Publications

Hydrolysis and condensation of organically bridged bis-triethoxysilanes, (EtO){sub 3}Si-R-Si(OEt){sub 3}, results in the formation of three dimensional organic/inorganic hybrid networks (Equation 1). Properties of these materials, including porosity, are dependent on the nature of the bridging group, R. Flexible groups (akylene-spacers longer than five carbons in length) polymerize under acidic conditions to give non-porous materials. Rigid groups (such as arylene-, alkynylene-, or alkenylene) form non-porous, microporous, and macroporous gels. In many cases the pore size distributions are quite narrow. One of the motivations for preparing hybrid organic-inorganic materials is to extend the range of properties available with sol-gel systems by incorporating organic groups into the inorganic network. For example, organically modified silica gels arc either prepared by co-polymerizing an organoalkoxysilane with a silica precursor or surface silylating the inorganic gel. This can serve to increase hydrophobicity or to introduce some reactive organic functionality. However, the type and orientation of these organic functionalities is difficult to control. Furthermore, many organoalkoxysilanes can act to inhibitor even prevent gelation, limiting the final density of organic functionalities. We have devised a new route for preparing highly functionalized pores in hybrid materials using bridging groups that are thermally converted into the desired functionalities after the gel has been obtained. In this paper, we present the preparation and characterization of bridged polysilsesquioxanes with Diels-Alder adducts as the bridging groups from the sol-gel polymerization of monomers 2 and 4. The bridging groups are constructed such that the retro Diela-Alder reaction releases the dienes and leaves the dienophiles as integral parts of the network polymers. In the rigid architecture of a xerogel, this loss of organic functionality should liberate sufficient space to modify the overall porosity. Furthermore, the new porosity will be functionalized with the dienophilic olefin bridging group. We also demonstrate that by changing the type of Diels-Alder adduct used as the bridging group, we can change the temperature at which the retro-Diels-Alder reaction will occur.

This paper describes the model and method used to obtain the periodically estimated uncertainties for measurement of the scattering parameters S{sub 11} and S{sub 22} on a Vector Network Analyzer (VNA). A thru-reflect-line (TRL) method is employed as a second tier calibration to obtain uncertainty estimates using an NIST-calibrated standard. An example of tabulated listings of these uncertainty estimates is presented and the uncertainties obtained for a VNA with 7 mm, 3.5 mm, and type N coaxial interfaces used in the laboratory over several years are summarized.

The study of ecology is taking on increasing global importance as the value of well-functioning ecosystems to human well-being becomes better understood. However, the use of technological systems for the study of ecology lags behind the use of technologies in the study of other disciplines important to human well-being, such as medicine, chemistry and physics. The authors outline four different kinds of large-scale data needs required by land managers for the development of sustainable land use strategies, and which can be obtained with current or future technological systems. They then outline a hypothetical resource management scenario in which data on all those needs are collected using remote and in situ technologies, transmitted to a central location, analyzed, and then disseminated for regional use in maintaining sustainable grazing systems. They conclude by highlighting various data-collection systems and data-sharing networks already in operation.

Laser induced fluorescence has been used to measure the spatial distribution of the two lowest energy argon excited states, 1s{sub 5} and 1s{sub 4}, in inductively driven plasmas containing argon, chlorine and boron trichloride. The behavior of the two energy levels with plasma conditions was significantly different, probably because the 1s{sub 5} level is metastable and the 1s{sub 4} level is radiatively coupled to the ground state but is radiation trapped. The argon data is compared with a global model to identify the relative importance of processes such as electron collisional mixing and radiation trapping. The trends in the data suggest that both processes play a major role in determining the excited state density. At lower rfpower and pressure, excited state spatial distributions in pure argon were peaked in the center of the discharge, with an approximately Gaussian profile. However, for the highest rfpowers and pressures investigated, the spatial distributions tended to flatten in the center of the discharge while the density at the edge of the discharge was unaffected. The spatially resolved excited state density measurements were combined with previous line integrated measurements in the same discharge geometry to derive spatially resolved, absolute densities of the 1s{sub 5} and 1s{sub 4} argon excited states and gas temperature spatial distributions. Fluorescence lifetime was a strong fi.mction of the rf power, pressure, argon fraction and spatial location. Increasing the power or pressure resulted in a factor of two decrease in the fluorescence lifetime while adding Cl{sub 2} or BCl{sub 3} increased the fluorescence lifetime. Excited state quenching rates are derived from the data. When Cl{sub 2} or BCl{sub 3} was added to the plasma, the maximum argon metastable density depended on the gas and ratio. When chlorine was added to the argon plasma, the spatial density profiles were independent of chlorine fraction. While it is energetically possible for argon excited states to dissociate some of the molecular species present in this discharge, it does not appear to be a significant source of dissociation. The major source of interaction between the argon and the molecular species BCl{sub 3} and Cl{sub 2} appears to be through modification of the electron density.

Electron and negative ion densities have been measured in inductively coupled discharges containing C{sub 2}F{sub 6} and CHF{sub 3}. Line integrated electron density was determined using a microwave interferometer, negative ion densities were inferred using laser photodetachment spectroscopy, and electron temperature was determined using a Langmuir probe. For the range of induction powers, pressures and bias power investigated, the electron density peaked at 9 x 10{sup 12} cm{sup -2} (line-integrated) or approximately 9 x 10{sup 11} cm{sup -3}. The negative ion density peaked at approximately 1.3 x 10{sup 11} cm{sup -3}. A maximum in the negative ion density as a function of induction coil power was observed. The maximum is attributed to a power dependent change in the density of one or more of the potential negative ion precursor species since the electron temperature did not depend strongly on power. The variation of photodetachment with laser wavelength indicated that the dominant negative ion was F{sup -}. Measurement of the decay of the negative ion density in the afterglow of a pulse modulated discharge was used to determine the ion-ion recombination rate for CF{sub 4}, C{sub 2}F{sub 6} and CHF{sub 3} discharges.

The load mitigation and energy capture characteristics of twist-coupled HAWT blades that are mounted on a variable speed rotor are investigated in this paper. These blades are designed to twist toward feather as they bend with pretwist set to achieve a desirable twist distribution at rated power. For this investigation, the ADAMS-WT software has been modified to include blade models with bending-twist coupling. Using twist-coupled and uncoupled models, the ADAMS software is exercised for steady wind environments to generate C{sub p} curves at a number of operating speeds to compare the efficiencies of the two models. The ADAMS software is also used to generate the response of a twist-coupled variable speed rotor to a spectrum of stochastic wind time series. This spectrum contains time series with two mean wind speeds at two turbulence levels. Power control is achieved by imposing a reactive torque on the low speed shaft proportional to the RPM squared with the coefficient specified so that the rotor operates at peak efficiency in the linear aerodynamic range, and by limiting the maximum RPM to take advantage of the stall controlled nature of the rotor. Fatigue calculations are done for the generated load histories using a range of material exponents that represent materials from welded steel to aluminum to composites, and results are compared with the damage computed for the rotor without twist-coupling. Results indicate that significant reductions in damage are achieved across the spectrum of applied wind loading without any degradation in power production.

The behavior of H in p-GaN(Mg) at temperatures >400 C is modeled by using energies and vibrational frequencies from density-functional theory to parameterize transport and reaction equations. Predictions agree semiquantitatively with experiment for the solubility, uptake, and release of the H when account is taken of a surface barrier. Hydrogen is introduced into GaN during growth by metal-organic chemical vapor deposition (MOCVD) and subsequent device processing. This impurity affects electrical properties substantially, notably in p-type GaN doped with Mg where it reduces the effective acceptor concentration. Application of density-functional theory to the zincblende and wurtzite forms of GaN has indicated that dissociated H in interstitial solution assumes positive, neutral, and negative charge states. The neutral species is found to be less stable than one or the other of the charged states for all Fermi energies. Hydrogen is predicted to form a bound neutral complex with Mg, and a local vibrational mode ascribed to this complex has been observed. The authors are developing a unified mathematical description of the diffusion, reactions, uptake, and release of H in GaN at the elevated temperatures of growth and processing. Their treatment is based on zero-temperature energies from density functional theory. One objective is to assess the consistency of theory with experiment at a more quantitative level than previously. A further goal is prediction of H behavior pertinent to device processing. Herein is discussed aspects relating to p-type GaN(Mg).

We present a microscopic theory of the excitonic Stokes and anti-Stokes energy transfer mechanisms between two widely separated unequal quantum wells with a large energy mismatch ({Delta}) at low temperatures (T). Exciton transfer through dipolar coupling, photon-exchange coupling and over-barrier ionization of the excitons through exciton-exciton Auger processes are examined. The energy transfer rate is calculated as a function of T and the center-to-center distance d between the two wells. The rates depend sensitively on T for plane-wave excitons. For located excitons, the rates depend on T only through the T-dependence of the localization radius.

This paper discusses the application of multiple characterization methods to radioactive wastes generated by the Sandia National Laboratories/New Mexico (SNL/NM) Environmental Restoration (ER) Project during the excavation of buried materials at the Classified Waste Landfill (CWLF) and the Radioactive Waste Landfill (RWL). These waste streams include nuclear weapon components and other refuse that are surface contaminated or contain sealed radioactive sources with unknown radioactivity content. Characterization of radioactive constituents in RWL and CWLF waste has been problematic, due primarily to the lack of documented characterization data prior to burial. A second difficulty derives from the limited information that ER project personnel have about weapons component design and testing that was conducted in the early days of the Cold War. To reduce the uncertainties and achieve the best possible waste characterization, the ER Project has applied both project-specific and industry-standard characterization methods that, in combination, serve to define the types and quantities of radionuclide constituents in the waste. The resulting characterization data have been used to develop waste profiles for meeting disposal site waste acceptance criteria.

The presence of damage in the form of microcracks can increase the permeability of salt. In this paper, an analytical formulation of the permeability of damaged rock salt is presented for both initially intact and porous conditions. The analysis shows that permeability is related to the connected (i.e., gas accessible) volumetric strain and porosity according to two different power-laws, which may be summed to give the overall behavior of a porous salt with damage. This relationship was incorporated into a constitutive model, known as the Multimechanism Deformation Coupled Fracture (MDCF) model, which has been formulated to describe the inelastic flow behavior of rock salt due to coupled creep, damage, and healing. The extended model was used to calculate the permeability of rock salt from the Waste Isolation Pilot Plant (WIPP) site under conditions where damage evolved with stress over a time period. Permeability changes resulting from both damage development under deviatoric stresses and damage healing under hydrostatic pressures were considered. The calculated results were compared against experimental data from the literature, which indicated that permeability in damaged intact WIPP salt depends on the magnitude of the gas accessible volumetric strain and not on the total volumetric strain. Consequently, the permeability of WIPP salt is significantly affected by the kinetics of crack closure, but shows little dependence on the kinetics of crack removal by sintering.

This work combines focused ion beam sputtering and ultra-precision machining for microfabrication of metal alloys and polymers. Specifically, micro-end mills are made by Ga ion beam sputtering of a cylindrical tool shank. Using an ion energy of 20 keV, the focused beam defines the tool cutting edges that have submicrometer radii of curvature. We demonstrate 25 μm diameter micromilling tools having 2, 4 and 5 cutting edges. These tools fabricate fine channels, 26-28 microns wide, in 6061 aluminum, brass, and polymethyl methacrylate. Micro-tools are structurally robust and operate for more than 5 hours without fracture.

Hydrogen was ion-implanted into wurtzite-phase GaN, and its transport, bound states, and microstructural effects during annealing up to 980°C were investigated by nuclear-reaction profiling, ion-channeling analysis, transmission electron microscopy, and infrared (IR) vibrational spectroscopy. At implanted concentrations vl at.%, faceted H2 bubbles formed, enabling identification of energetically preferred surfaces, examination of passivating N-H states on these surfaces, and determination of the diffusivity-solubility product of the H. Additionally, the formation and evolution of point and extended defects arising from implantation and bubble formation were characterized. At implanted H concentrations AÜ.1 at.%, bubble formation was not observed, and ion-channeling analysis indicated a defect-related H site located within the [0001] channel. © 1999 Materials Research Society.

We present advances in the application of laser scanning confocal microscopy (LSCM) to image, reconstruct, and characterize statistically the microgeometry of porous geologic and engineering materials. We discuss technical and practical aspects of this imaging technique, including both its advantages and limitations. Confocal imaging can be used to optically section a material, with sub-micron resolution possible in the lateral and axial planes. The resultant volumetric image data, consisting of fluorescence intensities for typically ~50 million voxels in XYZ space, can be used to reconstruct the three-dimensional structure of the two-phase medium. We present several examples of this application, including studying pore geometry in sandstone, characterizing brittle failure processes in low-porosity rock deformed under triaxial loading conditions in the laboratory, and analyzing the microstructure of porous ceramic insulations. We then describe approaches to extract statistical microgeometric descriptions from volumetric image data, and present results derived from confocal volumetric data sets. Finally, we develop the use of confocal image data to automatically generate a three-dimensional mesh for numerical pore-scale flow simulations.

Inertial MEMS sensors such as accelerometers and angular rotation sensing devices continue to improve in performance as advances in design and processing are made. Present state-of-the-art accelerometers have achieved performance levels in the laboratory that are consistent with requirements for successful application in tactical weapon navigation systems. However, sensor performance parameters that are of interest to the designer of inertial navigation systems are frequently not adequately addressed by the MEMS manufacturer. This paper addresses the testing and characterization of a MEMS accelerometer from an inertial navigation perspective. The paper discusses test objectives, data reduction techniques and presents results from the test of a three-axis MEMS accelerometer conducted at Sandia National Laboratories during 1997. The test was structured to achieve visibility and characterization of the accelerometer bias and scale factor stability over time and temperature. Sandia is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under contract DE-AC04-94AL85000.

The solidification behavior and resultant solidification cracking susceptibility of autogenous gas tungsten arc fusion welds in Alloy HR-160 was investigated by Varestraint testing, differential thermal analysis and various microstructural characterization techniques. The alloy exhibited a liquidus temperature of 1387 °C and initiated solidification by a primary L→γ reaction in which Ni, Si and Ti segregated to the interdendritic liquid and cosegregated to the γ dendrite cores. Chromium exhibited no preference for segregation to the solid or liquid phase during solidification. Solidification terminated at ≈1162 °C by a eutectic-type L→[γ+ (Ni,Co)16(Ti,Cr)6Si7] reaction. The (Ni,Co)16(Ti,Cr)6Si7] phase is found to be analogous to the G phase that forms in the Ni-Ti-Si and Co-Ti-Si ternary systems, and similarities are found between the solidification behavior of this commercial multicomponent alloy and the simple Ni-Si and Ni-Ti binary systems. Reasonable agreement is obtained between the calculated and measured volume percent of the [γ+(Ni,Co)16(Ti,Cr)6Si7] eutectic-type constituent with the Scheil equation using experimentally determined k values for Si and Ti from electron microprobe data. The alloy exhibited a very high susceptibility to solidification cracking in the Varestraint test. This is attributed to a large solidification temperature range of 225 °C and the presence of 2-5 vol-% solute-rich interdendritic liquid that preferentially wets the grain boundaries and interdendritic regions.

Wet oxidation of high-Al-content AlGaAs semiconductor layers in vertical cavity surface emitting lasers (VCSELs) has produced devices with record low threshold currents and voltages and with wall-plug efficiencies greater than 50%. Wet oxidation of buried AlGaAs layers has been employed to reduce the problems associated with substrate current leakage in GaAs-oninsulator (GOI) MESFETs. Wet oxidation has also been considered as a route to the long-sought goal of a III-V MIS technology. To continue improving device designs for even higher performance and to establish a truly manufacturable technology based on wet oxidation, the effect of oxidation of a given layer on the properties of the entire device structure must be understood. The oxidation of a given layer can strongly affect the electrical and chemical properties of adjacent layers. Many of these effects are derived from the production of large amounts of elemental As during the oxidation reaction, the resultant generation of point defects, and the diffusion of these defects into adjacent regions. This can modify the chemical and electrical properties of these regions in ways that can impact device design, fabrication, and performance. Current understanding of the problem is discussed here ©1999 Materials Research Society.

The diffuse behavior of penetrants in simple polymer melts was investigated by molecular dynamics simulation. For the case where the polymer melt consisted of pearl-necklace chains, the diffusive behavior of the loose pearl penetrants was seen to be qualitatively different than would be expected in realistic models of polymer melts. In particular, there was little or no "non-Fickian" region; the variation of the diffusion coefficient with the penetrant diameter was what one would expect for diffusion through small molecular liquids; and, finally, the long time tail of the velocity autocorrelation displayed a "-3/2" power law form, also as in the small molecular liquid case. When the chains' backbone motion was further constrained by the introduction of a bond angle potential, the qualitative nature of the penetrant diffusion became more "polymer-like." A non-Fickian region developed; the diffusion coefficient varied more rapidly with penetrant diameter; and the velocity autocorrelation function developed a "-5/2" power law tail. © 1999 American Institute of Physics.

Three-dimensional photonic lattices are engineered 'materials' which are the photonic analogues of semiconductors. These structures were first proposed and demonstrated in the mid-to-late 1980's. However, due to fabrication difficulties, lattices active in the infrared are only just emerging. Wide ranges of structures and fabrication approaches have been investigated. The most promising approach for many potential applications is a diamond-like structure fabricated using silicon microprocessing techniques. This approach has enabled the fabrication of 3-D silicon photonic lattices active in the infrared. The structures display band gaps centered from 12μ down to 1.55μ.

Failure analysis (FA) tools have been applied to analyze failing polysilicon microengines. These devices were stressed to failure under accelerated conditions in both oxidizing and non-oxidizing environments. The dominant failure mechanism of these microengines was identified as wear of rubbing surfaces. This often results in either seized microengines or microengines with broken pin joints. Analysis of these failed polysilicon devices found that wear debris was produced in both oxidizing and non-oxidizing environments. By varying the relative percent humidity (%RH), we observed an increase in the amount of wear debris with decreasing humidity. Plan view imaging using scanning electron microscopy revealed build-up of wear debris on the surface of microengines. Focused ion beam (FIB) cross sections revealed the location and build-up of wear debris within the microengine. Seized regions were also observed in the pin joint area using FIB processing. By using transmission electron microscopy in conjunction with energy dispersive x-ray spectroscopy (EDX) and electron energy loss spectroscopy (EELS), we were able to identify wear debris produced in low (1.8% RH), medium and high (39% RH) humidities.

We have been studying the use of spectral imagery to locate targets in spectrally interfering backgrounds. In making performance estimates for various sensors it has become evident that some calculations are unreliable because of overfitting. Hence, we began a thorough study of the problem of overfitting in multivariate classification. In this paper we present some model based results describing the problem. From the model we know the ideal covariance matrix, the ideal discriminant vector, and the ideal classification performance. We then investigate how experimental conditions such as noise, number of bands, and number of samples cause discrepancies from the ideal results. We also suggest ways to discover and alleviate overfitting.

We discuss an electrostatics problem whose solution must lie in the set script capital L sign of all real n-by-n symmetric matrices with all row sums equal to zero. With respect to the Frobenius norm, we provide an algorithm that finds the member of script capital L sign which is closest to any given n-by-n matrix, and determines the distance between the two. This algorithm makes it practical to find the distances to script capital L sign of finite element approximate solutions of the electrostatics problem, and to reject those which are not sufficiently close. © 1999 Elsevier Science Inc. All rights reserved.

In this paper a hybrid, finite element - boundary element method which can be used to solve for particle advection-diffusion in infinite domains with variable advective fields is presented. In previous work either boundary element, finite element, or difference methods have been used to solve for particle motion in advective-diffusive domains. These methods have a number of limitations. Due to the complexity of computing spatially dependent Green's functions, the boundary element method is limited to domains containing only constant advective fields, and due to their inherent formulation, finite element and finite difference methods are limited to only domains of finite spatial extent. Thus, finite element and finite difference methods are limited to finite space problems for which the boundary element method is not, and the boundary element method is limited to constant advection field problems for which finite element and finite difference methods are not. In this paper it is proposed to split a domain into two subdomains, and for each of these sub domains, apply the appropriate solution method; thereby, producing a method for the total infinite space, variable advective field domain.

The strength and modulus of amorphous diamond, a new material for surface micromachined MEMS and sensors, was tested in uniaxial tension by pulling laterally with a flat tipped diamond in a nanoindenter. Several sample designs were attempted. Of those, only the single layer specimen with a 1 by 2 {micro}m gage cross section and a fixed end rigidly attached to the substrate was successful. Tensile load was calculated by resolving the measured lateral and normal forces into the applied tensile force and frictional losses. Displacement was corrected for machine compliance using the differential stiffness method. Post-mortem examination of the samples was performed to document the failure mode. The load-displacement data from those samples that failed in the gage section was converted to stress-strain curves using carefully measured gage cross section dimensions. Mean fracture strength was found to be 8.5 {+-} 1.4 GPa and the modulus was 831 {+-} 94 GPa. Tensile results are compared to hardness and modulus measurements made using a nanoindenter.

