance with Sandia's Intellectual Property Center, but still be inadequate to facilitate an optimum patent application where more detail and explanation are required. Consequently, the crafting of a patent application may require considerably more additional interaction between the application preparer and the inventors. This inefficiency can be considerably mitigated if the inventors address some critical aspects of a patent application when they write a technical report.
At 70 miles per hour, overcoming aerodynamic drag represents about 65% of the total energy expenditure for a typical heavy truck vehicle. The goal of this US Department of Energy supported consortium is to establish a clear understanding of the drag producing flow phenomena. This is being accomplished through joint experiments and computations, leading to the smart design of drag reducing devices. This paper will describe our objective and approach, provide an overview of our efforts and accomplishments, and discuss our future direction.
Sandia National Laboratories has been conducting studies on performance of laboratory and commercial lithium-ion and other types of electrochemical cells using inductive models [1]. The objectives of these investigations are: (1) To develop procedures and techniques to rapidly determine performance degradation rates while these cells undergo life tests; (2) To model cell voltage and capacity in order to simulate cell performance characteristics under variable load and temperature conditions; (3) To model rechargeable battery degradation under charge/discharge cycles and many other conditions. The inductive model and methodology are particularly useful when complicated cell performance behaviors are involved, which are often difficult to be interpreted from simple empirical approaches. We find that the inductive model can be used effectively: (1) To enable efficient predictions of battery life; (2) To characterize system behavior. Inductive models provide convenient tools to characterize system behavior using experimentally or analytically derived data in an efficient and robust framework. The approach does not require detailed phenomenological development. There are certain advantages unique to this approach. Among these advantages is the ability to avoid making measurements of hard to determine physical parameters or having to understand cell processes sufficiently to write mathematical functions describing their behavior. We used artificial neural network for inductive modeling, along with ancillary mathematical tools to improve their accuracy. This paper summarizes efforts to use inductive tools for cell and battery modeling. Examples of numerical results will be presented. One of them is related to high power lithium-ion batteries tested under the U.S. Department of Energy Advanced Technology Development Program for hybrid vehicle applications. Sandia National Laboratories is involved in the development of accelerated life testing and thermal abuse tests to enhance the understanding of power and capacity fade issues and predict life of the battery under a nominal use condition. This paper will use power and capacity fade behaviors of a Ni-oxide-based lithium-ion battery system to illustrate how effective the inductive model can interpret the cell behavior and provide predictions of life. We will discuss the analysis of the fading behavior associated with the cell performance and explain how the model can predict cell performance.
Significantly improving the scalability of large structured adaptive mesh refinement (SAMR) applications is challenging. It requires sophisticated capabilities for using the underlying parallel computer's resources in the most efficient way. This is non-trivial, since the basic conditions for how to allocate the resources change dramatically during run-time due to the dynamics inherent in these applications. This paper presents a first characterization of a hybrid and dynamic partitioner for parallel SAMR applications. Specifically, we investigate parameter settings for trade-offs like communication vs. load balance and speed vs. quality. The key contribution is that the characterization shows that the partitioner is able to respond accurately to stimuli from system and application state, and hence adapt to various SAMR scenarios. This potentially reduces the run-time for large SAMR applications.
Cadmium plating on metal surfaces is commonly used for corrosion protection and to achieve good solderability on the 304L stainless steel shell of the MC4636 lightning arrestor connector (LAC) for the W76-1 system. This study examined the use of zinc as a potential substitute for the cadmium protective surface finish. Tests were performed with an R and RMA flux and test temperatures of 230 C, 245 C, and 260 C. Contact angle, {theta}{sub c}, served as the generalized solderability metric. The wetting rate and wetting time parameters were also collected. The solderability ({theta}{sub c}) of the Erie Plating Cd/Ni coatings was better than that of similar Amphenol coatings. Although the {theta}{sub c} data indicated that both Cd/Ni platings would provide adequate solderability, the wetting rate and wetting time data showed the Amphenol coatings to have better performance. The Zn/Ni coatings exhibited non-wetting under all flux and temperature conditions. Based on the results of these tests, it has been demonstrated that zinc plating is not a viable alternate to cadmium plating for the LAC connectors.
A major research goal of the national spherical torus experiment is establishing long-pulse, high beta, high confinement operation and its physics basis. This research has been enabled by facility capabilities developed during 2001 and 2002, including neutral beam (up to 7 MW) and high harmonic fast wave (HHFW) heating (up to 6 MW), toroidal fields up to 6 kG, plasma currents up to 1.5 MA, flexible shape control, and wall preparation techniques. These capabilities have enabled the generation of plasmas with {beta}{sub T} {triple_bond} <p>/(B{sub T0}{sup 2}/2{mu}{sub 0}) of up to 35%. Normalized beta values often exceed the no-wall limit, and studies suggest that passive wall mode stabilization enables this for H mode plasmas with broad pressure profiles. The viability of long, high bootstrap current fraction operations has been established for ELMing H mode plasmas with toroidal beta values in excess of 15% and sustained for several current relaxation times. Improvements in wall conditioning and fueling are likely contributing to a reduction in H mode power thresholds. Electron thermal conduction is the dominant thermal loss channel in auxiliary heated plasmas examined thus far. HHFW effectively heats electrons, and its acceleration of fast beam ions has been observed. Evidence for HHFW current drive is obtained by comparison of the loop voltage evolution in plasmas with matched density and temperature profiles but varying phases of launched HHFW waves. Studies of emissions from electron Bernstein waves indicate a density scale length dependence of their transmission across the upper hybrid resonance near the plasma edge that is consistent with theoretical predictions. A peak heat flux to the divertor targets of 10 MW m{sup -2} has been measured in the H mode, with large asymmetries being observed in the power deposition between the inner and outer strike points. Non-inductive plasma startup studies have focused on coaxial helicity injection. With this technique, toroidal currents up to 400 kA have been driven, and studies to assess flux closure and coupling to other current drive techniques have begun.