The behavior of MEMS devices is limited by the strength of critical features such as thin ligaments, oxide cuts joining layers, pin joints and hinges. Devices fabricated at Sandia's Microelectronic Development Laboratory have been successfully tested to investigate these features. A series of measurements were performed on samples with gage lengths of 15 to 1000 microns, using conventional and tungsten coated samples as well as samples that include the critical features of standard components in the test section. Specimens have a freely moving pin joint on one end that anchors the sample to the silicon die to allow rotation to reduce effects of bending. Each sample is loaded in uniaxial tension by pulling laterally with a flat tipped diamond in a computer-controlled Nanoindenter. Load is calculated by resolving the measured lateral and normal forces into the applied tensile force and frictional losses. The specimen cross section and gage length dimensions were verified by measuring against a standard in the SEM. Multiple tests can be programmed at one time and performed without operator assistance allowing the collection of significant populations of data.

Sandia National Laboratories is developing polyurethane foam as a chemical grout for lost circulation zones. In past work polyurethane foam was tried with limited success in laboratory tests and GDO sponsored field tests. Goals were that the foam expanded significantly and harden to a drillable firmness quickly. Since that earlier work there have been improvements in polyurethane chemistry and the causes of the failures of previous tests have been identified. Recent success in applying pure solution grouts (proper classification of polyurethane - Naudts) in boreholes encourages reevaluating its use to control lost circulation. These successes include conformance control in the oil patch (e.g. Ng) and dam remediation projects. In civil engineering, polyurethane is becoming the material of choice for sealing boreholes with large voids and high inflows, conditions associated with the worst lost circulation problems. Demonstration of a delivery mechanism is yet to be done in a geothermal borehole.

Abstract not provided.

A design of experiments (DoE) was performed at Ceramtec to improve the yield of a cermet part known as the feedthru insulator. The factors chosen to be varied in this DoE were syringe orifice size, fill condition, solvent, and surfactant. These factors were chosen because of their anticipated effect on the cermet slurry and its consequences to the feedthru insulator in succeeding fabrication operations. Response variables to the DoE were chosen to be indirect indicators of production yield for the feedthru insulator. The solvent amount used to mix the cermet slurry had the greatest overall effect on the response variables. Based upon this DoE, there is the potential to improve the yield not only for the feedthru insulator but for other cermet parts as well. This report thoroughly documents the DoE and contains additional information regarding the feedthru insulator.

For a wide variety of scientific and engineering problems the desired solution corresponds to an optimal set of objective function parameters, where the objective function measures a solution's quality. The main goal of the LDRD ''Global Optimization for Engineering Science Problems'' was the development of new robust and efficient optimization algorithms that can be used to find globally optimal solutions to complex optimization problems. This SAND report summarizes the technical accomplishments of this LDRD, discusses lessons learned and describes open research issues.

This report presents a specification for the Portals 3.0 message passing interface. Portals 3.0 is intended to allow scalable, high-performance network communication between nodes of a parallel computing system. Specifically, it is designed to support a parallel computing platform composed of clusters of commodity workstations connected by a commodity system area network fabric. In addition, Portals 3.0 is well suited to massively parallel processing and embedded systems. Portals 3.0 represents an adoption of the data movement layer developed for massively parallel processing platforms, such as the 4500-node Intel TeraFLOPS machine.

An algorithm is developed to control a pulsed {Delta}V thruster on a small satellite to allow it to fly in formation with a host satellite undergoing time dependent atmospheric drag deceleration. The algorithm uses four short thrusts per orbit to correct for differences in the average radii of the satellites due to differences in drag and one thrust to symmetrize the orbits. The radial difference between the orbits is the only input to the algorithm. The algorithm automatically stabilizes the orbits after ejection and includes provisions to allow azimuthal positional changes by modifying the drag compensation pulses. The algorithm gives radial and azimuthal deadbands of 50 cm and 3 m for a radial measurement accuracy of {+-} 5 cm and {+-} 60% period variation in the drag coefficient of the host. Approaches to further reduce the deadbands are described. The methodology of establishing a stable orbit after ejection is illustrated in an appendix. The results show the optimum ejection angle to minimize stabilization thrust is upward at 86{sup o} from the orbital velocity. At this angle the stabilization velocity that must be supplied by the thruster is half the ejection velocity. An ejection velocity of 0.02 m/sat 86{sup o} gives an azimuthal separation after ejection and orbit stabilization of 187 m. A description of liquid based gas thrusters suitable for the satellite control is included in an appendix.

This report is a summary of the work completed for an LDRD project. The objective of the project was to develop a solid freeform fabrication technique for ceramics and composites from fine particle slurries. The work was successful and resulted in the demonstration of a manufacturing technique called robocasting. Some ceramic components may pow be fabricated without the use of molds or tooling by dispensing colloidal suspensions through an orifice and stacking two-dimensional layers into three-dimensional shapes. Any conceivable two-dimensional pattern may be ''written'' layer by layer into a three-dimensional shape. Development of the robocasting technique required the materials expertise for fabrication and theological control of very highly concentrated fine particle slurries, and development of robotics for process control and optimization. Several ceramic materials have been manufactured and characterized. Development of techniques for robocasting multiple materials simultaneously have also been developed to build parts with unique structures or graded compositions.

The U.S. Department of Energy (DOE) has been cooperating with the Republic of Kazakhstanin Combined Threat Reduction (CTR) activities at the BN350 reactor located at the Mangyshlak Atomic Energy Complex (MAEC) in the city of Aktau, Kazakhstan since 1994. DOE contract personnel have been stationed at this facility for the last two years and DOE representatives regularly visit this location to oversee the continuing cooperative activities. Continued future cooperation is planned. A Russian news report in September 1999 indicated that 75 metric tons of organic peroxides stored at the Plastics Plant near Aktau were in danger of exploding and killing or injuring nearby residents. To ensure the health and safety of the personnel at the BN350 site, the DOE conducted a study to investigate the potential danger to the BN350 site posed by these materials at the Plastics Plant. The study conclusion was that while the organic peroxides do have hazards associated with them, the BN350 site is a safe distance from the Plastics Plant. Further, because the Plastics Plant and MAEC have cooperative fire-fighting agreements,and the Plastics Plant had exhausted its reserve of fire-fighting foam, there was the possibility of the Plastics Plant depleting the store of fire-fighting foam at the BN350 site. Subsequently, the DOE decided to purchase fire-fighting foam for the Plastics Plant to ensure the availability of free-fighting foam at the BN350 site.

Analysis programs have been having to deal with more and more complex objects as the capability to model fine detail increases. This can make them unacceptably slow. This project attempts to find heuristics for removing features from models in an automatic fashion in order to reduce polygon count. The approach is not one of theoretical completeness but rather one of trying to achieve useful results with scattered practical ideas. By removing a few simple things such as screw holes, slots, chambers, and fillets, large gains can be realized. Results varied but a reduction in the number of polygons by a factor of 10 is not unusual.

Abstract not provided.

Currently the most common method to determine the contents of a package suspected of containing an explosive device is to use transmission radiography. This technique requires that an x-ray source and film be placed on opposite sides of the package. This poses a problem if the package is placed so that only one side is accessible, such as against a wall. There is also a threat to personnel and property since explosive devices may be booby trapped. The authors have developed a method to x-ray a package using backscattered x-rays based on similar work for landmine detection. This procedure eliminates the use of film behind the target. All of the detection is done from the same side as the source. Backscatter experiments at Sandia National Laboratories have been conducted on mock bombs in packages. They are able to readily identify the bomb components. The images that are obtained in this procedure are done in real time and the image is displayed on a computer screen. Preliminary experiments have also imaged objects within or behind a wall. They are currently using a scanning x-ray source and scintillating plastic detectors. It can take several hours to image a briefcase size object. This time could be reduced if better x-ray detection methods could be used. They have looked at using pinhole photography and CCD cameras to reduce this time.

This report summarizes general guidelines for the development of Verification and Validation (V and V) plans for ASCI code projects at Sandia National Laboratories. The main content categories recommended by these guidelines for explicit treatment in Sandia V and V plans are (1) stockpile drivers influencing the code development project (2) the key phenomena to be modeled by the individual code; (3) software verification strategy and test plan; and (4) code validation strategy and test plans. The authors of this document anticipate that the needed content of the V and V plans for the Sandia ASCI codes will evolve as time passes. These needs will be reflected by future versions of this document.

This paper describes formulations of the Evaluation Planning Module that have been developed since its inception. This module is one of the core algorithms in the Pantex Process Model, a computerized model to support production planning in a complex manufacturing system at the Pantex Plant, a US Department of Energy facility. Pantex is responsible for three major DOE programs -- nuclear weapons disposal, stockpile evaluation, and stockpile maintenance -- using shared facilities, technicians, and equipment. The model reflects the interactions of scheduling constraints, material flow constraints, and the availability of required technicians and facilities.

The Auxiliary Hot Cell Facility (AHCF) at Sandia National Laboratories, New Mexico (SNL/NM) will be a Hazard Category 3 nuclear facility used to characterize, treat, and repackage radioactive and mixed material and waste for reuse, recycling, or ultimate disposal. A significant upgrade to a previous facility, the Temporary Hot Cell, will be implemented to perform this mission. The following major features will be added: a permanent shield wall; eight floor silos; new roof portals in the hot-cell roof; an upgraded ventilation system; and upgraded hot-cell jib crane; and video cameras to record operations and facilitate remote-handled operations. No safety-class systems, structures, and components will be present in the AHCF. There will be five safety-significant SSCs: hot cell structure, permanent shield wall, shield plugs, ventilation system, and HEPA filters. The type and quantity of radionuclides that could be located in the AHCF are defined primarily by SNL/NM's legacy materials, which include radioactive, transuranic, and mixed waste. The risk to the public or the environment presented by the AHCF is minor due to the inventory limitations of the Hazard Category 3 classification. Potential doses at the exclusion boundary are well below the evaluation guidelines of 25 rem. Potential for worker exposure is limited by the passive design features incorporated in the AHCF and by SNL's radiation protection program. There is no potential for exposure of the public to chemical hazards above the Emergency Response Protection Guidelines Level 2.

The importance of turbulent fluctuations in temperature and species concentration in thermal radiation transport modeling for combustion applications is well accepted by the radiation transport and combustion communities. A number of experimental and theoretical studies over the last twenty years have shown that fluctuations in the temperature and species concentrations may increase the effective emittance of a turbulent flame by as much as 50% to 300% over the value that would be expected from the mean temperatures and concentrations. With the possibility of such a large effect on the principal mode of heat transfer from a fire, it is extremely important for fire modeling efforts that turbulence radiation interaction be well characterized and possible modeling approaches understood. Toward this end, this report seeks to accomplish three goals. First, the principal turbulence radiation interaction closure terms are defined. Second, an order of magnitude analysis is performed to understand the relative importance of the various closure terms. Finally, the state of the art in turbulence radiation interaction closure modeling is reviewed. Hydrocarbon pool fire applications are of particular interest in this report and this is the perspective from which this review proceeds. Experimental and theoretical analysis suggests that, for this type of heavily sooting flame, the turbulent radiation interaction effect is dominated by the nonlinear dependence of the Planck function on the temperature. Additional effects due to the correlation between turbulent fluctuations in the absorptivity and temperature may be small relative to the Planck function effect for heavily sooting flames. This observation is drawn from a number of experimental and theoretical discussions. Nevertheless, additional analysis and data is needed to validate this observation for heavily sooting buoyancy dominated plumes.

Abstract not provided.

Designing and developing the 1.7 to 2.1-MJ Power Conditioning System (PCS), that will power the flashlamps of the main and power amplifiers for the National Ignition Facility (NIF) lasers, is one of several responsibilities assumed by Sandia National Labs (SNL) in support of the NIF Project. Maxwell Physics International has been a partner in this process. The NIF is currently being constructed at Lawrence Livermore National Labs (LLNL). The test facility that has evolved over the last three years to satisfy the project requirements is called FANTM, for the First Article NIF Test Module. It was built at SNL and operated for about 17,000 shots to demonstrate component performance expectations over the lifetime of NIF. A few modules similar to the one shown in Fig. 1 will be used initially in the amplifier test phase of the project. The final full NIF system will require at least 192 of them in four capacitor bays. This paper briefly summarizes the final design of the FANTM facility and compares its performance with the predictions of circuit simulations for both normal operation and fault-mode response. Applying both the measured and modeled power pulse waveforms as input to a physics-based, semi-empirical amplifier gain code indicates that the 20-capacitor PCS can satisfy the NIF requirement for an average gain coefficient of 5.00 %/cm and can exceed 5.20 %/cm with 24 capacitors.

Embedded resistor circuits have been generated with the use of a Micropen system Ag conductor paste (DuPont 6142D), a new experimental resistor ink from DuPont (E84005-140), and Low Temperature Co-fired Ceramic (LTCC) green tape (DuPont A951). Sample circuits were processed under varying peak temperature ranges (835 C-875 C) and peak soak times (10 min-720 min). Resistors were characterized by SEM, TEM, EDS, and high-temperature XRD. Results indicate that devitrification of resistor glass phase to Celcian, Hexacelcian, and a Zinc-silicate phase occurred in the firing ranges used (835-875 C) but kinetics of divitrification vary substantially over this temperature range. The resistor material appears structurally and chemically compatible with the LTCC. RuO{sub 2} grains do not significantly react with the devitrifying matrix material during processing. RuO{sub 2} grains coarsen significantly with extended time and temperature and the electrical properties appear to be strongly affected by the change in RuO{sub 2} grain size.

Design Tools use a Web-based Java interface to guide a product designer through the design-to-analysis cycle for a specific, well-constrained design problem. When these Design Tools are mapped onto a Web-based distributed architecture for high-performance computing, the result is a family of Distributed Design Tools (DDTs). The software components that enable this mapping consist of a Task Sequencer, a generic Script Execution Service, and the storage of both data and metadata in an active, object-oriented database called the Product Database Operator (PDO). The benefits of DDTs include improved security, reliability, scalability (in both problem size and computing hardware), robustness, and reusability. In addition, access to the PDO unlocks its wide range of services for distributed components, such as lookup and launch capability, persistent shared memory for communication between cooperating services, state management, event notification, and archival of design-to-analysis session data.

The addition of up to approximately 16 mole% Cs{sub 2}O to vitreous P{sub 2}O{sub 5} reduces the glass transition temperature (T{sub g}) by 150 K, whereas further additions up to 50 mole% produce little additional change in T{sub g}. {sup 31}P magic angle spinning nuclear magnetic resonance spectra indicate that the phosphate network is progressively dipolymerized over the entire range of compositions. The property trend is explained by a transition in the Cs{sup +} coordination environment, from isolated Cs-polyhedra below {approximately}16 mole% Cs{sub 2}O to a corner-sharing Cs-polyhedral sub-structure in the glasses with greater Cs{sub 2}O contents. This modifier transition does not occur in Al-phosphate glasses. {sup 27}Al MAS NMR spectra indicate that the average Al coordination number decreases with increasing Al{sub 2}O{sub 3} content to avoid the formation of Al-O-Al bonds in these binary phosphate glasses.

The Sandia National Laboratories/New Mexico (SNL/NM)Environmental Restoration Project is currently excavating the Classified Waste Landfill in Technical Area II, a disposal area for weapon components for approximately 40 years until it closed in 1987. Many different types of classified parts were disposed in unlined trenches and pits throughout the course of the landfill's history. A percentage of the parts contain explosives and/or radioactive components or contamination. The excavation has progressed backward chronologically from the last trenches filled through to the earlier pits. Excavation commenced in March 1998, and approximately 75 percent of the site (as defined by geophysical anomalies) has been completed as of November 1999. The material excavated consists primarily of classified weapon assemblies and related components, so disposition must include demilitarization and sanitization. This has resulted in substantial waste minimization and cost avoidance for the project as upwards of 90 percent of the classified materials are being demilitarized and recycled. The project is using field screening and lab analysis in conjunction with preliminary and in-process risk assessments to characterize soil and make waste determinations in a timely a fashion as possible. Challenges in waste management have prompted the adoption of innovative solutions. The hand-picked crew (both management and field staff) and the ability to quickly adapt to changing conditions has ensured the success of the project. The current schedule is to complete excavation in July 2000, with follow-on verification sampling, demilitarization, and waste management activities following.

Hydrogen atom-hydrogen atom scattering is a prototype for many of the fundamental principles of atomic collisions. In this paper we present an approximation to the H + H system for scattering in the intermediate energy regime of 1-100 keV. The approximation ignores electron exchange and two-electron excitation by assuming that one of the atoms is frozen in the 1s state. We allow for the evolution of the active electron by numerically solving the 3D Schrodinger equation. This approximation is by nature most appropriate for higher-energy collisions. The results capture many features of the problem and are in harmony with recent theoretical studies. Excitation and ionization cross sections are computed and compared with other theory and experiment. New insight into the mechanism of excitation and ionization is inferred from the solutions.

AR coating design for multi-junction solar cells can be more challenging than in the single junction case. Reasons for this are discussed. Analytical expressions used to optimize AR coatings for single junction solar cells are extended for use in monolithic, series interconnected multi-junction solar cell AR coating design. The result is an analytical expression which relates the solar cell performance (through J{sub SC}) directly to the AR coating design through the device reflectance. It is also illustrated how AR coating design can be used to provide an additional degree of freedom for current matching multi-junction devices.

We report on a new method to make nanostructures, in this case selenium nanowires, in aqueous solution at room temperature. We used the protein cytochrome c{sub 3} to reduce selenate (SeO{sub 4}{sup 2{minus}}) to selenium (Se{sup 0}). Cytochrome c{sub 3} is known for its ability to catalyze reduction of metals including U{sup VI} {yields} U{sup IV}, Cr{sup VI} {yields} Cr{sup III}, Mo{sup VI} {yields} Mo{sup IV}, Cu{sup II} {yields} Cu{sup 0}, Pb{sup II} {yields} Pb{sup 0}, Hg{sup II} {yields} Hg{sup 0}. Nanoparticles of Se{sup 0} precipitated from an aqueous solution at room temperature, followed by spontaneous self-assembling into nanowires. Cytochrome c{sub 3} was extracted from the sulfate-reducing bacteria Desulfovibrio vulgaris (strain Holdenborough) and isolated by the procedure of DerVartanian and Legall.

Ceramics represent a unique class of materials that are distinguished from common metals and plastics by their: (1) high hardness, stiffness, and good wear properties (i.e., abrasion resistance); (2) ability to withstand high temperatures (i.e., refractoriness); (3) chemical durability; and (4) electrical properties that allow them to be electrical insulators, semiconductors, or ionic conductors. Ceramics can be broken down into two general categories, traditional and advanced ceramics. Traditional ceramics include common household products such as clay pots, tiles, pipe, and bricks, porcelain china, sinks, and electrical insulators, and thermally insulating refractory bricks for ovens and fireplaces. Advanced ceramics, also referred to as ''high-tech'' ceramics, include products such as spark plug bodies, piston rings, catalyst supports, and water pump seals for automobiles, thermally insulating tiles for the space shuttle, sodium vapor lamp tubes in streetlights, and the capacitors, resistors, transducers, and varistors in the solid-state electronics we use daily. The major differences between traditional and advanced ceramics are in the processing tolerances and cost. Traditional ceramics are manufactured with inexpensive raw materials, are relatively tolerant of minor process deviations, and are relatively inexpensive. Advanced ceramics are typically made with more refined raw materials and processing to optimize a given property or combination of properties (e.g., mechanical, electrical, dielectric, optical, thermal, physical, and/or magnetic) for a given application. Advanced ceramics generally have improved performance and reliability over traditional ceramics, but are typically more expensive. Additionally, advanced ceramics are typically more sensitive to the chemical and physical defects present in the starting raw materials, or those that are introduced during manufacturing.

A technique has been developed to selectively induce metastable pitting while preventing the transition to stable pit growth. The current-limited imposed-potential (CLIP) technique limits available cathodic current to an initiated site using a resistor in series with the working electrode to form a voltage divider. Potentiodynamic CLIP testing yields a distribution of breakdown potentials from a single experiment. Potentiostatic CLIP testing yields induction time data, which can be used as input to a calculation of germination rate. Initial data indicate that a one-to-one correlation exists between electrochemical transients and observed pitting sites. The CLIP technique provides a consistent means of gathering quantitative potential and current transients associated with localized oxide breakdown.