Research on the spherical torus (or spherical tokamak) (ST) is being pursued to explore the scientific benefits of modifying the field line structure from that in more moderate aspect ratio devices, such as the conventional tokamak. The ST experiments are being conducted in various US research facilities including the MA-class National Spherical Torus Experiment (NSTX) at Princeton, and three medium sized ST research facilities: PEGASUS at University of Wisconsin, HIT-II at University of Washington, and CDX-U at Princeton. In the context of the fusion energy development path being formulated in the US, an ST-based Component Test Facility (CTF) and, ultimately a Demo device, are being discussed. For these, it is essential to develop high performance, steady-state operational scenarios. The relevant scientific issues are energy confinement, MHD stability at high beta ({beta}), non-inductive sustainment, Ohmic-solenoid-free start-up, and power and particle handling. In the confinement area, the NSTX experiments have shown that the confinement can be up to 50% better than the ITER-98-pby2 H-mode scaling, consistent with the requirements for an ST-based CTF and Demo. In NSTX, CTF-relevant average toroidal beta values {beta}{sub T} of up to 35% with a near unity central {beta}{sub T} have been obtained. NSTX will be exploring advanced regimes where {beta}{sub T} up to 40% can be sustained through active stabilization of resistive wall modes. To date, the most successful technique for non-inductive sustainment in NSTX is the high beta poloidal regime, where discharges with a high non-inductive fraction ({approx}60% bootstrap current+NBI current drive) were sustained over the resistive skin time. Research on radio-frequency (RF) based heating and current drive utilizing high harmonic fast wave and electron Bernstein wave is also pursued on NSTX, PEGASUS, and CDX-U. For non-inductive start-up, the coaxial helicity injection, developed in HIT/HIT-II, has been adopted on NSTX to test the method up to I{sub p} {approx} 500 kA. In parallel, start-up using a RF current drive and only external poloidal field coils are being developed on NSTX. The area of power and particle handling is expected to be challenging because of the higher power density expected in the ST relative to that in conventional aspect-ratio tokamaks. Due to its promise for power and particle handling, liquid lithium is being studied in CDX-U as a potential plasma-facing surface for a fusion reactor.
Hyphendated LC-MS techniques are quickly becoming the standard tool for protemic analyses. For large homogeneous samples, bulk processing methods and capillary injection and separation techniques are suitable. However, for analysis of small or heterogeneous samples, techniques that can manipulate picoliter samples without dilution are required or samples will be lost or corrupted; further, static nanospray-type flowrates are required to maximize SNR. Microchip-level integration of sample injection with separation and mass spectrometry allow small-volume analytes to be processed on chip and immediately injected without dilution for analysis. An on-chip HPLC was fabricated using in situ polymerization of both fixed and mobile polymer monoliths. Integration of the chip with a nanospray MS emitter enables identification of peptides by the use of tandem MS. The chip is capable of analyzing of very small sample volumes (< 200 pl) in short times (< 3 min).
Optically detected magnetic resonance (ODMR) has been performed on Si-doped GaN homoepitaxial layers grown by organometallic chemical vapor deposition on free-standing GaN templates. In addition to intense excitonic bandedge emission with narrow linewidths (<0.4 meV), these films exhibit strong shallow donor-shallow acceptor recombination at 3.27 eV. Most notably, ODMR on this photoluminescence band reveals a highly anisotropic resonance with g{sub {parallel}} = 2.193 {+-} 0.001 and g{sub {perpendicular}} {approx}0 as expected for effective-mass shallow acceptors in wurtzitic GaN from k {center_dot} p theory. This previously elusive result is attributed to the much reduced dislocation density and impurity levels compared to those typically found in the widely investigated Mg-doped GaN heteroepitaxial layers. The possible chemical origin of the shallow acceptors in these homoepitaxial films will be discussed.
Sealed lead acid cells are used in many projects in Sandia National Laboratories Department 2660 Telemetry and Instrumentation systems. The importance of these cells in battery packs for powering electronics to remotely conduct tests is significant. Since many tests are carried out in flight or launched, temperature is a major factor. It is also important that the battery packs are properly charged so that the test is completed before the pack cannot supply sufficient power. Department 2665 conducted research and studies to determine the effects of temperature on cycle time as well as charging techniques to maximize cycle life and cycle times on sealed lead acid cells. The studies proved that both temperature and charging techniques are very important for battery life to support successful field testing and expensive flight and launched tests. This report demonstrates the effects of temperature on cycle time for SLA cells as well as proper charging techniques to get the most life and cycle time out of SLA cells in battery packs.
Intracellular molecular machines synthesize molecules, tear apart others, transport materials, transform energy into different forms, and carry out a host of other coordinated processes. Many molecular processes have been shown to work outside of cells, and the idea of harnessing these molecular machines to build nanostructures is attractive. Two examples are microtubules and motor proteins, which aid cell movement, help determine cell shape and internal structure, and transport vesicles and organelles within the cell. These molecular machines work in a stochastic, noisy fashion: microtubules switch randomly between growing and shrinking in a process known as dynamic instability; motor protein movement along microtubules is randomly interrupted by the motor proteins falling off. A common strategy in attempting to gain control over these highly dynamic, stochastic processes is to eliminate some processes (e.g., work with stabilized microtubules) in order to focus on others (interaction of microtubules with motor proteins). In this paper, we illustrate a different strategy for building nanostructures, which, rather than attempting to control or eliminate some dynamic processes, uses them to advantage in building nanostructures. Specifically, using stochastic agent-based simulations, we show how the natural dynamic instability of microtubules can be harnessed in building nanostructures, and discuss strategies for ensuring that 'unreliable' stochastic processes yield a robust outcome.