The Chemical Waste Landfill (CWL) at Sandia National Laboratories/New Mexico (SNL/NM) is a 1.9-acre disposal site that was used for the disposal of chemical wastes generated by many of SNL/NM research laboratories from 1962 until 1985. These laboratories were primarily involved in the design, research and development of non-nuclear components of nuclear weapons and the waste generated by these labs included small quantities of a wide assortment of chemical products. A Resource Conservation and Recovery Act (RCRA) Closure Plan for the Chemical Waste Landfill was approved by the New Mexico Environment Department (NMED) in 1992. Subsequent site characterization activities identified the presence of significant amounts of chromium in the soil as far as 80 feet below ground surface (fbgs) and the delineation of a solvent plume in the vadose zone that extends to groundwater approximately 500 fbgs. Trichloroethylene (TCE) was detected in some groundwater samples at concentrations slightly above the drinking water limit of 5 parts per billion. In 1997 an active vapor extraction system reduced the size of the TCE vapor plume and for the last six quarterly sampling events groundwater samples have not detected TCE above the drinking water standard. A source term removal, being conducted as a Voluntary Corrective Measure (VCM), began in September 1998 and is expected to take up to two years. Four distinct disposal areas were identified from historical data and the contents of disposal pits and trenches in these areas, in addition to much of the highly contaminated soil surrounding the disposal cells, are currently being excavated. Buried waste and debris are expected to extend to a depth of 12 to 15 fbgs. Excavation will focus on the removal of buried debris and contaminated soil in a sequential, area by area manner and will proceed to whatever depth is required in order to remove all pit contents. Up to 50,000 cubic yards of soil and debris will be removed and managed during the excavation of the CWL. As part of the excavation process, soil is being separated from the buried debris using a 2-inch mechanical screen. After separation from the soil, debris items are further-segregated by matrix into the following categories: wood, scrap metal, concrete/aggregates, resins, compatible debris, intact chemical containers, radioactive and mixed waste, and high hazard items. One of the greatest sources of hazards throughout the excavation process is the removal of numerous intact chemical containers with unknown contents. A large portion of the excavated soil is contaminated with metals and/or solvents, Polychlorinated biphenyls (PCBs) are also known to be present. Most of the contaminated soils being excavated will be taken to the nearby Corrective Action Management Unit (CAMU) for treatment and management while a majority of the containers will be taken to the Hazardous Waste Management Facility or the Radioactive and Mixed Waste Management Facility for proper treatment and/or disposal at permitted offsite facilities.

A cryogenic, {beta}-layered NIF ignition capsule with a beryllium ablator that employs a BeO dopant (2% O) for opacity control is described. The design has an optimized yield of 12 MJ and uses a ''reduced drive'' hohlraum temperature pulse shape that peaks at {approx}250 eV. Shock timing sensitivity calculations have been performed for this capsule design. Individual uncertainties of (1) {approx}200 ps in the timing of the ''footpulse; (2) {approx}5% in the x-ray flux of the foot pulse and first step; (3) {approx}10% in the ablator EOS; or (4) {approx} 5 {micro}m in the DT ice layer thickness each have a significant impact on thermonuclear yield. Combined uncertainties have greater impact than isolated, individual issues. For example, a combination of uncertainties of: 200 ps in the foot + 2 eV in the foot + 5 pm in the DT thickness results in a calculation that produces only {approx}1% of the original design yield. A second, more speculative, capsule concept utilizing a liquid DT ablator is also discussed. This design produces a 5 MJ yield in a 250 eV peak drive calculation.

Pulsed power is a robust and inexpensive technology for obtaining high powers. Considerable progress has been made on developing light ion beams as a means of transporting this power to inertial fusion capsules. However, further progress is hampered by the lack of an adequate ion source. Alternatively, z-pinches can efficiently convert pulsed power into thermal radiation, which can be used to drive an inertial fusion capsule. However, a z-pinch driven fusion explosion will destroy a portion of the transmission line that delivers the electrical power to the z-pinch. They investigate several options for providing standoff for z-pinch driven fusion. Recyclable Transmission Lines (RTLs) appear to be the most promising approach.

This paper reports on significant advances in electrothermal bent beam actuators. Designs for long throw linear and rotary actuators are described. Silicon p++ devices showed 20--30 {mu}m displacements with 150 {micro}N loads at actuation levels of 6--8 V, and 250--300 mW. An electroplated version provided 15 {mu}m displacements at 0.8 V and 450 mW. Inchworm type devices are reported that had linear displacements of 100 {micro}m with 200 {micro}N loads. Refinements in the modeling to account for non-linear thermal expansion coefficients and buckling are also reported.

Controlled impact methodology has been used on a powdergun to obtain dynamic behavior properties of Tributyl Phosphate (TBP). A novel test methodology is used to provide extremely accurate equation of state data of the liquid. A thin aluminum plate used for confining the liquid also serves as a diagnostic to provide reshock states and subsequent release adiabats from the reshocked state. Polar polymer, polyvinylidene fluoride (PVDF) gauges and velocity interferometer system for any reflector (VISAR) provided redundant and precise data of temporal resolution to five nanoseconds and shock velocity measurements of better than 1%. The design and test methodologies are presented in this paper.

We report a novel sol-gel dip-coating process to form dual-layer microporous silica membranes with improved membrane performance and reproducibility. First, we deposit a surfactant-templated silica (STS) intermediate layer on top of a commercial {gamma}-alumina support both to improve its ''surface finish'' and to prevent a subsequently deposited microporous overlayer from penetrating into the support. Second, membranes are processed under clean room conditions to avoid dust contamination and, third, membranes are vacuum-calcined to promote further pore shrinkage and impart surface hydrophobicity. The resulting asymmetric membrane exhibits a gradual change in pore diameter from 50{angstrom} ({gamma}-alumina support layer) to 10-12{angstrom} (STS intermediate layer), and then to 3-4{angstrom} (30nm thick, ultramicroporous silica top-layer). Compared to a single-layer process using only the microporous overlayer, the dual-layer process improves both flux and selectivity. For the industrially important problem of natural gas purification, the combined CO{sub 2} flux [(3{approx} 0.5) x 10{sup {minus}4} cm{sup 3}(STP)/(s{center_dot}cm{sup 2}{center_dot}cm-Hg)] and CO{sub 2}/CH{sub 4} separation factors [200{approx}600] are superior to all previously reported values for separation of a 50/50 (v/v) CO{sub 2}/CH{sub 4} gas mixture. In addition, the membrane selectively separated hydrogen from a simulated reformate from partial oxidation of methanol as evidenced by a high concentration of hydrogen recovery.

{sup 13}C-enriched polyethylene was subjected to {gamma}-irradiation in the presence of air at 25 and 80 C for total doses ranging from 71 to 355 kGy. Significant quantities of hydroperoxides were detected in the 25 C irradiated sample by {sup 13}C magic angle spinning NMR spectroscopy. This method of detection was performed on the solid polymer and required no chemical derivatization or addition of solvent. The chemical stability and subsequent products of the hydroperoxide species were studied by annealing the irradiated samples in air at temperatures ranging from 22 to 110 C. A time-temperature superposition analysis provided an activation energy of 108 kJ/mol for the hydroperoxide decomposition process. The primary products of hydroperoxide decomposition were ketones and secondary alcohols with lesser amounts of acids and esters. EPR measurements suggest that the reactive hydroperoxide species reside in the amorphous phase of polyethylene, consistent with degradation occurring in the amorphous phase.

Structure within thin epoxy films is investigated by neutron reflectivity (NR) as a function of resin/cross-linker composition and cure temperature. Variation in the cross-link density normal to the substrate surface is examined by swelling the films with the good solvent d-nitrobenzene (d-NB). The principal observation is a large excess of d-NB near the air surface. This is not a wetting layer, but rather indicates a lower cross-link density in the near-surface region. This effect is due to preferential segregation of the cross-linker to the air surface, driven by the lower surface tension of the cross-linker relative to the epoxide oligomers. The magnitude of the effect is a function of composition and cure temperature. Exclusion of d-NB from the region immediately adjacent to the substrate surface is also observed, possibly indicating a tightly bound layer of epoxy. Regarding swelling in the bulk of the films, the behavior is nonsymmetric with departure from the stoichiometric ratio. The films deficient in curing agent show greater equilibrium swelling and faster swelling kinetics than the films with an excess of curing agent.

Waveguiding by total internal reflection is demonstrated within AlxGa1-xAs semiconductor heterostructures which have been fully oxidized in water vapor at ∼490°C. Refractive index, mode propagation constant, propagation loss (≤ 3 cm-1) at λ0 = 1.3 and 1.55 μm, secondary ion mass spectrometry depth profile, and Fourier transform infrared transmission spectra measurements are presented to characterize a multimode single-heterostructure oxide waveguide. An index contrast of Δn = 0.06 is observed between oxidized x = 0.4 and x = 0.8 AlxGa1-xAs oxide layers. Absorption loss at 1.55 μm is observed due to OH groups. Near-field images are presented showing waveguiding in a single-mode oxide double heterostructure. © 1999 American Institute of Physics.

The concept of building extremely small satellites which, either independently or as a collective, can perform missions which are comparable to their much larger cousins, has fascinated scientists and engineers for several years now. In addition to the now commonplace microelectronic integrated circuits, the more recent advent of technologies such as photonic integrated circuits (PIC's) and micro-electromechanical systems (MEMS) have placed such a goal within their grasp. Key to the acceptance of this technology will be the ability to manufacture these very small satellites in quantity without sacrificing their performance or versatility. In support of its nuclear treaty verification, proliferation monitoring and other remote sensing missions, Sandia National laboratories has had a 35-year history of providing highly capable systems, densely packaged for unintrusive piggyback missions on government satellites. As monitoring requirements have become more challenging and remote sensing technologies become more sophisticated, packaging greater capability into these systems has become a requirement. Likewise, dwindling budgets are pushing satellite programs toward smaller and smaller platforms, reinforcing the need for smaller, cheaper satellite systems. In the next step of its miniaturization plan, Sandia has begun development of technologies for a highly integrated miniature satellite. The focus of this development is to achieve nanosat or smaller dimensions while maintaining significant capability utilizing semiconductor wafer-level integration and, at the same time promoting affordability through modular generic construction.

A technique has been developed for producing calibrated metal hydride films for use in the measurement of high-energy (5--15 MeV) particle reaction cross sections for hydrogen and helium isotopes on hydrogen isotopes. Absolute concentrations of various hydrogen isotopes in the film is expected to be determined to better than {+-}2% leading to the capacity of accurately measuring various reaction cross sections. Hydrogen isotope concentrations from near 100% to 5% can be made accurately and reproducibly. This is accomplished with the use of high accuracy pressure measurements coupled with high accuracy mass spectrometric measurements of each constituent partial pressure of the gas mixture during loading of the metal occluder films. Various techniques are used to verify the amount of metal present as well as the amount of hydrogen isotopes; high energy ion scattering analysis, PV measurements before, during and after loading, and thermal desorption/mass spectrometry measurements. The most appropriate metal to use for the occluder film appears to be titanium but other occluder metals are also being considered. Calibrated gas ratio samples, previously prepared, are used for the loading gas. Deviations from this calibrated gas ratio are measured using mass spectrometry during and after the loading process thereby determining the loading of the various hydrogen isotopes. These techniques are discussed and pertinent issues presented.

Many aerospace structures must survive severe high frequency, hypersonic, random vibration during their flights. The random vibrations are generated by the turbulent boundary layer developed along the exterior of the structures during flight. These environments have not been simulated very well in the past using a fixed-based, single exciter input with an upper frequency range of 2 kHz. This study investigates the possibility of using acoustic ardor independently controlled multiple exciters to more accurately simulate hypersonic flight vibration. The test configuration, equipment, and methodology are described. Comparisons with actual flight measurements and previous single exciter simulations are also presented.

The optical gain spectra for compressive-strained and lattice-matched GaInNAs/GaAs quantum wells are computed using a microscopic laser theory. From these spectra, the peak gain and carrier radiative decay rate as functions of carrier density are determined. These dependences allow the study of lasing threshold current density for different GaInNAs/GaAs laser structures. © 1999 American Institute of Physics.

This study examines adhesion between silane-coated micromachined surfaces that are exposed to humid conditions. Our quantitative values for interfacial adhesion energies are determined from an in-situ optical measurement of deformations in partly-adhered cantilever beams. We coated micromachined cantilevers with either ODTS (C{sub 18}H{sub 37}SiCl{sub 3}) or FDTS (C{sub 8}F{sub 17}C{sub 2}H{sub 4}SiCl{sub 3}) with the objective of creating hydrophobic surfaces whose adhesion would be independent of humidity. In both cases, the adhesion energy is significantly lower than for uncoated, hydrophilic surfaces. For relative humidities (RH) less than 95% (ODTS) and 80% (FDTS) the adhesion energy was extremely low and constant. In fact, ODTS-coated beams exposed to saturated humidity conditions and long (48 hour) exposures showed only a factor of two increase in adhesion energy. Surprisingly, FDTS coated beams, which initially have a higher contact angle (115{degree}) with water than do ODTS coated beams (112{degree}), proved to be much more sensitive to humidity. The FDTS coated surfaces showed a factor of one hundred increase in adhesion energy after a seven hour exposure to 90% RH. Atomic force microscopy revealed agglomerated coating material after exposed to high RH, suggesting a redistribution of the monolayer film. This agglomeration was more prominent for FDTS than ODTS. These findings suggest a new mechanism for uptake of moisture under high humidity conditions. At high humidities, the silane coatings can reconfigure from a surface to a bulk phase leaving behind locally hydrophilic sites which increase the average measured adhesion energy. In order for the adhesion increase to be observed, a significant fraction of the monolayer must be converted from the surface to the bulk phase.

The connection is made between the normal-coordinate structural decomposition (NSD) and the vibronic molecular states and spectra of porphyrins. NSD is a procedure that provides a description of the distortion of a porphyrin from a D{sub 4h} symmetric reference structure in terms of equivalent displacements along the normal coordinates. Expressions for the optical absorption spectra with vibrational structure are developed with these NSD-determined deformations as parameters, and the expressions are applied to the UV-visible absorption spectra porphyrins.

We show that for general input sets linear feedback shift registers (LFSRS) do not provide compression comparable to current, standard algorithms, at least not on the current, standard input files. Rather, LFSRS provide performance on a par with simple, run-length encoding schemes. We exercised three different ways of using LFSRS on the Canterbury, Canterbury Oarge set, the Calgory Corpora, and on three, large graphics files of our own.

Wind-energy researchers at Sandia National Laboratories have developed a new, light-weight, modular data acquisition system capable of acquiring long-term, continuous, multi-channel time-series data from operating wind-turbines. New hardware features have been added to this system to make it more flexible and permit programming via telemetry. User-friendly Windows-based software has been developed for programming the hardware and acquiring, storing, analyzing, and archiving the data. This paper briefly reviews the major components of the system, summarizes the recent hardware enhancements and operating experiences, and discusses the features and capabilities of the software programs that have been developed.

Typical laboratory testing of Polycrystalline Diamond Compact (PDC) bits is performed on relatively rigid setups. Even in hard rock, PDC bits exhibit reasonable life using such testing schemes. Unfortunately, field experience indicates otherwise. In this paper, the authors show that introducing compliance in testing setups provides better simulation of actual field conditions. Using such a scheme, they show that chatter can be severe even in softer rock, such as sandstone, and very destructive to the cutters in hard rock, such as sierra white granite.

Al{sub 2}Cu thin films ({approximately}382 nm) are fabricated by melting and resolidifying Al/Cu bilayers in the presence of a {approximately}3 nm Al{sub 2}O{sub 3} passivating layer. X-ray Photoelectron Spectroscopy (XPS) measures a 1.0 eV shift of the Cu2p{sub 3/2} peak and a 1.6 eV shift of the valence band relative to metallic Cu upon Al{sub 2}Cu formation. Scanning Electron Microscopy (SEM) and Electron Back-Scattered Diffraction (EBSD) show that the Al{sub 2}Cu film is composed of 30--70 {mu}m wide and 10--25 mm long cellular grains with (110) orientation. The atomic composition of the film as estimated by Energy Dispersive Spectroscopy (EDS) is 67{+-}2% Al and 33{+-}2% Cu. XPS scans of Al{sub 2}O{sub 3}/Al{sub 2}Cu taken before and after air exposure indicate that the upper Al{sub 2}Cu layers undergo further oxidation to Al{sub 2}O{sub 3} even in the presence of {approximately}5 nm Al{sub 2}O{sub 3}. The majority of Cu produced from oxidation is believed to migrate below the Al{sub 2}O{sub 3} layers, based upon the lack of evidence for metallic Cu in the XPS scans. In contrast to Al/Cu passivated with Al{sub 2}O{sub 3}, melting/resolidifying the Al/Cu bilayer without Al{sub 2}O{sub 3} results in phase-segregated dendritic film growth.

On rare occasions, the coining of a new term brings new ideas to a field by virtue of a shift in viewpoint. A recent example is complexity, which collected together, from a core of deep results in mathematics and hydrodynamics, a clan of fields whose kinship had been revealed by the new term itself. More often such appellations merely follow fashionable trends. So it took courage on the part of the founders of SUPERMAT to promote their vision. Marcel Ausloos (Universite de Liege, Belgium) and Gilbert Vacquier (Universite de Marseille, France) have shown us a way to resonate as a new chord in materials science. As the first conference on supermaterials, SUPERMAT and its companion SMART 99 have begun to reveal new branches of research from the established pathways explored in superconductivity. At the conclusion of SUPERMAT in Giens, France, the participants were as energized by the exciting science that had been covered during the week as they were impressed by the French food, wine, scenery and hospitality. If the definition of a supermaterial is not obvious now-after the conference-it was certainly not obvious before it. Nevertheless, the conferees were drawn inexorably together by the conference theme. Perhaps it is not appropriate to try to understand this self organization, which surely is even more complex than the self organization of electrons in a high temperature superconductor, the theory for which still eludes us after 13 years! A clue to the working definition of a supermaterial can be derived empirically from the topics that were discussed at SUPERMAT and SMART 99. In addition to superconductors, they heard about magnetic effects of many kinds, including giant and even colossal ones that presumably trump super ones, organic conductors, photoconductors, and even four-hundred-year-old Japanese ceramics. Topics discussed were synthesis, processing, characterization and theory, and applications.

Typical Laboratory testing of Polycrystalline Diamond Compact (PDC) bits is performed on relatively rigid setups. Even in hard rock, PDC bits exhibit reasonable life using such testing schemes. Unfortunately, field experience indicates otherwise. In this paper, they show that introducing compliance in testing setups, provides better simulation of actual field conditions. Using such a scheme, they show that chatter can be severe even in softer rock, such as sandstone, and very destructive to the cutters in hard rock, such as sierra white granite.

Peak x-ray powers as high as 280 {+-} 40 TW have been generated from the implosion of tungsten wire arrays on the Z Accelerator at Sandia National Laboratories. The high x-ray powers radiated by these z-pinches provide an attractive new driver option for high yield inertial confinement fusion (ICF). The high x-ray powers appear to be a result of using a large number of wires in the array which decreases the perturbation seed to the magnetic Rayleigh-Taylor (MRT) instability and diminishes other 3-D effects. Simulations to confirm this hypothesis require a 3-D MHD code capability, and associated databases, to follow the evolution of the wires from cold solid through melt, vaporization, ionization, and finally to dense imploded plasma. Strong coupling plays a role in this process, the importance of which depends on the wire material and the current time history of the pulsed power driver. Strong coupling regimes are involved in the plasmas in the convolute and transmission line of the powerflow system. Strong coupling can also play a role in the physics of the z-pinch-driven high yield ICF target. Finally, strong coupling can occur in certain z-pinch-driven application experiments.

This work combines focused ion beam sputtering and ultra-precision machining as a first step in fabricating microstructure in metals and alloys. Specifically, {approx}25{micro}m diameter micro-end mills are made from cobalt M42 high-speed steel and C2 micrograin tungsten carbide tool blanks by ion beam sputtering. A 20 keV focused gallium beam defines tool cutting edges having radii of curvature < 0.1{micro}m. Micro-end mills having 2, 4 and 5 cutting edges successfully machine small trenches in 6061-T4 aluminum, brass, 4340 steel and polymethyl methacrylate. Machined trench widths are approximately equal to the tool diameters and surface roughnesses (rms) are {approx}150 nm or less. Microtools are robust and operate for more than 6 hours without fracture. Results from ultra-precision machining aluminum at feed rates as high as 50 mm/minute are included.