Coupling between transient simulation codes of different fidelity can often be performed at the nonlinear solver level, if the time scales of the two codes are similar. A good example is electrical mixed-mode simulation, in which an analog circuit simulator is coupled to a PDE-based semiconductor device simulator. Semiconductor simulation problems, such as single-event upset (SEU), often require the fidelity of a mesh-based device simulator but are only meaningful when dynamically coupled with an external circuit. For such problems a mixed-level simulator is desirable, but the two types of simulation generally have different (somewhat conflicting) numerical requirements. To address these considerations, we have investigated variations of the two-level Newton algorithm, which preserves tight coupling between the circuit and the PDE device, while optimizing the numerics for both. The research was done within Xyce, a massively parallel electronic simulator under development at Sandia National Laboratories.
Dynamic memory management in C++ is one of the most common areas of difficulty and errors for amateur and expert C++ developers alike. The improper use of operator new and operator delete is arguably the most common cause of incorrect program behavior and segmentation faults in C++ programs. Here we introduce a templated concrete C++ class Teuchos::RefCountPtr<>, which is part of the Trilinos tools package Teuchos, that combines the concepts of smart pointers and reference counting to build a low-overhead but effective tool for simplifying dynamic memory management in C++. We discuss why the use of raw pointers for memory management, managed through explicit calls to operator new and operator delete, is so difficult to accomplish without making mistakes and how programs that use raw pointers for memory management can easily be modified to use RefCountPtr<>. In addition, explicit calls to operator delete is fragile and results in memory leaks in the presents of C++ exceptions. In its most basic usage, RefCountPtr<> automatically determines when operator delete should be called to free an object allocated with operator new and is not fragile in the presents of exceptions. The class also supports more sophisticated use cases as well. This document describes just the most basic usage of RefCountPtr<> to allow developers to get started using it right away. However, more detailed information on the design and advanced features of RefCountPtr<> is provided by the companion document 'Teuchos::RefCountPtr : The Trilinos Smart Reference-Counted Pointer Class for (Almost) Automatic Dynamic Memory Management in C++'.
The parameterization of the stably stratified atmospheric boundary layer is a difficult issue, having a significant impact on medium-range weather forecasts and climate integrations. To pursue this further, a moderately stratified Arctic case is simulated by nineteen single-column turbulence schemes. Statistics from a large-eddy simulation intercomparison made for the same case by eleven different models are used as a guiding reference. The single-column parameterizations include research and operational schemes from major forecast and climate research centers. Results from first-order schemes, a large number of turbulence kinetic energy closures, and other models were used. There is a large spread in the results; in general, the operational schemes mix over a deeper layer than the research schemes, and the turbulence kinetic energy and other higher-order closures give results closer to the statistics obtained from the large-eddy simulations. The sensitivities of the schemes to the parameters of their turbulence closures are partially explored.
The spinning ball rheometer has been proposed as a method to measure rheological properties of concentrated suspensions. Recent experiments have shown that the measured extra torque on the spinning ball decreases as the radius of the spinning ball becomes comparable to the size of the suspended particle. We have performed a series of three dimensional boundary element calculations of the rheometer geometry to probe the microstructure effects that contribute to the apparent 'slip.' We will present a series of snap-shot results as well as several transient calculations which are compared to the available experimental data. The computational limitations of these large-scale simulations shall also be discussed.
Receptivity of compressible mixing layers to general source distributions is examined by a combined theoretical/computational approach. The properties of solutions to the adjoint Navier-Stokes equations are exploited to derive expressions for receptivity in terms of the local value of the adjoint solution. The result is a description of receptivity for arbitrary small-amplitude mass, momentum, and heat sources in the vicinity of a mixing-layer flow, including the edge-scattering effects due to the presence of a splitter plate of finite width. The adjoint solutions are examined in detail for a Mach 1.2 mixing-layer flow. The near field of the adjoint solution reveals regions of relatively high receptivity to direct forcing within the mixing layer, with receptivity to nearby acoustic sources depending on the source type and position. Receptivity 'nodes' are present at certain locations near the splitter plate edge where the flow is not sensitive to forcing. The presence of the nodes is explained by interpretation of the adjoint solution as the superposition of incident and scattered fields. The adjoint solution within the boundary layer upstream of the splitter-plate trailing edge reveals a mechanism for transfer of energy from boundary-layer stability modes to Kelvin-Helmholtz modes. Extension of the adjoint solution to the far field using a Kirchhoff surface gives the receptivity of the mixing layer to incident sound from distant sources.
The goal of the Blade System Design Study (BSDS) was investigation and evaluation of design and manufacturing issues for wind turbine blades in the one to ten megawatt size range. A series of analysis tasks were completed in support of the design effort. We began with a parametric scaling study to assess blade structure using current technology. This was followed by an economic study of the cost to manufacture, transport and install large blades. Subsequently we identified several innovative design approaches that showed potential for overcoming fundamental physical and manufacturing constraints. The final stage of the project was used to develop several preliminary 50m blade designs. The key design impacts identified in this study are: (1) blade cross-sections, (2) alternative materials, (3) IEC design class, and (4) root attachment. The results show that thick blade cross-sections can provide a large reduction in blade weight, while maintaining high aerodynamic performance. Increasing blade thickness for inboard sections is a key method for improving structural efficiency and reducing blade weight. Carbon/glass hybrid blades were found to provide good improvements in blade weight, stiffness, and deflection when used in the main structural elements of the blade. The addition of carbon resulted in modest cost increases and provided significant benefits, particularly with respect to deflection. The change in design loads between IEC classes is quite significant. Optimized blades should be designed for each IEC design class. A significant portion of blade weight is related to the root buildup and metal hardware for typical root attachment designs. The results show that increasing the number of blade fasteners has a positive effect on total weight, because it reduces the required root laminate thickness.
Exploration of the fundamental chemical behavior of the AlCl{sub 3}/SO{sub 2}Cl{sub 2} catholyte system for the ARDEC Self-Destruct Fuze Reserve Battery Project under accelerated aging conditions was completed using a variety of analytical tools. Four different molecular species were identified in this solution, three of which are major. The relative concentrations of the molecular species formed were found to depend on aging time, initial concentrations, and storage temperature, with each variable affecting the kinetics and thermodynamics of this complex reaction system. We also evaluated the effect of water on the system, and determined that it does not play a role in dictating the observed molecular species present in solution. The first Al-containing species formed was identified as the dimer [Al({mu}-Cl)Cl{sub 2}]{sub 2}, and was found to be in equilibrium with the monomer, AlCl{sub 3}. The second species formed in the reaction scheme was identified by single crystal X-ray diffraction studies as [Cl{sub 2}Al({mu}-O{sub 2}SCl)]{sub 2} (I), a scrambled AlCl{sub 3}{center_dot}SO{sub 2} adduct. The SO{sub 2}(g) present, as well as CL{sub 2}(g), was formed through decomposition of SO{sub 2}CL{sub 2}. The SO{sub 2}(g) generated was readily consumed by AlCl{sub 3} to form the adduct 1 which was experimentally verified when 1 was also isolated from the reaction of SO{sub 2}(g) and AlCl {sub 3}. The third species found was tentatively identified as a compound having the general formula {l_brace}[Al(O)Cl{sub 2}][OSCl{sub 2}]{r_brace}{sub n}. This was based on {sup 27}Al NMR data that revealed a species with tetrahedrally coordinated Al metal centers with increased oxygen coordination and the fact that the precipitate, or gel, that forms over time was shown by Raman spectroscopic studies to possess a component that is consistent with SOCl{sub 2}. The precursor to the precipitate should have similar constituents, thus the assignment of {l_brace}[Al(O)Cl{sub 2}][OSCl{sub 2}]{r_brace}{sub n}. The precipitate was further identified by solid state {sup 27}Al MAS NMR data to possess predominantly octahedral A1 metal center which implies {l_brace}[Al(O)Cl{sub 2}][OSCl{sub 2}]{r_brace}{sub n} must undergo some internal rearrangements. A reaction sequence has been proposed to account for the various molecular species identified in this complex reaction mixture during the aging process. The metallurgical welds were of high quality. These results were all visually determined there was no mechanical testing performed. However, it is recommended that the end plate geometry and weld be changed. If the present weld strength, based on .003' - .005' penetration, is sufficient for unit performance, the end plate thickness can be reduced to .005' instead of the .020' thickness. This will enable the plug to be stamped so that it can form a cap rather than a plug and solve existing problems and increase the amount of catholyte which may be beneficial to battery performance.
Accurate modeling of nucleation, growth and clustering of helium bubbles within metal tritide alloys is of high scientific and technological importance. Of interest is the ability to predict both the distribution of these bubbles and the manner in which these bubbles interact at a critical concentration of helium-to-metal atoms to produce an accelerated release of helium gas. One technique that has been used in the past to model these materials, and again revisited in this research, is percolation theory. Previous efforts have used classical percolation theory to qualitatively and quantitatively model the behavior of interstitial helium atoms in a metal tritide lattice; however, higher fidelity models are needed to predict the distribution of helium bubbles and include features that capture the underlying physical mechanisms present in these materials. In this work, we enhance classical percolation theory by developing the dynamic point-source percolation model. This model alters the traditionally binary character of site occupation probabilities by enabling them to vary depending on proximity to existing occupied sites, i.e. nucleated bubbles. This revised model produces characteristics for one and two dimensional systems that are extremely comparable with measurements from three dimensional physical samples. Future directions for continued development of the dynamic model are also outlined.