This paper presents techniques for fabricating microscopic, nonplanar features in a variety of materials. Micro-grooving and micro-threading tools having cutting dimensions of 10-30{micro}m are made by focused ion beam sputtering and used in ultra-precision machining. Tool fabrication involves directing a 20 keV gallium beam at polished cylindrical punches made of cobalt M42 high-speed steel or C2 tungsten carbide. This creates cutting edges having radii of curvature less than 0.4 {micro}m, and rake features similar to conventional lathe tools. Clearance for minimizing frictional drag of a tool results from the sputter yield dependence on ion herd target incidence angle. Numerically controlled, ultra-precision machining with micro-grooving tools results in a close matching between tool width and feature size. Microtools controllably machine 13 {micro}m wide, 4 {micro}m deep, helical grooves in polymethyl methacrylate and 6061-T6 Al cylindrical substrates. Micro-grooving tools also fabricate sinusoidal waveform features in polished metal substrates.

Recent success on the Saturn and Z accelerators at Sandia National Laboratories have demonstrated the ability to scale z-pinch parameters to increasingly larger current pulsed power facilities. Next generation machines will require even larger currents (>20 MA), placing further demands on pulsed power technology. To this end, experiments have been carried out on Saturn operating in a long pulse mode, investigating the potential of lower voltages and longer implosion times while still maintaining pinch fidelity. High wire number, 25 mm diameter tungsten arrays were imploded with implosion times ranging from 130 to 240 ns. The results were comparable to those observed in the Saturn short pulse mode, with risetimes on the order of 4.5 to 6.5 ns. Experimental data will be presented, along with two dimensional radiation magnetohydrodynamic simulations used to explain and reproduce the experiment.

Motivated by the problem of determining stress distributions in granular materials, we study the effect of finite transport correlation times on the propagation of nonlinear wavefronts in reaction diffusion systems. We obtain new results such as the possibility of spatial oscillations in the wavefront shape for certain values of the system parameters and high enough wavefront speeds. We also generalize earlier known results concerning the minimum wavefront speed and shape-speed relationships stemming from the finiteness of the correlation times. Analytic investigations are made possible by a piece-wise linear representation of the nonlinearity.

On Nov. 1, 1999, Sandia National Laboratories celebrates its 50th birthday. Although Sandia has its roots in the World War II-era Manhattan Project, Sandia began operating as a separate nuclear weapons engineering laboratory under the management of AT&T on Nov. 1, 1949. Today the lab employs more than 7,000 people at its two sites in Albuquerque and Livermore, California, and has research and development missions in national security, energy and environmental technologies, and U.S. economic competitiveness. Lockheed Martin Corporation operates Sandia for the US. Department of Energy.

The authors have demonstrated a functional Pnp heterojunction bipolar transistor (HBT) using InGaAsN. The metalorganic vapor phase epitaxy (MOCVD) grown Al{sub 0.3}Ga{sub 0.7}As/In{sub 0.03}Ga{sub 0.97}As{sub 0.99}N{sub 0.01} HBT takes advantage of the narrower bandgap energy (E{sub g} = 1.25eV) of In{sub 0.03}Ga{sub 0.97}As{sub 0.99}N{sub 0.01}, which is lattice matched to GaAs. Compared with the Al{sub 0.3}Ga{sub 0.7}As/GaAs material system, the Al{sub 0.3}Ga{sub 0.7}As/In{sub 0.03}Ga{sub 0.97}As{sub 0.99}N{sub 0.01} material system has a larger conduction band offset, while the valence band offset remains comparable. This characteristic band alignment is very suitable for Pnp HBT applications. The device's peak current gain is 23 and it has a turn on voltage of 0.77V, which is 0.25V lower than in a comparable Pnp Al{sub 0.3}Ga{sub 0.7}As/GaAs HBT.

Plasma-induced etch damage can degrade the electrical and optical performance of III-V nitride electronic and photonic devices. We have investigated the etch-induced damage of an Inductively Coupled Plasma (ICP) etch system on the electrical performance of mesa-isolated GaN pn-junction diodes. GaN p-i-n mesa diodes were formed by Cl{sub 2}/BCl{sub 3}/Ar ICP etching under different plasma conditions. The reverse leakage current in the mesa diodes showed a strong relationship to chamber pressure, ion energy, and plasma flux. Plasma induced damage was minimized at moderate flux conditions ({le} 500 W), pressures {ge}2 mTorr, and at ion energies below approximately -275 V.

Numerous sites in the United States and around the world are contaminated with depleted uranium (DU) in various forms. A prevalent form is fragmented DU originating from various scientific tests involving high explosives and DU during weapon-development programs, at firing practice ranges, or in war theaters where DU was used in armor-piercing projectiles. The contamination at these sites is typically very heterogeneous, with discrete, visually identifiable DU fragments mixed with native soil. The bulk-averaged DU activity is quite low, whereas DU fragments, which are distinct from the soil matrix, have much higher specific activity. DU is best known as a dark metal that is nearly twice as dense as lead, but DU in the environment readily weathers (oxidizes) to a distinctive bright yellow color that is quite visible. While the specific activity (amount of radioactivity per mass of soil) of DU is relatively low and presents only a minor radiological hazard, the fact that DU is radioactive and visually identifiable makes it desirable to remove the DU ''contamination'' from the environment. The typical approach to conducting this DU remediation is to use radiation-detection instruments to identify the contaminant and then to separate it from the adjacent soil, packaging it for disposal as radioactive waste. This process can be performed manually or by specialized, automated equipment. Alternatively, a more cost-effective approach might be simple mechanical or gravimetric separation of the DU fragments from the host soil matrix. At SNL/NM, both the automated and simple mechanical approaches have recently been employed. This paper discusses the pros/cons of the two approaches.

This paper discusses the development and application of process knowledge (PK) to the characterization of radioactive wastes generated during the excavation of buried materials at the Sandia National Laboratories/New Mexico (SNL/NM) Classified Waste Landfill (CWLF). The CWLF, located in SNL/NM Technical Area II, is a 1.5-acre site that received nuclear weapon components and related materials from about 1950 through 1987. These materials were used in the development and testing of nuclear weapon designs. The CWLF is being remediated by the SNL/NM Environmental Restoration (ER) Project pursuant to regulations of the New Mexico Environment Department. A goal of the CWLF project is to maximize the amount of excavated materials that can be demilitarized and recycled. However, some of these materials are radioactively contaminated and, if they cannot be decontaminated, are destined to require disposal as radioactive waste. Five major radioactive waste streams have been designated on the CWLF project, including: unclassified soft radioactive waste--consists of soft, compatible trash such as paper, plastic, and plywood; unclassified solid radioactive waste--includes scrap metal, other unclassified hardware items, and soil; unclassified mixed waste--contains the same materials as unclassified soft or solid radioactive waste, but also contains one or more Resource Conservation and Recovery Act (RCRA) constituents; classified radioactive waste--consists of classified artifacts, usually weapons components, that contain only radioactive contaminants; and classified mixed waste--comprises radioactive classified material that also contains RCRA constituents. These waste streams contain a variety of radionuclides that exist both as surface contamination and as sealed sources. To characterize these wastes, the CWLF project's waste management team is relying on data obtained from direct measurement of radionuclide activity content to the maximum extent possible and, in cases where direct measurement is not technically feasible, from accumulated PK of the excavated materials.

Since the mid-1980's, there have been a number of commercially available parallel computers with hundreds or thousands of processors. These machines have provided a new capability to the scientific community, and they been used successfully by scientists and engineers although with varying degrees of success. One of the reasons for the limited success is the difficulty, or perceived difficulty, in developing code for these machines. In this paper we discuss many of the issues and challenges in developing scalable hardware, system software and algorithms for machines comprising hundreds or thousands of processors.

The history of high consequence accidents is rich with events wherein the actions, or inaction, of humans was critical to the sequence of events preceding the accident. Moreover, it has been reported that human error may contribute to 80% of accidents, if not more (dougherty and Fragola, 1988). Within the safety community, this reality is widely recognized and there is a substantially greater awareness of the human contribution to system safety today than has ever existed in the past. Despite these facts, and some measurable reduction in accident rates, when accidents do occur, there is a common lament. No matter how hard we try, we continue to have accidents. Accompanying this lament, there is often bewilderment expressed in statements such as, ''There's no explanation for why he/she did what they did''. It is believed that these statements are a symptom of inadequacies in how they think about humans and their role within technological systems. In particular, while there has never been a greater awareness of human factors, conceptual models of human involvement in engineered systems are often incomplete and in some cases, inaccurate.

We estimate the total in-vessel deuterium retention in Alcator C-Mod from a run campaign of about 1090 plasmas. The estimate is based on measurements of deuterium retained on 22 molybdenum tiles from the inner wall and divertor. The areal density of deuterium on the tiles was measured by nuclear reaction analysis. From these data, the in-vessel deuterium inventory is estimated to be about 0.1 gram, assuming the deuterium coverage is toroidally symmetric. Most of the retained deuterium is on the walls of the main plasma chamber, only about 2.5% of the deuterium is in the divertor. The D coverage is consistent with a layer saturated by implantation with ions and charge-exchange neutrals from the plasma. This contrasts with tokamaks with carbon plasma-facing components (PFC's) where long-term retention of tritium and deuterium is large and mainly in the divertor due to codeposition with carbon eroded by the plasma. The low deuterium retention in the C-Mod divertor is mainly due to the absence of carbon PFC's in C-Mod and the low erosion rate of Mo.

This paper reviews the technology options for a fission-based electric propulsion system for interstellar precursor missions. To achieve a total {Delta}V of more than 100 km/s in less than a decade of thrusting with an electric propulsion system of 10,000s Isp requires a specific mass for the power system of less than 35 kg/kWe. Three possible configurations are described: (1) a UZrH-fueled,NaK-cooled reactor with a steam Rankine conversion system,(2) a UN-fueled gas-cooled reactor with a recuperated Brayton conversion system, and (3) a UN-fueled heat pipe-cooled reactor with a recuperated Brayton conversion system. All three of these systems have the potential to meet the specific mass requirements for interstellar precursor missions in the near term. Advanced versions of a fission-based electric propulsion system might travel as much as several light years in 200 years.

Kuiper Belt Objects (KBOs) are a recently-discovered set of solar system bodies which lie at about the orbit of Pluto (40 AU) out to about 100 astronomical units (AU). There are estimated to be about 100,000 KBOS with a diameter greater than 100 km. KBOS are postulated to be composed of the pristine material which formed our solar system and may even have organic materials in them. A detailed study of KBO size, orbit distribution, structure, and surface composition could shed light on the origins of the solar system and perhaps even on the origin of life in our solar system. A rendezvous mission including a lander would be needed to perform chemical analysis of the surface and sub-surface composition of KBOS. These requirements set the size of the science probe at around a ton. Mission analyses show that a fission-powered system with an electric thruster could rendezvous at 40 AU in about 13.0 years with a total {Delta}V of 46 krnk. It would deliver a 1000-kg science payload while providing ample onboard power for relaying data back to earth. The launch mass of the entire system (power, thrusters, propellant, navigation, communication, structure, science payload, etc.) would be 7984 kg if it were placed into an earth-escape trajectory (C=O). Alternatively, the system could be placed into a 700-km earth orbit with more propellant,yielding a total mass in LEO of 8618 kg, and then spiral out of earth orbit to arrive at the KBO in 14.3 years. To achieve this performance, a fission power system with 100 kW of electrical power and a total mass (reactor, shield, conversion, and radiator) of about 2350 kg. Three possible configurations are proposed: (1) a UZrH-fueled, NaK-cooled reactor with a steam Rankine conversion system, (2) a UN-fueled gas-cooled reactor with a recuperated Brayton conversion system, and (3) a UN-fueled heatpipe-cooled reactor with a recuperated Brayton conversion system. (Boiling and condensation in the Rankine system is a technical risk at present.) All three of these systems have the potential to meet the weight requirement for the trip and to be built in the near term.

The paper describes a methodology for designing a web site for human factor engineers that is applicable for designing a web site for a group of people. Many web pages on the World Wide Web are not organized in a format that allows a user to efficiently find information. Often the information and hypertext links on web pages are not organized into intuitive groups. Intuition implies that a person is able to use their knowledge of a paradigm to solve a problem. Intuitive groups are categories that allow web page users to find information by using their intuition or mental models of categories. In order to improve the human factors engineers efficiency for finding information on the World Wide Web, research was performed to develop a web site that serves as a tool for finding information effectively. The paper describes a methodology for designing a web site for a group of people who perform similar task in an organization.

We report spurious-free dynamic-range measurements of 850-nm vertical-cavity surface-emitting lasers in short multimode links for radio frequency communication. For a 27-m fiber link, the dynamic range at optimal bias was greater than 95 dB·Hz2/3 for modulation frequencies between 1 and 5.5 GHz, which exceeds the requirements for antenna remoting in microcellular networks. In a free-space link, we have measured the highest dynamic range in an 850-nm vertical-cavity surface-emitting laser of 113 dB·Hz2/3 at 900 MHz. We have also investigated the effects of modal noise and differential mode delay on the dynamic range for longer lengths of fiber.

Over the last decade, multi-axis machine tools and robots based on parallel kinematic mechanisms (PKMs) have been developed and marketed worldwide. Positional accuracy in these machines is controlled by accurate knowledge of the kinematic parameters which consists of the joint center locations and distances between joint pairs. Since these machines tend to be rather large in size, the kinematic parameters (joint center locations, and initial strut lengths) are difficult to determine when these machines are in their fully assembled state. Work recently completed by the University of Florida and Sandia National Laboratories has yielded a method for determining all of the kinematic parameters of an assembled parallel kinematic device. This paper contains a brief synopsis of the calibration method created, an error budget, an uncertainty analysis for the recovered kinematic parameters and the propagation of these uncertainties to the tool tip.

Defects in silicon-on-insulator (SOI) buried oxides are normally considered deleterious to device operation. Similarly, exposing devices to hydrogen at elevated temperatures often can lead to radiation-induced charge buildup. However, in this work, we take advantage of as-processed defects in SOI buried oxides and moderate temperature hydrogen anneals to generate mobile protons in the buried oxide to form the basis of a ''protonic'' nonvolatile memory. Capacitors and fully-processed transistors were fabricated. SOI buried oxides are exposed to hydrogen at moderate temperatures using a variety of anneal conditions to optimize the density of mobile protons. A fast ramp cool down anneal was found to yield the maximum number of mobile protons. Unfortunately, we were unable to obtain uniform mobile proton concentrations across a wafer. Capacitors were irradiated to investigate the potential use of protonic memories for space and weapon applications. Irradiating under a negative top-gate bias or with no applied bias was observed to cause little degradation in the number of mobile protons. However, irradiating to a total dose of 100 krad(SiO{sub 2}) under a positive top-gate bias caused approximately a 100% reduction in the number of mobile protons. Cycling capacitors up to 10{sup 4} cycles had little effect on the switching characteristics. No change in the retention characteristics were observed for times up to 3 x 10{sup 4} s for capacitors stored unbiased at 200 C. These results show the proof-of-concept for a protonic nonvolatile memory. Two memory architectures are proposed for a protonic non-destructive, nonvolatile memory.

Salinas provides a massively parallel implementation of structural dynamics finite element analysis, required for high fidelity, validated models used in modal, vibration, static and shock analysis of weapons systems. This document provides a users guide to the input for Salinas. Details of input specifications for the different solution types, output options, element types and parameters are included. The appendices contain detailed examples, and instructions for running the software on parallel platforms.

The desire to provide a measure of computer network availability at Sandia National Laboratories has existed for along time. Several attempts were made to build this measure by accurately recording network failures, identifying the type of network element involved, the root cause of the problem, and the time to repair the fault. Recognizing the limitations of available methods, it became obvious that another approach of determining network availability had to be defined. The chosen concept involved the periodic sampling of network services and applications from various network locations. A measure of ''network'' availability was then calculated based on the ratio of polling success to failure. The effort required to gather the information and produce a useful metric is not prohibitive and the information gained has verified long held feelings regarding network performance with real data.

This document describes the implementation of periodic boundary conditions in the ALEGRA finite element code. ALEGRA is an arbitrary Lagrangian-Eulerian multi-physics code with both explicit and implicit numerical algorithms. The periodic boundary implementation requires a consistent set of boundary input sets which are used to describe virtual periodic regions. The implementation is noninvasive to the majority of the ALEGRA coding and is based on the distributed memory parallel framework in ALEGRA. The technique involves extending the ghost element concept for interprocessor boundary communications in ALEGRA to additionally support on- and off-processor periodic boundary communications. The user interface, algorithmic details and sample computations are given.

The end of the Cold War finds the international community no longer divided into two opposing blocks. The concerns that the community now faces are becoming more fluid, less focused, and, in many ways, much less predictable. Issues of religion, ethnicity, and nationalism; the possible proliferation of Weapons of Mass Destruction; and the diffusion of technology and information processing throughout the world community have greatly changed the international security landscape in the last decade. Although our challenges appear formidable, the United Nations, State Parties, nongovernmental organizations, and the arms control community are moving to address and lessen these concerns through both formal and informal efforts. Many of the multilateral agreements (e.g., NPT, BWC, CWC, CTBT, MTCR), as well as the bilateral efforts that are taking place between Washington and Moscow employ confidence-building and transparency measures. These measures along with on-site inspection and other verification procedures lessen suspicion and distrust and reduce uncertainty, thus enhancing stability, confidence, and cooperation.

In October 1996, an interdisciplinary team began a three-year LDRD project to study the plasma processes of reactive ion etching and plasma-enhanced chemical vapor deposition on large-area silicon devices. The goal was to develop numerical models that could be used in a variety of applications for surface cleaning, selective etching, and thin-film deposition. Silicon solar cells were chosen as the experimental vehicle for this project because an innovative device design was identified that would benefit from immediate performance improvement using a combination of plasma etching and deposition processes. This report presents a summary of the technical accomplishments and conclusions of the team.

The System of Labs Direct Fabrication Technology program was intended to foster cooperation and development in a cooperative effort between Sandia National Labs, Idaho National Energy and Environment Lab and Oak Ridge National Lab. The goal of this program was to bring together LENS (Laser Engineered Net Shaping) from Sandia, INEEL's spray forming process and the alloy development expertise of ORNL. This program investigated the feasibility of combining the LENS and spray forming processes to exploit the best features of both approaches. Further, since both processes were thought to result in a rapidly solidified structure, the alloy design expertise of ORNL offered the opportunity for alloy design or processing options which could more fully utilize the unique capabilities of the processes.

In an attempt to automatically produce high-quality all-hex meshes, we investigated a mesh improvement strategy: given an initial poor-quality all-hex mesh, we iteratively changed the element connectivity, adding and deleting elements and nodes, and optimized the node positions. We found a set of hex reconnection primitives. We improved the optimization algorithms so they can untangle a negative-Jacobian mesh, even considering Jacobians on the boundary, and subsequently optimize the condition number of elements in an untangled mesh. However, even after applying both the primitives and optimization we were unable to produce high-quality meshes in certain regions. Our experiences suggest that many boundary configurations of quadrilaterals admit no hexahedral mesh with positive Jacobians, although we have no proof of this.

Predicting the behavior of ion channel proteins is important for understanding biological effects of drugs and toxins. These problems involve steady state transport of ions through very small (1-2 atoms wide) pores. FY99 LDRD funding was used to begin investigations of ion channel proteins using a molecular theory approach. Much of our efforts involved establishing the soundness of the approach by direct comparison with grand canonical molecular dynamics simulations of simple model systems. In addition, several dimensional ion channel models have been implemented to demonstrate the viability of the approach, The seed funding provided by this LDRD grant resulted in 50K of DOWOBER funds for FY99, an invitation to submit a full length 0(500K) proposal for consideration to DOWOBER, and start a larger LDRD effort in computational biophysics beginning in FY00.

Estimation of the potential radiological risks associated with highway transport of radioactive materials (RAM) requires input data describing population densities adjacent to all portions of the route to be traveled. Previously, aggregated risks for entire multi-state routes were adequately estimated from population data with low geographic resolution. Current demands for geographically-specific risk estimates require similar increases in resolution of population density adjacent to route segments. With the advent of commercial geographic information systems (GISs) and databases describing highways, U.S. Census Blocks, and other information that is geographically distributed, it became feasible to determine and tabulate population characteristics along transportation routes with 1-kilometer resolution. This report describes an automated method of collecting population data adjacent to route segments (for calculation of incident-free doses) based on a commercial GIS. It also describes a statistical method of resolving remaining resolution issues, and an adaptation of the automation method to collection of data on population under a hypothetical plume of contamination resulting from a potential transportation accident.

Polarimetry is the method of recording the state of polarization of light. Imaging polarimetry extends this method to recording the spatially resolved state of polarization within a scene. Imaging-polarimetry data have the potential to improve the detection of manmade objects in natural backgrounds. We have constructed a midwave infrared complete imaging polarimeter consisting of a fixed wire-grid polarizer and rotating form-birefringent retarder. The retardance and the orientation angles of the retarder were optimized to minimize the sensitivity of the instrument to noise in the measurements. The optimal retardance was found to be 132{degree} rather than the typical 90{degree}. The complete imaging polarimeter utilized a liquid-nitrogen cooled PtSi camera. The fixed wire-grid polarizer was located at the cold stop inside the camera dewar. The complete imaging polarimeter was operated in the 4.42-5 {micro}m spectral range. A series of imaging experiments was performed using as targets a surface of water, an automobile, and an aircraft. Further analysis of the polarization measurements revealed that in all three cases the magnitude of circular polarization was comparable to the noise in the calculated Stokes-vector components.

The decomposition of unconfined rigid polyurethane foam has been modeled by a kinetic bond-breaking scheme describing degradation of a primary polymer and formation of a thermally stable secondary polymer. The bond-breaking scheme is resolved using percolation theory to describe evolving polymer fragments. The polymer fragments vaporize according to individual vapor pressures. Kinetic parameters for the model were obtained from Thermal Gravimetric Analysis (TGA). The chemical structure of the foam was determined from the preparation techniques and ingredients used to synthesize the foam. Scale-up effects were investigated by simulating the response of an incident heat flux of 25 W/cm{sup 2} on a partially confined 8.8-cm diameter by 15-cm long right circular cylinder of foam which contained an encapsulated component. Predictions of center, midradial, and component temperatures, as well as regression of the foam surface, were in agreement with measurements using thermocouples and X-ray imaging.

Experience has shown that the analyses of marine transport of spent fuel in the Environmental Impact Statement (EIS) were conservative. It is anticipated that for most shipments. The external dose rate for the loaded transportation cask will be more in line with recent shipments. At the radiation levels associated with these shipments, we would not expect any personnel to exceed radiation exposure limits for the public. Package dose rates usually well below the regulatory limits and personnel work practices following ALARA principles are keeping human exposures to minimal levels. However, the potential for Mure shipments with external dose rates closer to the exclusive-use regulatory limit suggests that DOE should continue to provide a means to assure that individual crew members do not receive doses in excess of the public dose limits. As a minimum, the program will monitor cask dose rates and continue to implement administrative procedures that will maintain records of the dose rates associated with each shipment, the vessel used, and the crew list for the vessel. DOE will continue to include a clause in the contract for shipment of the foreign research reactor spent nuclear fuel requiring that the Mitigation Action Plan be followed.

As model validation techniques gain more acceptance and increase in power, the demands on the modal parameter extractions increase. The estimation accuracy, the number of modes desired, and the data reduction efficiency are required features. An algorithm known as SMAC (Synthesize Modes And Correlate), based on principles of modal filtering, has been in development for a few years. SMAC has now been extended in two main areas. First, it has now been automated. Second, it has been extended to fit complex modes as well as real modes. These extensions have enhanced the power of modal extraction so that, typically, the analyst needs to manually fit only 10 percent of the modes in the desired bandwidth, whereas the automated routines will fit 90 percent of the modes. SMAC could be successfully automated because it generally does not produce computational roots.

Direct metal deposition technologies produce complex, near net shape components from Computer Aided Design (CAD) solid models. Most of these techniques fabricate a component by melting powder in a laser weld pool, rastering the weld bead to form a layer, and additively constructing subsequent layers. This report will describe anew direct metal deposition process, known as WireFeed, whereby a small diameter wire is used instead of powder as the feed material to fabricate components. Currently, parts are being fabricated from stainless steel alloys. Microscopy studies show the WireFeed parts to be filly dense with fine microstructural features. Mechanical tests show stainless steel parts to have high strength values with retained ductility. A model was developed to simulate the microstructural evolution and coarsening during the WireFeed process. Simulations demonstrate the importance of knowing the temperature distribution during fabrication of a WireFeed part. The temperature distribution influences microstructural evolution and, therefore, must be controlled to tailor the microstructure for optimal performance.

Development of bug-free, high-surety, complex software is quite difficult using current tools. The brittle nature of the programming constructs in popular languages such as C/C++ is one root cause. Brittle commands force the designer to rigidly specify the minutiae of tasks, e.g. using ''for(index=0;index>total;index++)'', rather than specifying the goals or intent of the tasks, e.g. ''ensure that all relevant data elements have been examined''. Specification of task minutiae makes code hard to comprehend, which in turn encourages design errors/limitations and makes future modifications quite difficult. This report describes an LDRD project to seed the development of a surety computer language, for stand-alone computing environments, to be implemented using the swarm intelligence of autonomous agents. The long term vision of this project was to develop a language with the following surety capabilities: (1) Reliability -- Autonomous agents can appropriate y decide when to act and when a task is complete, provide a natural means for avoiding brittle task specifications, and can overcome many hardware glitches. (2) Safety, security -- Watchdog safety and security agents can monitor other agents to prevent unauthorized or dangerous actions. (3) An immune system -- The small chunks of agent code can have an encryption scheme to enable detection and elimination of unauthorized and corrupted agents. This report describes the progress achieved during this small 9 month project and describes lessons learned.

Current supercomputers use large parallel arrays of tightly coupled processors to achieve levels of performance far surpassing conventional vector supercomputers. Shock-wave physics codes have been developed for these new supercomputers at Sandia National Laboratories and elsewhere. These parallel codes run fast enough on many simulations to consider using them to study the effects of varying design parameters on the performance of models of conventional munitions and other complex systems. Such studies maybe directed by optimization software to improve the performance of the modeled system. Using a shaped-charge jet design as an archetypal test case and the CTH parallel shock-wave physics code controlled by the Dakota optimization software, we explored the use of automatic optimization tools to optimize the design for conventional munitions. We used a scheme in which a lower resolution computational mesh was used to identify candidate optimal solutions and then these were verified using a higher resolution mesh. We identified three optimal solutions for the model and a region of the design domain where the jet tip speed is nearly optimal, indicating the possibility of a robust design. Based on this study we identified some of the difficulties in using high-fidelity models with optimization software to develop improved designs. These include developing robust algorithms for the objective function and constraints and mitigating the effects of numerical noise in them. We conclude that optimization software running high-fidelity models of physical systems using parallel shock wave physics codes to find improved designs can be a valuable tool for designers. While current state of algorithm and software development does not permit routine, ''black box'' optimization of designs, the effort involved in using the existing tools may well be worth the improvement achieved in designs.

This report documents the use of the FITS routine, which provides automated fits of various analytical, commonly used probability models from input data. It is intended to complement the previously distributed FITTING routine documented in RMS Report 14 (Winterstein et al., 1994), which implements relatively complex four-moment distribution models whose parameters are fit with numerical optimization routines. Although these four-moment fits can be quite useful and faithful to the observed data, their complexity can make them difficult to automate within standard fitting algorithms. In contrast, FITS provides more robust (lower moment) fits of simpler, more conventional distribution forms. For each database of interest, the routine estimates the distribution of annual maximum response based on the data values and the duration, T, over which they were recorded. To focus on the upper tails of interest, the user can also supply an arbitrary lower-bound threshold, {chi}{sub low}, above which a shifted distribution model--exponential or Weibull--is fit.

Path integral Monte Carlo simulations and calculations were performed on molecular hydrogen liquids. The equation-of-state, internal energies, and vapor liquid phase diagrams from simulation were found to be in quantitative agreement with experiments. Analytical calculations were performed on,H2 liquids using integral equation methods to study the degree of localization of the hydrogen molecules. Very little self-trapping or localization was found as a function of temperature and density. Good qualitative agreement was found between the integral equation calculations and the quantum Monte Carlo simulations for the radius of gyration of the hydrogen molecules. Path integral simulations were also performed on molecular hydrogen on graphite surfaces, slit pores, and in carbon nanotubes. Significant quantum effects on the adsorption of hydrogen were observed.

Thermionic energy conversion in a microminiature format shows potential as a viable, high efficiency, on-chip power source. Microminiature thermionic converters (MTC) with inter-electrode spacings on the order of microns are currently being prototyped and evaluated at Sandia. The remaining enabling technology is the development of low work function materials and processes than can be integrated into these converters. In this report, the authors demonstrate a method of incorporating thin film emitters into converters using rf sputtering. They find that the resultant films possess a minimum work function of 1.2 eV. Practical energy conversion is hindered by surface work function non-uniformity. They postulate the source of this heterogeneity to be a result of limited bulk and surface transport of barium. Several methods are proposed for maximizing transport, including increased film porosity and the use of metal terminating layers. They demonstrate a novel method for incorporating film porosity based on metal interlayer coalescence.

Abstract not provided.

Monolithic, integrated acoustic wave chemical microsensors are being developed on gallium arsenide (GaAs) substrates. With this approach, arrays of microsensors and the high frequency electronic components needed to operate them reside on a single substrate, increasing the range of detectable analytes, reducing overall system size, minimizing systematic errors, and simplifying assembly and packaging. GaAs is employed because it is both piezoelectric, a property required to produce the acoustic wave devices, and a semiconductor with a mature microelectronics fabrication technology. Many aspects of integrated GaAs chemical sensors have been investigated, including: surface acoustic wave (SAW) sensors; monolithic SAW delay line oscillators; GaAs application specific integrated circuits (ASIC) for sensor operation; a hybrid sensor array utilizing these ASICS; and the fully monolithic, integrated SAW array. Details of the design, fabrication, and performance of these devices are discussed. In addition, the ability to produce heteroepitaxial layers of GaAs and aluminum gallium arsenide (AlGaAs) makes possible micromachined membrane sensors with improved sensitivity compared to conventional SAW sensors. Micromachining techniques for fabricating flexural plate wave (FPW) and thickness shear mode (TSM) microsensors on thin GaAs membranes are presented and GaAs FPW delay line and TSM resonator performance is described.

Inductive energy storage systems can have high energy density, lending to smaller, less expensive systems. The crucial element of an inductive energy storage system is the opening switch. This switch must conduct current while energy is stored in an inductor, then open quickly to transfer this energy to a load. Plasma can perform this function. The Plasma Opening Switch (POS) has been studied for more than two decades. Success with the conventional plasma opening switch has been limited. A system designed to significantly improve the performance of vacuum opening switches is described in this paper. The gap cleared of plasma is a rough figure-of-merit for vacuum opening switches. Typical opened gaps of 3 mm are reported for conventional switches. The goal for the system described in this paper is more than 3 cm. To achieve this, the command-triggered POS adds an active opening mechanism, which allows complete separation of conduction and opening. This separation is advantageous because of the widely different time scales of conduction and opening. The detrimental process of magnetic field penetration into the plasma during conduction is less important in this switch. The opening mechanism duration is much shorter than the conduction time, so penetration during opening is insignificant. Opening is accomplished with a fast magnetic field that pushes plasma out of the switch region. Plasma must be removed from the switch region to allow high voltage. This paper describes some processes important during conduction and opening, and show calculations on the trigger requirements. The design of the switch is shown. This system is designed to demonstrate both improved performance and nanosecond output jitter at levels greater than one terawatt. An amplification mechanism is described which reduces the trigger energy. Particle-in-cell simulations of the system are also shown.

Simple tangent, hard site chains near a hard wall are modeled with a Density Functional (DF) theory that uses the direct correlation function, c(r), as its ''input''. Two aspects of this DF theory are focused upon: (1) the consequences of variations in c(r)'s detailed form; and (2) the correct way to introduce c(r) into the DF formalism. The most important aspect of c(r) is found to be its integrated value, {cflx c}(0). Indeed, it appears that, for fixed {cflx c}(0), all reasonable guesses of the detailed shape of c(r) result in surprisingly similar density distributions, {rho}(r). Of course, the more accurate the c(r), the better the {rho}(r). As long as the length scale introduced by c(r) is roughly the hard site diameter and as long as the solution remains liquid-like, the {rho}(r) is found to be in good agreement with simulation results. The c(r) is used in DF theory to calculate the medium-induced-potential, U{sub M}(r) from the density distribution, {rho}(r). The form of U{sub M}(r) can be chosen to be one of a number of different forms. It is found that the forms for U{sub M}(r), which yield the most accurate results for the wall problem, are also those which were suggested as accurate in previous, related studies.

Solid freeform fabrication is the near-net-shape manufacturing of components by sequentially stacking thin layers of material until complicated three dimensional shapes are produced. The operation is computer controlled and requires no molds. This exciting new field of technology provides engineers with the ability to rapidly produce prototype parts directly from CAD drawings and oftentimes little or no machining is necessary after fabrication. Techniques for freeform fabrication with several types of plastics and metals are already quite advanced and maybe reviewed in references 1 and 2. Very complicated plastic models can be fabricated by stereolithography, selective laser sintering, fused deposition modeling, or three-dimensional ink jet printing. Metals may be freeformed by the LENS{trademark} technique and porous ceramic bodies by three dimensional printing into a porous powder bed. However, methods for freeform fabrication that utilize particulate slurries to build dense ceramics and composites are not as well developed. The techniques that are being developed for the freeform fabrication of dense structural ceramics primarily revolve around the sequential layering of ceramic loaded polymers or waxes. Laminated Object Manufacturing and CAM-LEM processing use controlled stacking and laser cutting of ceramic tapes [2,3]. Similar to fused deposition modeling, ceramic loaded polymer/wax filaments are being used for the fused deposition of ceramics [2,4]. Extrusion freeform fabrication uses high pressure extrusion to deposit layers of ceramic loaded polymer/wax systems[1]. Modified stereolithographic techniques are also being developed using ceramic loaded ultraviolet curable resins [2]. Pre-sintered parts made with any of these techniques typically have 40-55 vol.% polymeric binder. In this regard, these techniques are analogous to powder injection molding of ceramics. Very long and complicated burnout heat treatments are necessary to produce a dense ceramic, free of organics. Heating rates of 0.2 degrees Celsius per minute are common. [5] Thus, while a part maybe rapidly prototype within a few hours, it takes several days to densify. In contrast, robocasting is a freeform fabrication technique developed at Sandia National Labs that utilizes particulate slurries but does not require organic binders. Since binder burnout is not an issue, a dense ceramic part maybe freeformed, dried, and sintered in less than 24 hours. In some regards, robocasting is analogous to the ceramic near-net-shape processing techniques, slip casting and gel casting [6]; however, robocasting is moldless and fabrication times can be quicker.

Device penetration into media such as metal and soil is an application of some engineering interest. Often, these devices contain internal components and it is of paramount importance that all significant components survive the severe environment that accompanies the penetration event. In addition, the system must be robust to perturbations in its operating environment, some of which exhibit behavior which can only be quantified to within some level of uncertainty. In the analysis discussed herein, methods to address the reliability of internal components for a specific application system are discussed. The shock response spectrum (SRS) is utilized in conjunction with the Advanced Mean Value (AMV) and Response Surface methods to make probabilistic statements regarding the predicted reliability of internal components. Monte Carlo simulation methods are also explored.

Previous applications of DF theory required a single chain Monte Carlo simulation to be performed within a self-consistent loop. In the current work, a methodology is developed which permits the simulation to be taken out of the iterative loop. Consequently, the calculation of the self-consistent, medium-induced-potential, or field, is decoupled from the simulation. This approach permits different densities, different forms of U{sub M}(r), and different wall-polymer interactions to be investigated from a single Monte Carlo simulation. The increase in computational efficiency is immense.

In the world of computers a trusted object is a collection of possibly-sensitive data and programs that can be allowed to reside and execute on a computer, even on an adversary's machine. Beyond the scope of one computer we believe that network-based agents in high-consequence and highly reliable applications will depend on this approach, and that the basis for such objects is what we call ''faithful execution.''

Minimum-time trajectory tracking of an under-actuated mechanical system called the Acrobot is presented. The success of the controller is demonstrated by the fact that the tracking error is reduced by more than an order of magnitude when compared to the open-loop system response. The control law is obtained by linearizing the system about the nominal trajectory and applying differential dynamic programming to the resulting linear time-varying system, while using a weighted sum of the state-deviation and input-deviation as the cost function.

A study to characterize the low-temperature reactive processes for o-AP and an AP/HTPB-based propellant (class 1.3) is being conducted in the laboratory using the techniques of simultaneous thermogravimetric modulated beam mass spectrometry (STMBMS) and scanning electron microscopy (SEM). The results presented in this paper are a follow up of the previous work that showed the overall decomposition to be complex and controlled by both physical and chemical processes. The decomposition is characterized by the occurrence of one major event that consumes up to {approx}35% of the AP, depending upon particle size, and leaves behind a porous agglomerate of AP. The major gaseous products released during this event include H{sub 2}O, O{sub 2}, Cl{sub 2}, N{sub 2}O and HCl. The recent efforts provide further insight into the decomposition processes for o-AP. The temporal behaviors of the gas formation rates (GFRs) for the products indicate that the major decomposition event consists of three chemical channels. The first and third channels are affected by the pressure in the reaction cell and occur at the surface or in the gas phase above the surface of the AP particles. The second channel is not affected by pressure and accounts for the solid-phase reactions characteristic of o-AP. The third channel involves the interactions of the decomposition products with the surface of the AP. SEM images of partially decomposed o-AP provide insight to how the morphology changes as the decomposition progresses. A conceptual model has been developed, based upon the STMBMS and SEM results, that provides a basic description of the processes. The thermal decomposition characteristics of the propellant are evaluated from the identities of the products and the temporal behaviors of their GFRs. First, the volatile components in the propellant evolve from the propellant as it is heated. Second, the hot AP (and HClO{sub 4}) at the AP-binder interface oxidize the binder through reactions that preferentially strip the hydrogen from the binder and yield HCl and H{sub 2}O with some oxidation of the carbon from the binder. Third, the o-AP in the propellant decomposes in the same manner as in neat o-AP. Finally, AP-derived gaseous products interact with other ingredients in the propellant.

A set of linear and nonlinear stability analysis tools have been developed to analyze steady state incompressible flows in 3D geometries. The algorithms have been implemented to be scalable to hundreds of parallel processors. The linear stability of steady state flows are determined by calculating the rightmost eigenvalues of the associated generalize eigenvalue problem. Nonlinear stability is studied by bifurcation analysis techniques. The boundaries between desirable and undesirable operating conditions are determined for buoyant flow in the rotating disk CVD reactor.

Mesa and planar GaN Schottky diode rectifiers with reverse breakdown voltages (V{sub RB}) up to 550V and >2000V, respectively, have been fabricated. The on-state resistance, R{sub ON}, was 6m{Omega}{center_dot} cm{sup 2} and 0.8{Omega}cm{sup 2}, respectively, producing figure-of-merit values for (V{sub RB}){sup 2}/R{sub ON} in the range 5-48 MW{center_dot}cm{sup -2}. At low biases the reverse leakage current was proportional to the size of the rectifying contact perimeter, while at high biases the current was proportional to the area of this contact. These results suggest that at low reverse biases, the leakage is dominated by the surface component, while at higher biases the bulk component dominates. On-state voltages were 3.5V for the 550V diodes and {ge}15 for the 2kV diodes. Reverse recovery times were <0.2{micro}sec for devices switched from a forward current density of {approx}500A{center_dot}cm{sup -2} to a reverse bias of 100V.

The topic of Privacy is complex, multi-faceted, and often emotionally laden. This paper will cover the following topics, in an effort to further understanding of federal regulations and activities, the balancing act that necessarily occurs in business, and what role a records manager can play. The topics are: Definitions; The Privacy Act; ''Private'' companies; Potential areas of concern; Expectations; Corporate responsibilities; Case studies; and Records Manager's role.

The non-linear stress-strain relation for crosslinked polymer networks is studied using molecular dynamics simulations. Previously we demonstrated the importance of trapped entanglements in determining the elastic and relaxational properties of networks. Here we present new results for the stress versus strain for both dry and swollen networks. Models which limit the fluctuations of the network strands like the tube model are shown to describe the stress for both elongation and compression. For swollen networks, the total modulus is found to decrease like (V{sub o}/V){sup 2/3} and goes to the phantom model result only for short strand networks.

Predicting the properties of nonequilibrium systems from molecular simulations is a growing area of interest. One important class of problems involves steady state diffusion. To study these cases, a grand canonical molecular dynamics approach has been developed by Heffelfinger and van Swol [J. Chem. Phys., 101, 5274 (1994)]. With this method, the flux of particles, the chemical potential gradients, and density gradients can all be measured in the simulation. In this paper, we present a complementary approach that couples a nonlocal density functional theory (DFT) with a transport equation describing steady-state flux of the particles. We compare transport-DFT predictions to GCMD results for a variety of ideal (color diffusion), and nonideal (uphill diffusion and convective transport) systems. In all cases excellent agreement between transport-DFT and GCMD calculations is obtained with diffusion coefficients that are invariant with respect to density and external fields.