Co-firing tests were conducted in a pilot-scale reactor at Sandia National Laboratories and in a boiler at the Hawaiian Commercial & Sugar factory at Puunene, Hawaii. Combustion tests were performed in the Sandia Multi-Fuel Combustor using Australian coal, whole fiber cane including tops and leaves processed at three different levels (milled only, milled and leached, and milled followed by leaching and subsequent milling), and fiber cane stripped of its tops and leaves and heavily processed through subsequent milling, leaching, and milling cycles. Testing was performed for pure fuels and for biomass co-firing with the coal at levels of 30% and 70% by mass. The laboratory tests revealed the following information: (1) The biomass fuels convert their native nitrogen into NO more efficiently than coal because of higher volatile content and more reactive nitrogen complexes. (2) Adding coal to whole fiber cane to reduce its tendency to form deposits should not adversely affect NO emissions. ( 3 ) Stripped cane does not offer a NO advantage over whole cane when co-fired with coal. During the field test, Sandia measured 0 2 , C02, CO, SO2, and NO concentrations in the stack and gas velocities near the superheater. Gas concentrations and velocities fluctuated more during biomass co-firing than during coal combustion. The mean 0 2 concentration was lower and the mean C02 concentration was higher during biomass co-firing than during coal combustion. When normalized to a constant exhaust 0 2 concentration, mean CO concentration was higher and mean NO concentration was lower for biomass co-firing than for coal. The SO2 concentration tracked the use of Bunker C fuel oil. When normalized by the amount of boiler energy input, the amounts of NO and SO2 formed were lower during biomass co-firing than during coal combustion. The difference between NOx trends in the lab and in the field are most likely a result of less effective heat and mass transfer in the boiler. Particles were sampled near the superheater tube using an impaction probe and were analyzed using scanning electron microscopy. Particle loading appeared higher for biomass co-firing than for coal combustion, especially for the smaller particle diameters. Laser-induced breakdown spectroscopy (LIBS) was used to detect silicon, aluminum, titanium, iron, calcium, magnesium, sodium, and potassium concentrations near the superheater. LIBS provided an abundant amount of real-time information. The major constituents of the fuel ash (silicon and aluminum) were also the major measured inorganic constituents of the combustion products. The combustion products were enriched in sodium relative to the fuel ash during all tests, and they were enriched in potassium for the biomass co-firing tests. Alkali metals are enriched because compounds containing these elements are more readily releasable into the combustion products than refractory components that remain in large particles such as silicon, aluminum, and titanium. Relative to the measured deposit chemistry, the combustion flows were enriched in iron, sodium, and potassium, constituents that are known to form fumes laden with fine particles and/or vapors. The LIBS results yield insight into the deposition mechanism: Impaction of larger particles dominates over fume deposition. The present application of LIBS reveals its potential to provide real-time field information on the deposition propensity of different fuels and the effects of different fuels and boiler operating conditions.
A continuum-scale, evolutionary model of helium (He) nano-bubble nucleation, growth and He release for aging bulk metal tritides is presented which accounts for major features of the experimental database. Bubble nucleation, modeled as self-trapping of interstitially diffusing He atoms, is found to occur during the first few days following tritium introduction into the metal and is sensitive to the He diffusivity and pairing energy. An effective helium diffusivity of 0.3 x 10{sup -16} cm{sup 2}/s at 300 K is required to generate the average bubble density of 5x 1017 bubbles/cm3 observed by transmission electron microscopy (TEM). Early bubble growth by dislocation loop punching with a l/radius bubble pressure dependence produces good agreement with He atomic volumes and bubble pressures determined from swelling data, nuclear magnetic resonance (NMR) measurements, and hydride pressure-composition-temperature (PCT) shifts. The model predicts that later in life neighboring bubble interactions may first lower the loop punching pressure through cooperative stress effects, then raise the pressure by partial blocking of loops. It also accounts for the shape of the bubble spacing distribution obtained from NMR data. This distribution is found to remain fixed with age, justifying the separation of nucleation and growth phases, providing a sensitive test of the growth formulation, and indicating that further significant bubble nucleation does not occur throughout life. Helium generated within the escape depth of surfaces and surface-connected porosity produces the low-level early helium release. Accelerated or rapid release is modeled as inter-bubble fracture using an average ligament stress criterion. Good agreement is found between the predicted onset of fracture and the observed He-metal ratio (HeM) for rapid He release from bulk palladium tritide. An examination of how inter-bubble fracture varies over the bubble spacing distribution shows that the critical Hem will be lower for thin films or small particle material. It is concluded that control of He retention can be accomplished through control of bubble nucleation.
A multinational test program is in progress to quantify the aerosol particulates produced when a high energy density device, HEDD, impacts surrogate material and actual spent fuel test rodlets. This program provides needed data that are relevant to some sabotage scenarios in relation to spent fuel transport and storage casks, and associated risk assessments; the program also provides significant political benefits in international cooperation. We are quantifying the spent fuel ratio, SFR, the ratio of the aerosol particles released from HEDD-impacted actual spent fuel to the aerosol particles produced from surrogate materials, measured under closely matched test conditions. In addition, we are measuring the amounts, nuclide content, size distribution of the released aerosol materials, and enhanced sorption of volatile fission product nuclides onto specific aerosol particle size fractions. These data are crucial for predicting radiological impacts. This document includes a thorough description of the test program, including the current, detailed test plan, concept and design, plus a description of all test components, and requirements for future components and related nuclear facility needs. It also serves as a program status report as of the end of FY 2003. All available test results, observations, and analyses - primarily for surrogate material Phase 2 tests using cerium oxide sintered ceramic pellets are included. This spent fuel sabotage - aerosol test program is coordinated with the international Working Group for Sabotage Concerns of Transport and Storage Casks, WGSTSC, and supported by both the U.S. Department of Energy and Nuclear Regulatory Commission.
Bulk and surface energies are calculated for endmembers of the isostructural rhombohedral carbonate mineral family, including Ca, Cd, Co, Fe, Mg, Mn, Ni, and Zn compositions. The calculations for the bulk agree with the densities, bond distances, bond angles, and lattice enthalpies reported in the literature. The calculated energies also correlate with measured dissolution rates: the lattice energies show a log-linear relationship to the macroscopic dissolution rates at circumneutral pH. Moreover, the energies of ion pairs translated along surface steps are calculated and found to predict experimentally observed microscopic step retreat velocities. Finally, pit formation excess energies decrease with increasing pit size, which is consistent with the nonlinear dissolution kinetics hypothesized for the initial stages of pit formation.