Magnesium vanadates are potentially important catalytic materials for the conversion of alkanes to alkenes via oxidative dehydrogenation. However, little is known about the active sites at which the catalytic reactions take place. It may be possible to obtain a significant increase in the catalytic efficiency if the effects of certain material properties on the surface reactions could be quantified and optimized through the use of appropriate preparation techniques. Given that surface reactivity is often dependent upon surface structure and that the atomic level structure of the active sites in these catalysts is virtually unknown, we desire thin film samples consisting of a single magnesium vanadate phase and a well defined crystallographic orientation in order to reduce complexity and simplify the study of active sites. We report on the use of reactive RF sputter deposition to fabricate very highly oriented, stoichiometric Mg{sub 3}(VO{sub 4}){sub 2} thin films for use in these surface analysis studies. Deposition of samples onto amorphous substrates resulted in very poor crystallinity. However, deposition of Mg{sub 3}(VO{sub 4}){sub 2} onto well-oriented, lattice-matched thin film ''seed'' layers such as Ti(0001), Au(111), or Pt(111) resulted in very strong preferential (042) crystallographic orientation (pseudo-hexagonal oxygen planes parallel to the substrate). This strong preferential growth of the Mg{sub 3}VO{sub 4}{sub 2} suggests epitaxial (single-crystal) growth of this mixed metal oxide on the underlying metal seed layer. The effects of the seed layer material, deposition temperature, and post-deposition reactive treatments on thin film properties such as stoichiometry, crystallographic orientation, and chemical interactions will be discussed.

A range of pore diffusivities, D{sub p}, is implied by the high degree of pore-scale heterogeneity observed in core samples of the Culebra (dolomite) Member of the Rustler formation, NM. Earlier tracer tests in the culebra at the field-scale have confirmed significant heterogeneity in diffusion rate coefficients (the combination of D{sub p} and matrix block size). In this study, expressions for solute diffusion in the presence of multiple simultaneous matrix diffusivities are presented and used to model data from eight laboratory-scale diffusion experiments performed on five Culebra samples. A lognormal distribution of D{sub p} is assumed within each of the lab samples. The estimated standard deviation ({sigma}{sub d}) of In(D{sub p}) within each sample ranges from 0 to 1, with most values lying between 0.5 and 1. The variability over all samples leads to a combined {sigma}{sub d} in the range of 1.0 to 1.2, which appears to be consistent with a best-fit statistical distribution of formation factor measurements for similar Culebra samples. A comparison of the estimation results to other rock properties suggests that, at the lab-scale, the geometric mean of D{sub p} increases with bulk porosity and the quantity of macroscopic features such as vugs and fractures. However, {sigma}{sub d} appears to be determined by variability within such macroscopic features and/or by micropore-scale heterogeneity. In addition, comparison of these experiments to those at larger spatial scales suggests that increasing sample volume results in an increase in {sigma}{sub d}.

The processes of defining managerial roles and providing for delegation of authority are essential to any enterprise. At most large organizations, these processes are defined in policy manuals and through sets of standard operating procedures for many, if not all, business and administrative functions. Many of these staff-initiated, administrative functions require the routing of documents for approval to one or more levels of management. These employee-oriented, back office types of workflows tend to require more flexibility in determining to whom these documents should go to, while, at the same time, providing the responsible parties with the flexibility to delegate their approval authority or allow others to review their work. Although this practice is commonplace in manual, paper-based processes that exist in many organizations, it is difficult to provide the same flexibility in the more structured, electronic-based, workflow systems.

In 1979, six years after selecting the Delaware Basin as a potential disposal area, Congress authorized the U.S. Department of Energy to build the Waste Isolation Pilot Plant (WIPP) near Carlsbad, New Mexico, as a Research and development facility for the safe management storage, and disposal of waste contaminated with transuranic radioisotopes. In 1998, 19 years after authorization and after site selection, the U.S. Environmental Protection Agency (EPA) certified that the WIPP disposal system complied with its regulations. The EPA's decision was primarily based on the results from a performance. assessment conducted in 1996, which is summarized in this special issue of Reliability Engineering and System Safety. This performance assessment was the culmination of four preliminary performance assessments conducted between 1989 and 1992. This paper provides a historical setting and context for how the performance of the deep geologic repository at the WIPP was analyzed. Also included is background on political forces acting on the project.

Paul McWhorter, Deputy Director for of the Microsystems Center at Sandia National Laboratories, discusses the potential of surface micromachining. A vision of the possibilities of intelligent Microsystems for the future is presented along with descriptions of several possible applications. Applications that are just around the corner and some that maybe quite a ways down the road but have a clear development path to their realization. Microsystems will drive the next silicon revolution.

We are continuing to study the suitability of modified thermal-battery technology as a potential power source for geothermal borehole applications. Previous work focused on the LiSi/FeS{sub 2} couple over a temperature range of 350 C to 400 C with the LiBr-KBr-LiF eutectic, which melts at 324.5 C. In this work, the discharge processes that take place in LiSi/CsBr-LiBr-KBr eutectic/FeS{sub 2} thermal cells were studied at temperatures between 250 C and 400 C using pelletized cells with immobilized electrolyte. The CsBr-LiBr-KBr eutectic was selected because of its lower melting point (228.5 C). Incorporation of a quasi-reference electrode allowed the determination of the relative contribution of each electrode to the overall cell polarization. The results of single-cell tests and limited battery tests are presented, along with preliminary data for battery stacks tested in a simulated geothermal borehole environment.

The performance of Li-alloy/CsBr-LiBr-KBr/Ag{sub 2}CrO{sub 4} systems was studied over a temperature range of 250 C to 300 C, for possible use as a power source for geothermal borehole applications. Single cells were discharged at current densities of 15.8 and 32.6 mA/cm{sup 2} using Li-Si and Li-Al anodes. When tested in 5-cell batteries, the Li-Si/CsBr-LiBr-KBr/Ag{sub 2}CrO{sub 4} system exhibited thermal runaway. Thermal analytical tests showed that the Ag{sub 2}CrO{sub 4} cathode reacted exothermically with the electrolyte on activation. Consequently, this system would not be practical for the envisioned geothermal borehole applications.

The electronic transport properties of Cadmium Zinc Telluride (CZT) determine the charge collection efficiency (i.e. the signal quality) of CZT detectors. These properties vary on both macroscopic and microscopic scale and depend on the presence of impurities and defects introduced during the crystal growth. Ion Beam Induced Charge Collection (IBICC) is a proven method to measure the charge collection efficiency. Using an ion microbeam, the charge collection efficiency can be mapped with submicron resolution, and the map of electronic properties (such as drift length) can be calculated from the measurement. A more sophisticated version of IBICC, the Time Resolved IBICC (TRIBICC) allows them to determine the mobility and the life time of the charge carriers by recording and analyzing the transient waveform of the detector signal. Furthermore, lateral IBICC and TRIBICC can provide information how the charge collection efficiency depends on the depth where the charge carriers are generated. This allows one to deduce information on the distribution of the electric field and transport properties of the charge carriers along the detector axis. IBICC and TRIBICC were used at the Sandia microbeam facility to image electronic properties of several CZT detectors. From the lateral TRIBICC measurement the electron and hole drift length profiles were calculated.

A motion planning strategy was developed and implemented to generate motion control instructions from solid model data for controlling a robotically driven solid free-form fabrication process. The planning strategy was tested using a PUMA type robot arm integrated into a LENS{trademark} (Laser Engineered Net Shape) system. Previous systems relied on a series of x, y, and z stages, to provide a minimal coordinated motion control capability. This limited the complexity of geometries that could be constructed. With the coordinated motion provided by a robotic arm, the system can produce three dimensional parts by ''writing'' material onto any face of existing material. The motion planning strategy relied on solid model geometry evaluation and exploited robotic positioning flexibility to allow the construction of geometrically complex parts. The integration of the robotic manipulator into the LENS{trademark} system was tested by producing metal parts directly from CAD models.

The emerging field of haptics represents a fundamental change in human-computer interaction (HCI), and presents solutions to problems that are difficult or impossible to solve with a two-dimensional, mouse-based interface. To take advantage of the potential of haptics, however, innovative interaction techniques and programming environments are needed. This paper describes FGB (FLIGHT GHUI Builder), a programming tool that can be used to create an application specific graphical and haptic user interface (GHUI). FGB is itself a graphical and haptic user interface with which a programmer can intuitively create and manipulate components of a GHUI in real time in a graphical environment through the use of a haptic device. The programmer can create a GHUI without writing any programming code. After a user interface is created, FGB writes the appropriate programming code to a file, using the FLIGHT API, to recreate what the programmer created in the FGB interface. FGB saves programming time and increases productivity, because a programmer can see the end result as it is created, and FGB does much of the programming itself. Interestingly, as FGB was created, it was used to help build itself. The further FGB was in its development, the more easily and quickly it could be used to create additional functionality and improve its own design. As a finished product, FGB can be used to recreate itself in much less time than it originally required, and with much less programming. This paper describes FGB's GHUI components, the techniques used in the interface, how the output code is created, where programming additions and modifications should be placed, and how it can be compared to and integrated with existing API's such as MFC and Visual C++, OpenGL, and GHOST.

Engineered Cu-rich islands were fabricated on an Al thin film to investigate pit initiation mechanisms at noble particles. X-ray photoelectron spectroscopy confirms that the thin film Cu-rich islands interdiffuse with the underlying Al substrate to form Al{sub 2}Cu islands. The defect arrays exhibit open circuit potential fluctuations whose magnitude and frequency increase as defect spacing decreases for constant island size and cathode/anode ratio. Post-exposure examination by energy dispersive spectroscopy (EDS) shows that the Al beneath the Cu-rich island dissolves with a crevice geometry. Engineered Al islands fabricated under identical conditions do not induce crevice corrosion in the vicinity of the Al defects. These results suggest that the Al dissolution is driven by the galvanic coupling between the noble island and matrix, and/or by a local change in chemistry, rather than by the presence of a defective oxide in the vicinity of the island.

Simulation of viscous three-dimensional fluid flow typically involves a large number of unknowns. When free surfaces are included, the number of unknowns increases dramatically. Consequently, this class of problem is an obvious application of parallel high performance computing. We describe parallel computation of viscous, incompressible, free surface, Newtonian fluid flow problems that include dynamic contact fines. The Galerkin finite element method was used to discretize the fully-coupled governing conservation equations and a ''pseudo-solid'' mesh mapping approach was used to determine the shape of the free surface. In this approach, the finite element mesh is allowed to deform to satisfy quasi-static solid mechanics equations subject to geometric or kinematic constraints on the boundaries. As a result, nodal displacements must be included in the set of unknowns. Other issues discussed are the proper constraints appearing along the dynamic contact line in three dimensions. Issues affecting efficient parallel simulations include problem decomposition to equally distribute computational work among a SPMD computer and determination of robust, scalable preconditioners for the distributed matrix systems that must be solved. Solution continuation strategies important for serial simulations have an enhanced relevance in a parallel coquting environment due to the difficulty of solving large scale systems. Parallel computations will be demonstrated on an example taken from the coating flow industry: flow in the vicinity of a slot coater edge. This is a three dimensional free surface problem possessing a contact line that advances at the web speed in one region but transitions to static behavior in another region. As such, a significant fraction of the computational time is devoted to processing boundary data. Discussion focuses on parallel speed ups for fixed problem size, a class of problems of immediate practical importance.

We report progress of a continuing effort to characterize and simulate the response of energetic materials (EMs), primarily HMX-based, under conditions leading to cookoff. Our experiments include mechanical-effects testing of HMX and FIMX with binder at temperatures nearing decomposition thresholds. Additional experiments have focused on decomposition of these EMs under confinement, measuring evolution of gas products and observing the effect of pressurization on the solid. Real-time measurements on HMX show abrupt changes that maybe due to sudden void collapse under increasing load. Postmortem examination shows significant internal damage to the pellets, including voids and cracks. These experiments have been used to help develop a constitutive model for pure HMX. Unconfined uniaxial compression tests were performed on HMX and LX-14 to examine the effect of binders on the deviatoric strength of EM pellets, and to assess the need of including deviatoric terms in the model. A scale-up experiment will be described that is being developed to validate the model and provide additional diagnostics.

The HMX {beta}-{delta} solid-solid phase transition, which occurs as HMX is heated near 170 C, is clearly linked to increased reactivity and sensitivity to initiation. Thermally damaged energetic materials (EMs) containing HMX therefore may present a safety concern. Information about the phase transition is vital to a predictive safety model for HMX and HMX-containing EMs. We report work in progress on monitoring the phase transition with real-time Raman spectroscopy and ultrasonic measurements aimed towards a better understanding of physical properties through the phase transition. HMX samples were confined with minimal free volume.in a cell with constant volume. The cell was heated at a controlled rate and real-time Raman spectroscopic or ultrasonic measurements were performed. Raman spectroscopy provides a clear distinction between the two phases because the vibrational transitions of the molecule change with confirmational changes associated with the phase transition. Ultrasonic time-of-flight measurements provide an additional method of distinguishing the two phases because the sound speed through the material changes with the phase transition. Ultrasonic attenuation measurements also provide information about microstructural changes such as increased porosity due to evolution of gaseous decomposition products.

Polycrystalline diamond compact (PDC) bits have yet to be routinely applied to drilling the hard-rock formations characteristic of geothermal reservoirs. Most geothermal production wells are currently drilled with tungsten-carbide-insert roller-cone bits. PDC bits have significantly improved penetration rates and bit life beyond roller-cone bits in the oil and gas industry where soft to medium-hard rock types are encountered. If PDC bits could be used to double current penetration rates in hard rock geothermal well-drilling costs could be reduced by 15 percent or more. PDC bits exhibit reasonable life in hard-rock wear testing using the relatively rigid setups typical of laboratory testing. Unfortunately, field experience indicates otherwise. The prevailing mode of failure encountered by PDC bits returning from hard-rock formations in the field is catastrophic, presumably due to impact loading. These failures usually occur in advance of any appreciable wear that might dictate cutter replacement. Self-induced bit vibration, or ''chatter'', is one of the mechanisms that may be responsible for impact damage to PDC cutters in hard-rock drilling. Chatter is more severe in hard-rock formations since they induce significant dynamic loading on the cutter elements. Chatter is a phenomenon whereby the drillstring becomes dynamically unstable and excessive sustained vibrations occur. Unlike forced vibration, the force (i.e., weight on bit) that drives self-induced vibration is coupled with the response it produces. Many of the chatter principles derived in the machine tool industry are applicable to drilling. It is a simple matter to make changes to a machine tool to study the chatter phenomenon. This is not the case with drilling. Chatter occurs in field drilling due to the flexibility of the drillstring. Hence, laboratory setups must be made compliant to observe chatter.

Traditionally law enforcement agencies have relied on basic measurement and imaging tools, such as tape measures and cameras, in recording a crime scene. A disadvantage of these methods is that they are slow and cumbersome. The development of a portable system that can rapidly record a crime scene with current camera imaging, 3D geometric surface maps, and contribute quantitative measurements such as accurate relative positioning of crime scene objects, would be an asset to law enforcement agents in collecting and recording significant forensic data. The purpose of this project is to develop a feasible prototype of a fast, accurate, 3D measurement and imaging system that would support law enforcement agents to quickly document and accurately record a crime scene.

We have conducted a fretting research project using MIL-L-87177 and CLT: X-10 lubricants on Nano-miniature connectors. When they were fretted without lubricant, individual connectors first exceeded our 0.5 ohm failure criteria from 2,341 to 45,238 fretting cycles. With additional fretting, their contact resistance increased to more than 100,000 ohms. Unmodified MIL-L-87177 lubricant delayed the onset of first failure to between 430,000 and over 20,000,000 fretting cycles. MIL-L-87177 modified by addition of Teflon powder delayed first failure to beyond 5 million fretting cycles. Best results were obtained when Teflon was used and also when both the straight and modified lubricants were poured into and then out of the connector. CLT: X-10 lubricant delayed the onset of first failure to beyond 55 million cycles in one test where a failure was actually observed and to beyond 20 million cycles in another that was terminated without failure. CLT: X-10 recovered an unlubricated connector driven deeply into failure, with six failed pins recovering immediately and four more recovering during an additional 420 thousand fretting cycles. MIL-L-87177 was not able to recover a connector under similar conditions.

We report scanning capacitance microscopy (SCM) images of a working p-channel metal-oxide-semiconductor field-effect transistor (P-MOSFET) during device operation. Independent bias voltages were applied to the source/gate/drain/well regions of the MOSFET during SCM imaging, and the effect of these voltages on the SCM images is discussed. © 1999 American Institute of Physics.

Modern wind turbines are fatigue critical machines that are typically used to produce electrical power from the wind. The materials used to construct these machines are subjected to a unique loading spectrum that contains several orders of magnitude more cycles than other fatigue critical structures, e.g., an airplane. To facilitate fatigue designs, a large database of material properties has been generated over the past several years that is specialized to materials typically used in wind turbines. In this paper, I review these fatigue data. Major sections are devoted to the properties developed for wood, metals (primarily aluminum) and fiberglass. Special emphasis is placed on the fiberglass discussion because this material is current the material of choice for wind turbine blades. The paper focuses on the data developed in the U.S., but cites European references that provide important insights.

Parallel microscopic experimentation (the combinatorial approach often used in solid-state science) was applied to characterize atmospheric copper corrosion behavior. Specifically, this technique permitted relative sulfidation rates to be determined for copper containing different levels of point defects and impurities (In, Al, O, and D). Corrosion studies are inherently difficult because of complex interactions between material interfaces and the environment. The combinatorial approach was demonstrated using micron-scale Cu lines that were exposed to a humid air environment containing sub-ppm levels of H{sub 2}S. The relative rate of Cu{sub 2}S growth was determined by measuring the change in resistance of the line. The data suggest that vacancy trapping by In and Al impurities slow the sulfidation rate. Increased sulfidation rates were found for samples containing excess point defects or deuterium. Furthermore, the sulfidation rate of 14 {micro}m wide Cu lines was increased above that for planar films.

A methodology has been established to predict the effect of atmospheric corrosion on the reliability of plastic encapsulated microelectronic (PEM) devices. New experimental techniques were developed to directly characterize the Al/Au wirebond interface where corrosion primarily occurs. A deterministic empirical model describing wirebond degradation as a function of environmental conditions was generated. To demonstrate how this model can be used to determine corrosion effects on device reliability, a numerical simulation was performed on a three-lead voltage reference device. Surface reaction rate constants, environmental variables and the defect characteristics of the encapsulant were treated as distributed parameters. A Sandia-developed analytical framework (CRAX{trademark}) was used to include uncertainty in the analysis and directly calculate reliability.

A dependence of elastic response on the stress-state of a thin film has been demonstrated using the interfacial force microscope (IFM). Indentation response was measured as a function of the applied biaxial stress-state for 100 nm thick Au films. An increase in measured elastic modulus with applied compressive stress, and a decrease with applied tensile stress was observed. Measurements of elastic modulus before and after applying stress were identical indicating that the observed change in response is not due to a permanent change in film properties.

This report focuses Sandia National Laboratories' effort to create high-temperature logging tools for geothermal applications not requiring heat-shielding. Tool electronics can operate up to 300 C with a few limiting components operating to 250 C. Second generation electronics are needed to increase measurement accuracy and extend the operating range to 300 and then 350 C are identified. Custom development of high-temperature batteries and assembling techniques are touched on. Outcomes of this work are discussed and new directions for developing high-temperature industry are suggested.

A high-speed data link that would provide dramatically faster communication from downhole instruments to the surface and back again has the potential to revolutionize deep drilling for geothermal resources through Diagnostics-While-Drilling (DWD). Many aspects of the drilling process would significantly improve if downhole and surface data were acquired and processed in real-time at the surface, and used to guide the drilling operation. Such a closed-loop, driller-in-the-loop DWD system, would complete the loop between information and control, and greatly improve the performance of drilling systems. The main focus of this program is to demonstrate the value of real-time data for improving drilling. While high-rate transfer of down-hole data to the surface has been accomplished before, insufficient emphasis has been placed on utilization of the data to tune the drilling process to demonstrate the true merit of the concept. Consequently, there has been a lack of incentive on the part of industry to develop a simple, low-cost, effective high-speed data link. Demonstration of the benefits of DWD based on a high-speed data link will convince the drilling industry and stimulate the flow of private resources into the development of an economical high-speed data link for geothermal drilling applications. Such a downhole communication system would then make possible the development of surface data acquisition and expert systems that would greatly enhance drilling operations. Further, it would foster the development of downhole equipment that could be controlled from the surface to improve hole trajectory and drilling performance. Real-time data that would benefit drilling performance include: bit accelerations for use in controlling bit bounce and improving rock penetration rates and bit life; downhole fluid pressures for use in the management of drilling hydraulics and improved diagnosis of lost circulation and gas kicks; hole trajectory for use in reducing directional drilling costs; and downhole weight-on-bit and drilling torque for diagnosing drill bit performance. In general, any measurement that could shed light on the downhole environment would give us a better understanding of the drilling process and reduce drilling costs.

Using slim holes (diameter < 15 cm) for geothermal exploration and small-scale power production can produce significant cost savings compared to conventional rotary-drilling methods. In addition, data obtained from slim holes can be used to lower the risks and costs associated with the drilling and completion of large-diameter geothermal wells. As a prime contractor to the U.S. Department of Energy (DOE), Sandia National Laboratories has worked with industry since 1992 to develop and promote drilling, testing, and logging technology for slim holes. This paper describes the current status of work done both in-house and contracted to industry. It focuses on drilling technology, case histories of slimhole drilling projects, data collection and rig instrumentation, and high-temperature logging tools.

Coffinite (USiO{sub 4}) has been found in numerous sedimentary and hydrothermal environments including those considered as natural analogues of nuclear waste repositories. Scanning electron microscopy (SEM) and analytical electron microscopy (AEM) studies have been conducted on a uraninite sample from a U-deposit in Canada. It is observed that the uraninite (UO{sub 2+x}) is replaced by coffinite (U[SiO{sub 4}].nH{sub 2}O) and the replacing coffinite coexists with quartz. The TEM study shows {alpha}-recoil damage, lattice distortion, and low-angle boundaries among neighboring uraninite domains. Coffinitization seems more closely associated with {alpha}-recoil-damaged uraninite areas. Electron energy-loss spectroscopy (EELS) spectrum indicates that the ratio of U(+6)U(+4) in the uraninite is about 2/3, while the coffinite is dominated by U(+4). A thermodynamic calculation indicates that coffinitization can take place most likely at temperatures below 130 C if dissolved silica concentrations are limited by amorphous silica mineral phase. In a sufficiently high silica concentration environment, coffinite can form under the oxygen fugacity of 10{sup -65}-10{sup -55} atm. The equilibrium model, however, is not able to explain the coexistence of coffinite with quartz. A kinetic model that takes account of Ostwald processes is thus proposed. The kinetic model indicates that the presence of U(+6) in uraninite and the enhanced uraninite dissolution rate may be an important factor controlling uraninite coffinitization.

Red Teaming is an advanced form of assessment that can be used to identify weaknesses in a variety of cyber systems. it is especially beneficial when the target system is still in development when designers can readily affect improvements. This paper discusses the red team analysis process and the author's experiences applying this process to five selected Information Technology Office (ITO) projects. Some detail of the overall methodology, summary results from the five projects, and lessons learned are contained within this paper.

Z-pinches now constitute the most energetic and powerful sources of x-rays available by a large margin. The Z accelerator at Sandia National Laboratories has produced 1.8 MJ of x-ray energy, 280 TW of power, and hohlraum temperatures of 200 eV. These advances are being applied to inertial confinement fusion (ICF) experiments on Z. The requirements for high fusion yield are exemplified in the target to be driven by the X-1 accelerator. X-1 will drive two z-pinches, each producing 7 MJ of x-ray energy and about 1000 TW of x-ray power. Together, these radiation sources will heat a hohlraum containing the 4-mm diameter ICF capsule to a temperature exceeding 225 eV for about 10 ns, with the pulse shape required to drive the capsule to high fusion yield, in the range of 200--1000 MJ. Since X-1 consists of two identical accelerators, it is possible to mitigate the technical risk of high yield by constructing one accelerator. This accelerator, ZX, will bridge the gap from Z to X-1 by driving an integrated target experiment with a very efficient energy source, ZX will also provide experimental condition that the full specifications of the X-1 accelerator for high yield are achievable, and that a realistic path to high fission yield exists.

The pace of development and fielding of electric vehicles is briefly described and the principal advanced battery chemistries expected to be used in the EV application are identified as Ni/MH in the near term and Li-ion/Li-polymer in the intermediate to long term. The status of recycling process development is reviewed for each of the two chemistries and future research needs are discussed.

The stacking of second and third layers of supercrystals of self-assembled passivated gold nanoparticles has been investigated using transmission electron microscopy. We report for the first time nanoparticles occupying the twofold saddle site in the third layer.

The authors have directly measured the stress evolution during metal organic chemical vapor deposition of AlGaN/GaN heterostructures on sapphire. In situ stress measurements were correlated with ex situ microstructural analysis to directly determine a critical thickness for cracking and the subsequent relaxation kinetics of tensile-strained Al{sub x}Ga{sub 1{minus}x}N on GaN. Cracks appear to initiate the formation of misfit dislocations at the AlGaN/GaN interface, which account for the majority of the strain relaxation.

Experiments have been performed using a coaxial end-effecter to combine a focused laser beam and a plasma arc. The device employs a hollow tungsten electrode, a focusing lens, and conventional plasma arc torch nozzles to co-locate the focused beam and arc on the workpiece. Plasma arc nozzles were selected to protect the electrode from laser generated metal vapor. The project goal is to develop an improved fusion welding process that exhibits both absorption robustness and deep penetration for small scale (< 1.5 mm thickness) applications. On aluminum alloys 6061 and 6111, the hybrid process has been shown to eliminate hot cracking in the fusion zone. Fusion zone dimensions for both stainless steel and aluminum were found to be wider than characteristic laser welds, and deeper than characteristic plasma arc welds.

Flammable deposits have been analyzed from the exhaust systems of tools employing dichlorosilane (DCS) as a processing gas. Exact mass determinations with a high-resolution Fourier-transform ion-cyclotron resonance (FT-ICR) mass spectrometer allowed the identification of various polysiloxane species present in such an exhaust flow. Ion-molecule reactions indicate the preferred reaction pathway of siloxane formation is through HCl loss, leading to the highly reactive polysiloxane that was detected in the flammable deposits.

This report documents the 1996 evaluation by Pacific Gas and Electric Company of an advanced reserve-power system capable of supporting 2 MW of load for 10 seconds. The system, developed under a DOE Cooperative Agreement with AC Battery Corporation of East Troy, Wisconsin, contains battery storage that enables industrial facilities to ''ride through'' momentary outages. The evaluation consisted of tests of system performance using a wide variety of load types and operating conditions. The tests, which included simulated utility outages and voltage sags, demonstrated that the system could provide continuous power during utility outages and other disturbances and that it was compatible with a variety of load types found at industrial customer sites.

Abstract not provided.

Representatives of the Department of Energy, the national laboratories, the Waste Isolation Pilot Plant (WIPP), and others gathered to initiate the development of broad-based concepts and strategies for transparency monitoring of nuclear materials at the back end of the fuel/weapons cycle, including both geologic disposal and monitored retrievable storage. The workshop focused on two key questions: ''Why should we monitor?'' and ''What should we monitor?'' These questions were addressed by identifying the range of potential stakeholders, concerns that stakeholders may have, and the information needed to address those concerns. The group constructed a strategic framework for repository transparency implementation, organized around the issues of safety (both operational and environmental), diversion (assuring legitimate use and security), and viability (both political and economic). Potential concerns of the international community were recognized as the possibility of material diversion, the multinational impacts of potential radionuclide releases, and public and political perceptions of unsafe repositories. The workshop participants also identified potential roles that the WIPP may play as a monitoring technology development and demonstration test-bed facility. Concepts for WIPP'S potential test-bed role include serving as (1) an international monitoring technology and development testing facility, (2) an international demonstration facility, and (3) an education and technology exchange center on repository transparency technologies.

A small effort was conducted at Sandia National Laboratories to explore the use of a number of modern analytic technologies in the assessment of terrorist actions and to predict trends. This work focuses on Bayesian networks as a means of capturing correlations between groups, tactics, and targets. The data that was used as a test of the methodology was obtained by using a special parsing algorithm written in JAVA to create records in a database from information articles captured electronically. As a vulnerability assessment technique the approach proved very useful. The technology also proved to be a valuable development medium because of the ability to integrate blocks of information into a deployed network rather than waiting to fully deploy only after all relevant information has been assembled.

The objective of the SIERRA framework is to provide a common software infrastructure for massively parallel computational mechanics applications. The SIERRA framework consolidates the mechanics-independent computational services required by a diverse set of mechanics applications into a shared framework. Consolidation of these computational services eliminates their redundant development and maintenance efforts and streamlines the coupling of independently developed computational mechanics capabilities into integrated multi-mechanics applications.

The objective of this research is to statistically characterize the aging of integrated circuit interconnects. This report supersedes the stress void aging characterization presented in SAND99-0975, ''Reliability Degradation Due to Stockpile Aging,'' by the same author. The physics of the stress voiding, before and after wafer processing have been recently characterized by F. G. Yost in SAND99-0601, ''Stress Voiding during Wafer Processing''. The current effort extends this research to account for uncertainties in grain size, storage temperature, void spacing and initial residual stress and their impact on interconnect failure after wafer processing. The sensitivity of the life estimates to these uncertainties is also investigated. Various methods for characterizing the probability of failure of a conductor line were investigated including: Latin hypercube sampling (LHS), quasi-Monte Carlo sampling (qMC), as well as various analytical methods such as the advanced mean value (Ah/IV) method. The comparison was aided by the use of the Cassandra uncertainty analysis library. It was found that the only viable uncertainty analysis methods were those based on either LHS or quasi-Monte Carlo sampling. Analytical methods such as AMV could not be applied due to the nature of the stress voiding problem. The qMC method was chosen since it provided smaller estimation error for a given number of samples. The preliminary results indicate that the reliability of integrated circuits due to stress voiding is very sensitive to the underlying uncertainties associated with grain size and void spacing. In particular, accurate characterization of IC reliability depends heavily on not only the frost and second moments of the uncertainty distribution, but more specifically the unique form of the underlying distribution.

This report provides a statistical description of the types and severities of tractor semi-trailer accidents involving at least one fatality. The data were developed for use in risk assessments of hazardous materials transportation. A previous study (SAND93-2580) reviewed the availability of accident data, identified the TIFA (Trucks Involved in Fatal Accidents) as the best source of accident data for accidents involving heavy trucks, and provided statistics on accident data collected between 1980 and 1990. The current study is an extension of the previous work and describes data collected for heavy truck accidents occurring between 1992 and 1996. The TIFA database created at the University of Michigan Transportation Research Institute was extensively utilized. Supplementary data on collision and fire severity, which was not available in the TIFA database, were obtained by reviewing police reports and interviewing responders and witnesses for selected TEA accidents. The results are described in terms of frequencies of different accident types and cumulative distribution functions for the peak contact velocity, rollover skid distance, effective fire temperature, fire size, fire separation, and fire duration.

SAR range-Doppler images are inherently 2-dimensional. Targets with a height offset lay over onto offset range and azimuth locations. Just which image locations are laid upon depends on the imaging geometry, including depression angle, squint angle, and target bearing. This is the well known layover phenomenon. Images formed with different aperture geometries will exhibit different layover characteristics. These differences can be exploited to ascertain target height information, in a stereoscopic manner. Depending on the imaging geometries, height accuracy can be on the order of horizontal position accuracies, thereby rivaling the best IFSAR capabilities in fine resolution SAR images. All that is required for this to work are two distinct passes with suitably different geometries from any plain old SAR.

A fast precondition technique has been developed which accelerates the finite difference solutions of the 3D Maxwell's equations for geophysical modeling. The technique splits the electric field into its curl free and divergence free projections, and allows for the construction of an inverse operator. Test examples show an order of magnitude speed up compared with a simple Jacobi preconditioner. Using this preconditioner a low frequency Neumann series expansion is developed and used to compute responses at multiple frequencies very efficiently. Simulations requiring responses at multiple frequencies, show that the Neumann series is faster than the preconditioned solution, which must compute solutions at each discrete frequency. A Neumann series expansion has also been developed in the high frequency limit along with spectral Lanczos methods in both the high and low frequency cases for simulating multiple frequency responses with maximum efficiency. The research described in this report was to have been carried out over a two-year period. Because of communication difficulties, the project was funded for first year only. Thus the contents of this report are incomplete with respect to the original project objectives.

Wavefront curvature defocus effects occur in spotlight-mode SAR imagery when reconstructed via the well-known polar-formatting algorithm (PFA) under certain imaging scenarios. These include imaging at close range, using a very low radar center frequency, utilizing high resolution, and/or imaging very large scenes. Wavefront curvature effects arise from the unrealistic assumption of strictly planar wavefronts illuminating the imaged scene. This dissertation presents a method for the correction of wavefront curvature defocus effects under these scenarios, concentrating on the generalized: squint-mode imaging scenario and its computational aspects. This correction is accomplished through an efficient one-dimensional, image domain filter applied as a post-processing step to PF.4. This post-filter, referred to as SVPF, is precalculated from a theoretical derivation of the wavefront curvature effect and varies as a function of scene location. Prior to SVPF, severe restrictions were placed on the imaged scene size in order to avoid defocus effects under these scenarios when using PFA. The SVPF algorithm eliminates the need for scene size restrictions when wavefront curvature effects are present, correcting for wavefront curvature in broadside as well as squinted collection modes while imposing little additional computational penalty for squinted images. This dissertation covers the theoretical development, implementation and analysis of the generalized, squint-mode SVPF algorithm (of which broadside-mode is a special case) and provides examples of its capabilities and limitations as well as offering guidelines for maximizing its computational efficiency. Tradeoffs between the PFA/SVPF combination and other spotlight-mode SAR image formation techniques are discussed with regard to computational burden, image quality, and imaging geometry constraints. It is demonstrated that other methods fail to exhibit a clear computational advantage over polar-formatting in conjunction with SVPF. This research concludes that PFA in conjunction with SVPF provides a computationally efficient spotlight-mode image formation solution that solves the wavefront curvature problem for most standoff distances and patch sizes, regardless of squint, resolution or radar center frequency. Additional advantages are that SVPF is not iterative and has no dependence on the visual contents of the scene: resulting in a deterministic computational complexity which typically adds only thirty percent to the overall image formation time.

Sandia National Laboratories has tested and evaluated the Kinemetrics/Quanterra Q730B-bb (broadband) and Q730B-sp (short period) borehole installation remote digitizers. The test results included in this report were for response to static and dynamic input signals, seismic application performance, data time-tag accuracy, and reference signal generator (calibrator) performance. Most test methodologies used were based on IEEE Standards 1057 for Digitizing Waveform Recorders and P1241 (Preliminary Draft) for Analog to Digital Converters; others were designed by Sandia specifically for seismic application evaluation and for supplementary criteria not addressed in the IEEE standards. When appropriate, test instrumentation calibration is traceable to the National Institute for Standards Technology (NIST).

The prediction of potential flow about zero thickness membranes by the boundary element method constitutes an integral component of the Lagrangian vortex-boundary element simulation of flow about parachutes. To this end, the vortex loop (or the panel) method has been used, for some time now, in the aerospace industry with relative success [1, 2]. Vortex loops (with constant circulation) are equivalent to boundary elements with piecewise constant variation of the potential jump. In this case, extending the analysis in [3], the near field potential velocity evaluations can be shown to be {Omicron}(1). The accurate evaluation of the potential velocity field very near the parachute surface is particularly critical to the overall accuracy and stability of the vortex-boundary element simulations. As we will demonstrate in Section 3, the boundary integral singularities, which arise due to the application of low order boundary elements, may lead to severely spiked potential velocities at vortex element centers that are near the boundary. The spikes in turn cause the erratic motion of the vortex elements, and the eventual loss of smoothness of the vorticity field and possible numerical blow up. In light of the arguments above, the application of boundary elements with (at least) a linear variation of the potential jump--or, equivalently, piecewise constant vortex sheets--would appear to be more appropriate for vortex-boundary element simulations. For this case, two strategies are possible for obtaining the potential flow field. The first option is to solve the integral equations for the (unknown) strengths of the surface vortex sheets. As we will discuss in Section 2.1, the challenge in this case is to devise a consistent system of equations that imposes the solenoidality of the locally 2-D vortex sheets. The second approach is to solve for the unknown potential jump distribution. In this case, for commonly used C{sup o} shape functions, the boundary integral is singular at the collocation points. Unfortunately, the development of elements with C{sup 1} continuity for the potential jumps is quite complicated in 3-D. To this end, the application of Galerkin ''smoothing'' to the boundary integral equations removes the singularity at the collocation points; thus allowing the use of C{sup o} elements and potential jump distributions [4]. Successful implementations of the Galerkin Boundary Element Method to 2-D conduction [4] and elastostatic [5] problems have been reported in the literature. Thus far, the singularity removal algorithms have been based on a posterior and mathematically complex reasoning, which have required Taylor series expansion and limit processes. The application of these strategies to 3-D is expected to be significantly more complicated. In this report, we develop the formulation for a ''Regularized'' Galerkin Boundary Element Method (RGBEM). The regularization procedure involves simple manipulations using vector calculus to reduce the singularity of the hypersingular boundary integral equation by two orders for C{sup o} elements. For the case of linear potential jump distributions over plane triangles the regularized integral is simplified considerably to a double surface integral of the Green function. This is the case implemented and tested in this report. Using the example problem of flow normal to a square flat plate, the linear RGBEM predictions are demonstrated here to be more accurate, to converge faster, and to be significantly less spiked than the solutions obtained by the vortex loop method.

The Waste Isolation Pilot Plant (WIPP), which is located in southeastern New Mexico, is being developed for the geologic disposal of transuranic (TRU) waste by the U.S. Department of Energy (DOE). Waste disposal will take place in panels excavated in a bedded salt formation approximately 2000 ft (610 m) below the land surface. The BRAGFLO computer program which solves a system of nonlinear partial differential equations for two-phase flow, was used to investigate brine and gas flow patterns in the vicinity of the repository for the 1996 WIPP performance assessment (PA). The present study examines the implications of modeling assumptions used in conjunction with BRAGFLO in the 1996 WIPP PA that affect brine and gas flow patterns involving two waste regions in the repository (i.e., a single waste panel and the remaining nine waste panels), a disturbed rock zone (DRZ) that lies just above and below these two regions, and a borehole that penetrates the single waste panel and a brine pocket below this panel. The two waste regions are separated by a panel closure. The following insights were obtained from this study. First, the impediment to flow between the two waste regions provided by the panel closure model is reduced due to the permeable and areally extensive nature of the DRZ adopted in the 1996 WIPP PA, which results in the DRZ becoming an effective pathway for gas and brine movement around the panel closures and thus between the two waste regions. Brine and gas flow between the two waste regions via the DRZ causes pressures between the two to equilibrate rapidly, with the result that processes in the intruded waste panel are not isolated from the rest of the repository. Second, the connection between intruded and unintruded waste panels provided by the DRZ increases the time required for repository pressures to equilibrate with the overlying and/or underlying units subsequent to a drilling intrusion. Third, the large and areally extensive DRZ void volumes is a significant source of brine to the repository, which is consumed in the corrosion of iron and thus contributes to increased repository pressures. Fourth, the DRZ itself lowers repository pressures by providing storage for gas and access to additional gas storage in areas of the repository. Fifth, given the pathway that the DRZ provides for gas and brine to flow around the panel closures, isolation of the waste panels by the panel closures was not essential to compliance with the U.S. Environment Protection Agency's regulations in the 1996 WIPP PA.

The parametric grid capability of the Knowledge Base provides an efficient, robust way to store and access interpolatable information which is needed to monitor the Comprehensive Nuclear Test Ban Treaty. To meet both the accuracy and performance requirements of operational monitoring systems, we use a new approach which combines the error estimation of kriging with the speed and robustness of Natural Neighbor Interpolation (NNI). The method involves three basic steps: data preparation (DP), data storage (DS), and data access (DA). The goal of data preparation is to process a set of raw data points to produce a sufficient basis for accurate NNI of value and error estimates in the Data Access step. This basis includes a set of nodes and their connectedness, collectively known as a tessellation, and the corresponding values and errors that map to each node, which we call surfaces. In many cases, the raw data point distribution is not sufficiently dense to guarantee accurate error estimates from the NNI, so the original data set must be densified using a newly developed interpolation technique known as Modified Bayesian Kriging. Once appropriate kriging parameters have been determined by variogram analysis, the optimum basis for NNI is determined in a process they call mesh refinement, which involves iterative kriging, new node insertion, and Delauny triangle smoothing. The process terminates when an NNI basis has been calculated which will fir the kriged values within a specified tolerance. In the data storage step, the tessellations and surfaces are stored in the Knowledge Base, currently in a binary flatfile format but perhaps in the future in a spatially-indexed database. Finally, in the data access step, a client application makes a request for an interpolated value, which triggers a data fetch from the Knowledge Base through the libKBI interface, a walking triangle search for the containing triangle, and finally the NNI interpolation.