The threat from biological weapons is assessed through both a comparative historical analysis of the patterns of biological weapons use and an assessment of the technological hurdles to proliferation and use that must be overcome. The history of biological weapons is studied to learn how agents have been acquired and what types of states and substate actors have used agents. Substate actors have generally been more willing than states to use pathogens and toxins and they have focused on those agents that are more readily available. There has been an increasing trend of bioterrorism incidents over the past century, but states and substate actors have struggled with one or more of the necessary technological steps. These steps include acquisition of a suitable agent, production of an appropriate quantity and form, and effective deployment. The technological hurdles associated with the steps present a real barrier to producing a high consequence event. However, the ever increasing technological sophistication of society continually lowers the barriers, resulting in a low but increasing probability of a high consequence bioterrorism event.
The traditional mono-color statistical pressure snake was modified to function on a color image with target errors defined in HSV color space. Large variations in target lighting and shading are permitted if the target color is only specified in terms of hue. This method works well with custom targets where the target is surrounded by a color of a very different hue. A significant robustness increase is achieved in the computer vision capability to track a specific target in an unstructured, outdoor environment. By specifying the target color to contain hue, saturation and intensity values, it is possible to establish a reasonably robust method to track general image features of a single color. This method is convenient to allow the operator to select arbitrary targets, or sections of a target, which have a common color. Further, a modification to the standard pixel averaging routine is introduced which allows the target to be specified not only in terms of a single color, but also using a list of colors. These algorithms were tested and verified by using a web camera attached to a personal computer.
A nonlinear visual servoing steering law is presented which is used to align a camera view with a visual target. A full color version of statistical pressure snakes is used to identify and track the target with a series of video frames. The nonlinear steering law provides camera-frame centric speed commands to a velocity based servo sub-system. To avoid saturating the subsystem, the commanded speeds are smoothly limited to remain within a finite range. Analytical error analysis is also provided illustrating how the two control gains contribute to the stiffness of the control. The algorithm is demonstrated on a pan and tilt camera system. The control law is able to smoothly realign the camera to point at the target.
Assume a target motion is visible in the video signal. Statistical pressure snakes are used to track a target specified by a single or a multitude of colors. These snakes define the target contour through a series of image plane coordinate points. This report outlines how to compute certain target degrees of freedom. The image contour can be used to efficiently compute the area moments of the target, which in return will yield the target center of mass, as well as the orientation of the target principle axes. If the target has a known shape such as begin rectangular or circular, then the dimensions of this shape can be estimated in units of image pixels. If the physical target dimensions are known apriori, then the measured target dimensions can be used to estimate the target depth.
Statistical pressure snakes are used to track a mono-color target in an unstructured environment using a video camera. The report discusses an algorithm to extract a bar code signal that is embedded within the target. The target is assumed to be rectangular in shape, with the bar code printed in a slightly different saturation and value in HSV color space. Thus, the visual snake, which primarily weighs hue tracking errors, will not be deterred by the presence of the color bar codes in the target. The bar code is generate with the standard 3 of 9 method. Using this method, the numeric bar codes reveal if the target is right-side-up or up-side-down.
Given a video image source, a statistical pressure snake is able to track a color target in real time. This report presents an algorithm that exploits the one-dimensional nature of the visual snake target outline. If the target resembles a four-sided polygon, then the four polygon sides are identified by mapping all image snake point coordinates into Hough space where lines become points. After establishing that four dominant lines are present in snake contour, the polygon corner points are estimated. The computation burden of this algorithm is of the N logN type. The advantage of this method is that it can provide real-time target corner estimates, even if the corners themselves might be occluded.
A new chemically-oriented mathematical model for the development step of the LIGA process is presented. The key assumption is that the developer can react with the polymeric resist material in order to increase the solubility of the latter, thereby partially overcoming the need to reduce the polymer size. The ease with which this reaction takes place is assumed to be determined by the number of side chain scissions that occur during the x-ray exposure phase of the process. The dynamics of the dissolution process are simulated by solving the reaction-diffusion equations for this three-component, two-phase system, the three species being the unreacted and reacted polymers and the solvent. The mass fluxes are described by the multicomponent diffusion (Stefan-Maxwell) equations, and the chemical potentials are assumed to be given by the Flory-Huggins theory. Sample calculations are used to determine the dependence of the dissolution rate on key system parameters such as the reaction rate constant, polymer size, solid-phase diffusivity, and Flory-Huggins interaction parameters. A simple photochemistry model is used to relate the reaction rate constant and the polymer size to the absorbed x-ray dose. The resulting formula for the dissolution rate as a function of dose and temperature is ?t to an extensive experimental data base in order to evaluate a set of unknown global parameters. The results suggest that reaction-assisted dissolution is very important at low doses and low temperatures, the solubility of the unreacted polymer being too small for it to be dissolved at an appreciable rate. However, at high doses or at higher temperatures, the solubility is such that the reaction is no longer needed, and dissolution can take place via the conventional route. These results provide an explanation for the observed dependences of both the dissolution rate and its activation energy on the absorbed dose.
This report describes the methodology, analysis and conclusions of a preliminary assessment carried out for activities and operations at Sandia National Laboratories Building 878, Manufacturing Science and Technology, Organization 14100. The goal of this assessment is to evaluate processes being carried out within the building to determine ways to reduce waste generation and resource use. The ultimate purpose of this assessment is to analyze and prioritize processes within Building 878 for more in-depth assessments and to identify projects that can be implemented immediately.
The Lubkin solution for two spheres pressed together and then subjected to a monotonically increasing axial couple is examined numerically. The Deresiewicz asymptotic solution is compared to the full solution and its utility is evaluated. Alternative approximations for the Lubkin solution are suggested and compared. One approximation is a Pade rational function which matches the analytic solution over all rotations. The other is an exponential approximation that reproduces the asymptotic values of the analytic solution at infinitesimal and infinite rotations. Finally, finite element solutions for the Lubkin problem are compared with the exact and approximate solutions.
A trace explosives detection system typically contains three subsystems: sample collection, preconcentration, and detection. Sample collection of trace explosives (vapor and particulate) through large volumes of airflow helps reduce sampling time while increasing the amount of dilute sample collected. Preconcentration of the collected sample before introduction into the detector improves the sensitivity of the detector because of the increase in sample concentration. By combining large-volume sample collection and preconcentration, an improvement in the detection of explosives is possible. Large-volume sampling and preconcentration is presented using a systems level approach. In addition, the engineering of large-volume sampling and preconcentration for the trace detection of explosives is explained.
A two-year effort focused on applying ASCI technology developed for the analysis of weapons systems to the state-of-the-art accident analysis of a nuclear reactor system was proposed. The Sandia SIERRA parallel computing platform for ASCI codes includes high-fidelity thermal, fluids, and structural codes whose coupling through SIERRA can be specifically tailored to the particular problem at hand to analyze complex multiphysics problems. Presently, however, the suite lacks several physics modules unique to the analysis of nuclear reactors. The NRC MELCOR code, not presently part of SIERRA, was developed to analyze severe accidents in present-technology reactor systems. We attempted to: (1) evaluate the SIERRA code suite for its current applicability to the analysis of next generation nuclear reactors, and the feasibility of implementing MELCOR models into the SIERRA suite, (2) examine the possibility of augmenting ASCI codes or alternatives by coupling to the MELCOR code, or portions thereof, to address physics particular to nuclear reactor issues, especially those facing next generation reactor designs, and (3) apply the coupled code set to a demonstration problem involving a nuclear reactor system. We were successful in completing the first two in sufficient detail to determine that an extensive demonstration problem was not feasible at this time. In the future, completion of this research would demonstrate the feasibility of performing high fidelity and rapid analyses of safety and design issues needed to support the development of next generation power reactor systems.
Proposed for publication in IEEE Transactions on Antennas and Propagation.
A new finite-element time-domain (FETD) volumetric plane-wave excitation method for use with a total- and scattered-field decomposition (TSFD) is rigorously described. This method provides an alternative to the traditional Huygens surface approaches commonly used to impress the incident field into the total-field region. Although both the volumetric and Huygens surface formulations theoretically provide for zero leakage of the impressed wave into the scattered-field region, the volumetric method provides a simple path to numerically realize this. In practice, the level of leakage for the volumetric scheme is determined by available computer precision, as well as the residual of the matrix solution. In addition, the volumetric method exhibits nearly zero dispersion error with regard to the discrete incident field.
A linear elastic constitutive equation for modeling fiber-reinforced laminated composites via shell elements is specified. The effects of transverse shear are included using first-order shear deformation theory. The proposed model is written in a rate form for numerical evaluation in the Sandia quasi-statics code ADAGIO and explicit dynamics code PRESTO. The equation for the critical time step needed for explicit dynamics is listed assuming that a flat bilinear Mindlin shell element is used in the finite element representation. Details of the finite element implementation and usage are given. Finally, some of the verification examples that have been included in the ADAGIO regression test suite are presented.
We report a novel packing mode specific to the cis unsaturated hydrocarbon chain in the title compound, a self-assembled layered double hydroxide-surfactant hybrid nanomaterial, and its influence on crystallite morphology and structure. The kink imposed by the cis double bond in oleate leads to partial overlap between chains on adjacent layers, with incomplete space filling, in contrast to the more usual (and more efficient) mono- and bilayer packings exhibited by the trans analogues. Incorporation of surfactant into the growing crystallite leads to a reversal of the usual LDH growth habit and results in crystallite shapes featuring ribbonlike sheets. The thermal decomposition behavior of the as-prepared organic/inorganic nanocomposites in air and N{sub 2} is described.
This document describes the main functionalities of the Amesos package, version 1.0. Amesos, available as part of Trilinos 4.0, provides an object-oriented interface to several serial and parallel sparse direct solvers libraries, for the solution of the linear systems of equations A X = B where A is a real sparse, distributed matrix, defined as an EpetraRowMatrix object, and X and B are defined as EpetraMultiVector objects. Amesos provides a common look-and-feel to several direct solvers, insulating the user from each package's details, such as matrix and vector formats, and data distribution.
The Trilinos Project is an effort to facilitate the design, development, integration and ongoing support of mathematical software libraries. The goal of the Trilinos Project is to develop parallel solver algorithms and libraries within an object-oriented software framework for the solution of large-scale, complex multiphysics engineering and scientific applications. The emphasis is on developing robust, scalable algorithms in a software framework, using abstract interfaces for flexible interoperability of components while providing a full-featured set of concrete classes that implement all the abstract interfaces. This document introduces the use of Trilinos, version 4.0. The presented material includes, among others, the definition of distributed matrices and vectors with Epetra, the iterative solution of linear systems with AztecOO, incomplete factorizations with IF-PACK, multilevel and domain decomposition preconditioners with ML, direct solution of linear system with Amesos, and iterative solution of nonlinear systems with NOX. The tutorial is a self-contained introduction, intended to help computational scientists effectively apply the appropriate Trilinos package to their applications. Basic examples are presented that are fit to be imitated. This document is a companion to the Trilinos User's Guide [20] and Trilinos Development Guides [21,22]. Please note that the documentation included in each of the Trilinos' packages is of fundamental importance.