This report documents Phase 2 of a project to design, develop, and test a zinc/bromine battery technology for use in utility energy storage applications. The project was co-funded by the U.S. Department of Energy Office of Power Technologies through Sandia National Laboratories. The viability of the zinc/bromine technology was demonstrated in Phase 1. In Phase 2, the technology developed during Phase 1 was scaled up to a size appropriate for the application. Batteries were increased in size from 8-cell, 1170-cm{sup 2} cell stacks (Phase 1) to 8- and then 60-cell, 2500-cm{sup 2} cell stacks in this phase. The 2500-cm{sup 2} series battery stacks were developed as the building block for large utility battery systems. Core technology research on electrolyte and separator materials and on manufacturing techniques, which began in Phase 1, continued to be investigated during Phase 2. Finally, the end product of this project was a 100-kWh prototype battery system to be installed and tested at an electric utility.

The advent of inductively coupled plasma-atomic emission spectrometers (ICP-AES) equipped with charge-coupled-device (CCD) detector arrays allows the application of multivariate calibration methods to the quantitative analysis of spectral data. We have applied classical least squares (CLS) methods to the analysis of a variety of samples containing up to 12 elements plus an internal standard. The elements included in the calibration models were Ag, Al, As, Au, Cd, Cr, Cu, Fe, Ni, Pb, Pd, and Se. By performing the CLS analysis separately in each of 46 spectral windows and by pooling the CLS concentration results for each element in all windows in a statistically efficient manner, we have been able to significantly improve the accuracy and precision of the ICP-AES analyses relative to the univariate and single-window multivariate methods supplied with the spectrometer. This new multi-window CLS (MWCLS) approach simplifies the analyses by providing a single concentration determination for each element from all spectral windows. Thus, the analyst does not have to perform the tedious task of reviewing the results from each window in an attempt to decide the correct value among discrepant analyses in one or more windows for each element. Furthermore, it is not necessary to construct a spectral correction model for each window prior to calibration and analysis: When one or more interfering elements was present, the new MWCLS method was able to reduce prediction errors for a selected analyte by more than 2 orders of magnitude compared to the worst case single-window multivariate and univariate predictions. The MWCLS detection limits in the presence of multiple interferences are 15 rig/g (i.e., 15 ppb) or better for each element. In addition, errors with the new method are only slightly inflated when only a single target element is included in the calibration (i.e., knowledge of all other elements is excluded during calibration). The MWCLS method is found to be vastly superior to partial least squares (PLS) in this case of limited numbers of calibration samples.

Corrosion is an important consideration in the design of a solder joint. In the case of a conduit, corrosion from both the outside service environment and the medium being transported within the pipe or tube must be addressed. Solder joints are susceptible to atmospheric corrosion, galvanic corrosion, voltage-assisted corrosion, stress corrosion cracking, and corrosion fatigue cracking. Galvanic corrosion is of particular concern, given the fact that solder joints are comprised of different metals or alloys in contact with one another.

Abstract not provided.

Casing deformation in producing geothermal wells is a common problem in many geothermal fields, mainly due to the active geologic formations where these wells are typically located. Repairs to deformed well casings are necessary to keep the wells in production and to occasionally enter a well for approved plugging and abandonment procedures. The costly alternative to casing remediation is to drill a new well to maintain production and/or drill a well to intersect the old well casing below the deformation for abandonment purposes. The U.S. Department of Energy and the Geothermal Drilling Organization sponsored research and development work at Sandia National Laboratories in an effort to reduce these casing remediation expenditures. Sandia, in cooperation with Halliburton Energy Services, developed a low cost, bridge-plug-type, packer for use in casing remediation work in geothermal well environments. This report documents the development and testing of this commercially available petal-basket packer called the Special Application Coiled Tubing Applied Plug (SACTAP).

Abstract not provided.

Chemically prepared Pb(Zr{sub 0.951}Ti{sub 0.949}){sub 0.982}Nb{sub 0.018}O{sub 3} ceramics were fabricated that were greater than 95% dense for sintering temperatures as low as 925 C. Achieving high density at low firing temperatures permitted isolation of the effects of grain size, from those due to porosity, on both dielectric and pressure induced transformation properties. Specifically, two samples of similar high density, but with grain sizes of 0.7 {micro}m and 8.5 {micro}m, respectively, were characterized. The hydrostatic ferroelectric (FE) to antiferroelectric (AFE) transformation pressure was substantially less (150 MPa) for the lower grain size material than for the larger grain size material. In addition, the dielectric constant increased and the Curie temperature decreased for the sample with lower grain size. All three properties: dielectric constant magnitude, Curie point shift, and FE to AFE phase transformation pressure were shown to be semi-quantitatively consistent with internal stress levels on the order of 100 MPa.

In this letter we discusses the first application of 3-dimensional nonlocal density functional calculations to the interactions of solvated rigid polymers. The three cases considered are cylindrical polymers, bead-chain polymers, and periodic polymers. We calculate potentials of mean force, and show that polymer surface structure plays a critical role in determining the solvation energy landscape which in turn controls routes to assembly of the macromolecules.

For optical fibers used in adverse environments, a carbon coating is frequently deposited on the fiber surface to prevent water and hydrogen ingression that lead respectively to strength degradation through fatigue and hydrogen-induced attenuation. The deposition of a hermetic carbon coating onto an optical fiber during the draw process holds a particular challenge when thermally-cured specialty coatings are subsequently applied because of the slower drawing rate. In this paper, we report on our efforts to improve the low-speed carbon deposition process by altering the composition and concentration of hydrocarbon precursor gases. The resulting carbon layers have been analyzed for electrical resistance, Raman spectra, coating thickness, and surface roughness, then compared to strength data and dynamic fatigue behavior.

We demonstrate for the first time anti-guided coupling of two adjacent vertical-cavity surface-emitting lasers (VCSEL's), obtaining a 1-by-2 phase-locked array at 869 nm. The lateral index modification required for anti-guiding is achieved by a patterned 3-rim etch performed between two epitaxial growths. In contrast with prior evanescently coupled VCSEL's, adjacent anti-guided VCSEL's can emit in-phase and produce a single on-axis lobe in the far field. Greater than 2 mW of in-phase output power is demonstrated with two VCSEL's separated by 8 {micro}m. Moreover, phase locking of two VCSEL's separated by 20 {micro}m is observed, indicating the possibility of a new class of optical circuits based upon VCSEL's that interact horizontally and emit vertically.

In this letter we report the growth (by MOVPE) and characterization of quaternary AlGaInN. A combination of PL, high-resolution XRD, and RBS characterizations enables us to explore and delineate the contours of equil-emission energy and lattice parameters as functions of the quaternary compositions. The observation of room temperature PL emission as short as 351nm (with 20% Al and 5% In) renders initial evidence that the quaternary could be used to provide confinement for GaInN (and possibly GaN). AlGaInN/GdnN MQW heterostructures have also been grown; both x-ray diffraction and PL measurement suggest the possibility of incorporating this quaternary into optoelectronic devices.

Sweeping algorithms have become very mature and can create a semi-structured mesh on a large set of solids. However, these algorithms require that all linking surfaces be mappable or submappable. This restriction excludes solids with imprints or protrusions on the linking surfaces. The grafting algorithm allows these solids to be swept. It then locally modifies the position and connectivity of the nodes on the linking surfaces to align with the graft surfaces. Once a high-quality surface mesh is formed on the graft surface, it is swept along the branch creating a 2 3/4-D mesh.

We present a new shape measure for tetrahedral elements that is optimal in the sense that it gives the distance of a tetrahedron from the set of inverted elements. This measure is constructed from the condition number of the linear transformation between a unit equilateral tetrahedron and any tetrahedron with positive volume. We use this shape measure to formulate two optimization objective functions that are differentiated by their goal: the first seeks to improve the average quality of the tetrahedral mesh; the second aims to improve the worst-quality element in the mesh. Because the element condition number is not defined for tetrahedral with negative volume, these objective functions can be used only when the initial mesh is valid. Therefore, we formulate a third objective function using the determinant of the element Jacobian that is suitable for mesh untangling. We review the optimization techniques used with each objective function and present experimental results that demonstrate the effectiveness of the mesh improvement and untangling methods. We show that a combined optimization approach that uses both condition number objective functions obtains the best-quality meshes.

Objective functions for unstructured hexahedral and tetrahedral mesh optimization are analyzed using matrices and matrix norms. Mesh untangling objective functions that create valid meshes are used to initialize the optimization process. Several new objective functions to achieve element invertibility and quality are investigated, the most promising being the ''condition number''. The condition number of the Jacobian matrix of an element forms the basis of a barrier-based objective function that measures the distance to the set of singular matrices and has the ideal matrix as a stationary point. The method was implemented in the Cubit code, with promising results.

Considerable progress has been made on automatic hexahedral mesh generation in recent years. Several automatic meshing algorithms have proven to be very reliable on certain classes of geometry. While it is always worth pursuing general algorithms viable on more general geometry, a combination of the well-established algorithms is ready to take on classes of complicated geometry. By partitioning the entire geometry into meshable pieces matched with appropriate meshing algorithm the original geometry becomes meshable and may achieve better mesh quality. Each meshable portion is recognized as a meshing feature. This paper, which is a part of the feature based meshing methodology, presents the work on shape recognition and volume decomposition to automatically decompose a CAD model into meshable volumes. There are four phases in this approach: (1) Feature Determination to extinct decomposition features, (2) Cutting Surfaces Generation to form the ''tailored'' cutting surfaces, (3) Body Decomposition to get the imprinted volumes; and (4) Meshing Algorithm Assignment to match volumes decomposed with appropriate meshing algorithms. The feature determination procedure is based on the CLoop feature recognition algorithm that is extended to be more general. Results are demonstrated over several parts with complicated topology and geometry.

A new method for lessening skew in mapped meshes is presented. This new method involves progressive subdivision of a surface into loops consisting of four sides. Using these loops, constraints can then be set on the curves of the surface, which will propagate interval assignments across the surface, allowing a mesh with a better skew metric to be generated.

Current hexahedral mesh generation techniques rely on a set of meshing tools, which when combined with geometry decomposition leads to an adequate mesh generation process. Of these tools, sweeping tends to be the workhorse algorithm, accounting for at least 50% of most meshing applications. Constraints which must be met for a volume to be sweepable are derived, and it is proven that these constraints are necessary but not sufficient conditions for sweepability. This paper also describes a new algorithm for detecting extruded or sweepable geometries. This algorithm, based on these constraints, uses topological and local geometric information, and is more robust than feature recognition-based algorithms. A method for computing sweep dependencies in volume assemblies is also given. The auto sweep detect and sweep grouping algorithms have been used to reduce interactive user time required to generate all-hexahedral meshes by filtering out non-sweepable volumes needing further decomposition and by allowing concurrent meshing of independent sweep groups. Parts of the auto sweep detect algorithm have also been used to identify independent sweep paths, for use in volume-based interval assignment.

Microelectromechanical Systems (MEMS) packaging is much different from conventional integrated circuit (IC) packaging. Many MEMS devices must interface to the environment in order to perform their intended function, and the package must be able to facilitate access with the environment while protecting the device. The package must also not interfere with or impede the operation of the MEMS device. The die attachment material should be low stress, and low outgassing, while also minimizing stress relaxation overtime which can lead to scale factor shifts in sensor devices. The fabrication processes used in creating the devices must be compatible with each other, and not result in damage to the devices. Many devices are application specific requiring custom packages that are not commercially available. Devices may also need media compatible packages that can protect the devices from harsh environments in which the MEMS device may operate. Techniques are being developed to handle, process, and package the devices such that high yields of functional packaged parts will result. Currently, many of the processing steps are potentially harmful to MEMS devices and negatively affect yield. It is the objective of this paper to review and discuss packaging challenges that exist for MEMS systems and to expose these issues to new audiences from the integrated circuit packaging community.

Soldering provides a cost-effective means for attaching electronic packages to circuit boards using both small scale and large scale manufacturing processes. Soldering processes accommodate through-hole leaded components as well as surface mount packages, including the newer area array packages such as the Ball Grid Arrays (BGA), Chip Scale Packages (CSP), and Flip Chip Technology. The versatility of soldering is attributed to the variety of available solder alloy compositions, substrate material methodologies, and different manufacturing processes. For example, low melting temperature solders are used with temperature sensitive materials and components. On the other hand, higher melting temperature solders provide reliable interconnects for electronics used in high temperature service. Automated soldering techniques can support large-volume manufacturing processes, while providing high reliability electronic products at a reasonable cost.

A liquid crystal (LC) and a side-chain liquid crystalline polymer (SCLCP) were tested as surface acoustic wave (SAW) vapor sensor coatings for discriminating between pairs of isomeric organic vapors. Both exhibit room temperature smectic mesophases. Temperature, electric-field, and pretreatment with self-assembled monolayers comprising either a methyl-terminated or carboxylic acid-terminated alkane thiol anchored to a gold layer in the delay path of the sensor were explored as means of affecting the alignment and selectivity of the LC and SCLCP films. Results for the LC were mixed, while those for the SCLCP showed a consistent preference for the more rod-like isomer of each isomer pair examined.

Most engineering alloys contain numerous alloying elements and their solidification behavior can not typically be modeled with existing binary and ternary phase diagrams. There has recently been considerable progress in the development of thermodynamic software programs for calculating solidification parameters and phase diagrams of multi-component systems. These routines can potentially provide useful input data that are needed in multi-component solidification models. However, these thermodynamic routines require validation before they can be confidently applied to simulations of alloys over a wide range of composition. In this article, a preliminary assessment of the accuracy of the Thermo-Calc NiFe Superalloy database is presented. The database validation is conducted by comparing calculated phase diagram quantities to experimental measurements available in the literature. Comparisons are provided in terms of calculated and measured liquidus and solidus temperatures and slopes, equilibrium distribution coefficients, and multi-component phase diagrams. Reasonable agreement is observed among the comparisons made to date. Examples are provided which illustrate how the database can be used to approximate the solidification sequence and final segregation patterns in multi-component alloys. An additional example of the coupling of calculated phase diagrams to solute redistribution computations in a commercial eight component Ni base superalloy is also presented.

Analytical expressions used to optimize AR coatings for single junction solar cells are extended for use in monolithic, series interconnected multi-junction solar cell AR coating design. The result is an analytical expression which relates the solar cell performance (through J{sub sc}) directly to the AR coating design through the device reflectance. It is also illustrated how AR coating design be used to provide an additional degree of freedom for current matching multi-junction devices.

The C49 to C54 TiSi{sub 2} transformation temperature is shown to be reduced by increasing the ramp rate during rapid thermal processing and this effect is more pronounced for thinner initial Ti and Ti(Ta) films. Experiments were performed on blanket wafers and on wafers that had patterned polycrystalline Si lines with Si{sub 3}N{sub 4} sidewall spacers. Changing the ramp rate caused no change in the transformation temperature for 60 nm blanket Ti films. For blanket Ti films of 25 or 40 nm, however, increasing the ramp rate from 7 to 180 C/s decreased the transformation temperature by 15 C. Studies of patterned lines indicate that sheet resistance of narrow lines is reduced by increased ramp rates for both Ti and Ti(Ta) films, especially as the linewidths decrease below 0.4 {micro}m. This improvement is particularly pronounced for the thinnest Ti(Ta) films, which exhibited almost no linewidth effect after being annealed with a ramp rate of 75 C/s.

The design, fabrication and characterization of a low-voltage rotary stepper motor are presented in this work. Using a five-level polysilicon MEMS technology, steps were taken to increase the capacitance over previous stepper motor designs to generate high torque at low voltages. A low-friction hub was developed to minimize frictional loads due to rubbing surfaces, producing an estimated resistive torque of about 6 pN-m. This design also allowed investigations into the potential benefit of using hard materials such as silicon nitride for lining of both the stationary and rotating hub components. The result is an electrostatic stepper motor capable of operation at less than six volts.

Scanning capacitance microscopy (SCM) was used to study the cross section of an operating p-channel MOSFET. We discuss the novel test structure design and the modifications to the SCM hardware that enabled us to perform SCM while applying dc bias voltages to operate the device. The results are compared with device simulations performed with DAVINCI.

NIST and Sandia have developed a procedure for producing and calibrating critical dimension (CD), or linewidth, reference materials. These reference materials will be used to calibrate metrology instruments used in semiconductor manufacturing. The artifacts, with widths down to 100 nm, are produced in monocrystalline silicon with all feature edges aligned to specific crystal planes. A two-part calibration of these linewidths is used: the primary calibration, with accuracy to within a few lattice plane thicknesses, is accomplished by counting the lattice planes across the sample as-imaged through use of high-resolution transmission electron microscopy (HRTEM). The secondary calibration is the high-precision electrical CD technique. NIST and Sandia are developing critical dimension (CD), or linewidth, reference materials for use by the semiconductor industry. To meet the current requirements of this rapidly changing industry, the widths of the reference features must be at or below the widths of the finest features in production and/or development. Further, these features must produce consistent results no matter which metrology tool (e.g., scanning electron microscope, scanned probe microscope, electrical metrology) is used to make the measurement. This leads to a requirement for the samples to have planar surfaces, known sidewall angles, and uniform material composition. None of the production techniques in use in semiconductor manufacturing can produce features with all these characteristics. In addition, requirements specified in the National Technology Roadmap for Semiconductors indicate that the width of the feature must be accurately calibrated to approximately 1-2 nm, a value well beyond the current capabilities of the instruments used for semiconductor metrology.

Concerning the mitigation of high pressure core melt scenarios, the design objective for future PWRS is to transfer high pressure core melt to low pressure core melt sequences, by means of pressure relief valves at the primary circuit, with such a discharge capacity to limit the pressure in the reactor coolant system to less than 20 bar. Studies have shown that in late in-vessel reflooding scenarios there may be a time window where the pressure is indeed in this range, at the moment of the reactor vessel rupture. It has to be verified that large quantities of corium released from the vessel after failure at pressures <20 bar cannot be carried out of the reactor pit, because the melt collecting and cooling concept of future PWRs would be rendered useless. Existing experiments investigated the melt dispersal phenomena in the context of the DCH resolution for existing power plants in the USA, most of them having cavities with large instrument tunnels leading into subcompartments. For such designs, breaches with small cross sections at high vessel failure pressures had been studied. However, some present and future European PWRs have an annular cavity design without a large pathway out of the cavity other than through the narrow annular gap between the RPV and the cavity wall. Therefore, an experimental program was launched, focusing on the annular cavity design and low pressure vessel failure. The first part of the program comprises two experiments which were performed with thermite melt steam and a prototypic atmosphere in the containment in a scale 1:10. The initial pressure in the RPV-model was 11 and 15 bars, and the breach was a hole at the center of the lower head with a scaled diameter of 100 cm and 40 cm, respectively. The main results were: 78% of melt mass were ejected out of the cavity with the large hole and 21% with the small hole; the maximum pressures in the model containment were 6 bar and 4 bar, respectively. In the second part of the experimental program a detailed investigation of geometry effects is being carried out. The test facility DISCO-C has been built for performing dispersion experiments with cold simulant materials in a 1/18 scale. The fluids are water or bismuth alloy instead of melt, and nitrogen or helium instead of steam.

The couplings among chemical reaction rates, advective and diffusive transport in fractured media or soils, and changes in hydraulic properties due to precipitation and dissolution within fractures and in rock matrix are important for both nuclear waste disposal and remediation of contaminated sites. This paper describes the development and application of LEHGC2.0, a mechanistically-based numerical model for simulation of coupled fluid flow and reactive chemical transport including both fast and slow reactions invariably saturated media. Theoretical bases and numerical implementations are summarized, and two example problems are demonstrated. The first example deals with the effect of precipitation-dissolution on fluid flow and matrix diffusion in a two-dimensional fractured media. Because of the precipitation and decreased diffusion of solute from the fracture into the matrix, retardation in the fractured medium is not as large as the case wherein interactions between chemical reactions and transport are not considered. The second example focuses on a complicated but realistic advective-dispersive-reactive transport problem. This example exemplifies the need for innovative numerical algorithms to solve problems involving stiff geochemical reactions.

We report the growth of InSb on GaAs using InAlSb buffers of high interest for magnetic field sensors. We have grown samples by metal-organic chemical vapor deposition consisting of {approximately} 0.55 {micro}m thick InSb layers with resistive InAlSb buffers on GaAs substrates with measured electron nobilities of {approximately}40,000 cm{sup 2}/V.s. We have investigated the In{sub 1{minus}x}Al{sub x}Sb buffers for compositions x{le}0.22 and have found that the best results are obtained near x=0.12 due to the tradeoff of buffer layer bandgap and lattice mismatch.