As part of a study of carbon-tritium co-deposition, we carried out an experiment on DIII-D involving a toroidally symmetric injection of {sup 13}CH{sub 4} at the top of a LSN discharge. A Monte Carlo code, DIVIMP-HC, which includes molecular breakup of hydrocarbons, was used to model the region near the puff. The interpretive analysis indicates a parallel flow in the SOL of M {parallel} {approx} 0.4 directed toward the inner divertor. The CH{sub 4} is ionized in the periphery of the SOL and so the particle confinement time, T{sub C}, is not high, only {approx} 5 ms, and about 4X lower than if the CH{sub 4} were ionized at the separatrix. For such a wall injection location, however, approximately 60-75% of the CH{sub 4} gets ionized to C{sup +}, C{sup 2+}, etc., and is efficiently transported along the SOL to the inner divertor, trapping hydrogen by co-deposition there.
ML is a multigrid preconditioning package intended to solve linear systems of equations Az = b where A is a user supplied n x n sparse matrix, b is a user supplied vector of length n and x is a vector of length n to be computed. ML should be used on large sparse linear systems arising from partial differential equation (PDE) discretizations. While technically any linear system can be considered, ML should be used on linear systems that correspond to things that work well with multigrid methods (e.g. elliptic PDEs). ML can be used as a stand-alone package or to generate preconditioners for a traditional iterative solver package (e.g. Krylov methods). We have supplied support for working with the AZTEC 2.1 and AZTECOO iterative package [15]. However, other solvers can be used by supplying a few functions. This document describes one specific algebraic multigrid approach: smoothed aggregation. This approach is used within several specialized multigrid methods: one for the eddy current formulation for Maxwell's equations, and a multilevel and domain decomposition method for symmetric and non-symmetric systems of equations (like elliptic equations, or compressible and incompressible fluid dynamics problems). Other methods exist within ML but are not described in this document. Examples are given illustrating the problem definition and exercising multigrid options.
There is a great need for robust, defect-free, highly selective molecular sieve (zeolite) thin film membranes for light gas molecule separations in hydrogen fuel production from CH{sub 4} or H{sub 2}O sources. In particular, we are interested in (1) separating and isolating H{sub 2} from H{sub 2}O and CH{sub 4}, CO, CO{sub 2}, O{sub 2}, N{sub 2} gases; (2) water management in PEMs and (3) as a replacement for expensive Pt catalysts needed for PEMs. Current hydrogen separation membranes are based on Pd alloys or on chemically and mechanically unstable organic polymer membranes. The use of molecular sieves brings a stable (chemically and mechanically stable) inorganic matrix to the membrane [1-3]. The crystalline frameworks have 'tunable' pores that are capable of size exclusion separations. The frameworks are made of inorganic oxides (e.g., silicates, aluminosilicates, and phosphates) that bring different charge and electrostatic attraction forces to the separation media. The resultant materials have high separation abilities plus inherent thermal stability over 600 C and chemical stability. Furthermore, the crystallographically defined (<1 {angstrom} deviation) pore sizes and shapes allow for size exclusion of very similarly sized molecules. In contrast, organic polymer membranes are successful based on diffusion separations, not size exclusion. We envision the impact of positive results from this project in the near term with hydrocarbon fuels, and long term with biomass fuels. There is a great need for robust, defect-free, highly selective molecular sieve (zeolite) thin film membranes for light gas molecule separations in hydrogen fuel production from CH{sub 4} or H{sub 2}O sources. They contain an inherent chemical, thermal and mechanical stability not found in conventional membrane materials. Our goal is to utilize those zeolitic qualities in membranes for the separation of light gases, and to eventually partner with industry to commercialize the membranes. To date, we have successfully: (1) Demonstrated (through synthesis, characterization and permeation testing) both the ability to synthesize defect-free zeolitic membranes and use them as size selective gas separation membranes; these include aluminosilicates and silicates; (2) Built and operated our in-house light gas permeation unit; we have amended it to enable testing of H{sub 2}S gases, mixed gases and at high temperatures. We are initiating further modification by designing and building an upgraded unit that will allow for temperatures up to 500 C, steady-state vs. pressure driven permeation, and mixed gas resolution through GC/MS analysis; (3) Have shown in preliminary experiments high selectivity for H{sub 2} from binary and industrially-relevant mixed gas streams under low operating pressures of 16 psig; (4) Synthesized membranes on commercially available oxide and composite disks (this is in addition to successes we have in synthesizing zeolitic membranes to tubular supports [9]); and (5) Signed a non-disclosure agreement with industrial partner G. E. Dolbear & Associates, Inc., and have ongoing agreements with Pall Corporation for in-kind support supplies and interest in scale-up for commercialization.
This report describes the findings of the effort initiated by the Arab Science and Technology Foundation and the Cooperative Monitoring Center at Sandia National Laboratories to identify, contact, and engage members of the Iraqi science and technology (S&T) community. The initiative is divided into three phases. The first phase, the survey of the Iraqi scientific community, shed light on the most significant current needs in the fields of science and technology in Iraq. Findings from the first phase will lay the groundwork for the second phase that includes the organization of a workshop to bring international support for the initiative, and simultaneously decides on an implementation mechanism. Phase three involves the execution of outcomes of the report as established in the workshop. During Phase 1 the survey team conducted a series of trips to Iraq during which they had contact with nearly 200 scientists from all sections of the country, representing all major Iraqi S&T specialties. As a result of these contacts, the survey team obtained over 450 project ideas from Iraqi researchers. These projects were revised and analyzed to identify priorities and crucial needs. After refinement, the result is approximately 170 project ideas that have been categorized according to their suitability for (1) developing joint research projects with international partners, (2) engaging Iraqi scientists in solving local problems, and (3) developing new business opportunities. They have also been ranked as to high, medium, or low priority.