Publications

Bis(cyclopentadienyl)magnesium (MgCp2) is used commonly as a source for doping nitride materials with magnesium. Increased oxygen incorporation known to accompany the use of MgCp2 makes the purity of this precursor an important consideration in nitride CVD. Gas chromatography-mass spectroscopy (GCMS) methods have now been developed for the identification of volatile impurities in MgCp2. Diethylether, an oxygen containing organic compound (CH 3CH2OCH2CH3), and additional organic impurities were found in the MgCp2 supplied by three manufacturers. Subsequent refinements in the synthetic processes by these companies have resulted in the availability of MgCp2 free of ether and other organic impurities as determined by GCMS.

Metal-reinforced Al2-O3-matrix composites were prepared using reactive hot pressing. The volume fraction of the reinforcing phase was controlled by the stoichiometry of the particular displacement reaction used. Dense Al2O3-Ni and Al2O3-Nb composites were fabricated using this technique. The best combination of strength, 610 MPa, and toughness, 12 MPam 1/2 , was found for the Al2O3-Ni composites. Indentation cracks and fracture surfaces showed evidence of ductile deformation of the Ni phase. The Al2O3-Nb composites had high strength, but the toughness was lower than expected due to the poor bonding between the Nb and Al2O3 phases.

Industrial, military, medical, and research and development applications of lasers frequently require a beam with a specified irradiance distribution in some plane. A common requirement is a laser profile that is uniform over some cross-section. Such applications include laser/material processing, laser material interaction studies, fiber injection systems, optical data/image processing, lithography, medical applications, and military applications. Laser beam shaping techniques can be divided in to three areas: apertured beams, field mappers, and multi-aperture beam integrators. An uncertainty relation exists for laser beam shaping that puts constraints on system design. In this paper we review the basics of laser beam shaping and present applications and limitations of various techniques.

Ongoing hydrothermal Cs-Ti-Si-O-H2O phase investigations has produced several new ternary phases including a novel microporous Cs-silicotitanate molecular sieve, SNL-B with the approximate formula of Cs3TiSi3O9.5 · 3H2O SNL-B is only the second molecular sieve, Cs-silicotitanate phase reported to have been synthesized by hydrothermal methods. Crystallites are very small (0.1 x 2 μm2) with a blade-like morphology. SNL-B is confirmed to be a three-dimensional molecular sieve by a variety of characterization techniques (N2 adsorption, ion exchange, water adsorption/desorption, solid state cross polarization-magic angle spinning nuclear magnetic resonance). SNL-B is able to desorb and adsorb water from its pores while retaining its crystal structure and exchanges Cs cations readily. Additional techniques were used to describe fundamental properties (powder X-ray diffraction, FTIR, 29Si and 133Cs MAS NMR, DTA, SEM/EDS, ion selectivity, and radiation stability). The phase relationships of metastable SNL-B to other hydrothermally synthesized Cs-Ti-Si-O-H2O phases are discussed, particularly its relationship to a Cs-silicotitanate analogue of pharmacosiderite, and a novel condensed phase, a polymorph of Cs2TiSi6O15 (SNL-A). (C) 2000 Elsevier Science B.V. All rights reserved. Ongoing hydrothermal Cs-Ti-Si-O-H2O phase investigations has produced several new ternary phases including a novel microporous Cs-silicotitanate molecular sieve, SNL-B with the approximate formula of Cs3TiSi3O9.5·3H2O. SNL-B is only the second molecular sieve, Cs-silicotitanate phase reported to have been synthesized by hydrothermal methods. Crystallites are very small (0.1×2 μm2) with a blade-like morphology. SNL-B is confirmed to be a three-dimensional molecular sieve by a variety of characterization techniques (N2 adsorption, ion exchange, water adsorption/desorption, solid state cross polarization-magic angle spinning nuclear magnetic resonance). SNL-B is able to desorb and adsorb water from its pores while retaining its crystal structure and exchanges Cs cations readily. Additional techniques were used to describe fundamental properties (powder X-ray diffraction, FTIR, 29Si and 133Cs MAS NMR, DTA, SEM/EDS, ion selectivity, and radiation stability). The phase relationships of metastable SNL-B to other hydrothermally synthesized Cs-Ti-Si-O-H2O phases are discussed, particularly its relationship to a Cs-silicotitanate analogue of pharmacosiderite, and a novel condensed phase, a polymorph of Cs2TiSi6O15 (SNL-A).

In this article we concisely present several modern strategies that are applicable to drift-dominated carrier transport in higher-order deterministic models such as the drift-diffusion, hydrodynamic, and quantum hydrodynamic systems. The approaches include extensions of `upwind' and artificial dissipation schemes, generalization of the traditional Scharfetter-Gummel approach, Petrov-Galerkin and streamline-upwind Petrov Galerkin (SUPG), `entropy' variables, transformations, least-squares mixed methods and other stabilized Galerkin schemes such as Galerkin least squares and discontinuous Galerkin schemes. The treatment is representative rather than an exhaustive review and several schemes are mentioned only briefly with appropriate reference to the literature. Some of the methods have been applied to the semiconductor device problem while others are still in the early stages of development for this class of applications. We have included numerical examples from our recent research tests with some of the methods. A second aspect of the work deals with algorithms that employ unstructured grids in conjunction with adaptive refinement strategies. The full benefits of such approaches have not yet been developed in this application area and we emphasize the need for further work on analysis, data structures and software to support adaptivity. Finally, we briefly consider some aspects of software frameworks. These include dial-an-operator approaches such as that used in the industrial simulator PROPHET, and object-oriented software, support such as those in the SANDIA National Laboratory framework SIERRA.

The need to register data is abundant in applications such as: world modeling, part inspection and manufacturing, object recognition, pose estimation, robotic navigation, and reverse engineering. Registration occurs by aligning the regions that are common to multiple images. The largest difficulty in performing this registration is dealing with outliers and local minima while remaining efficient. A commonly used technique, iterative closest point, is efficient but is unable to deal with outliers or avoid local minima. Another commonly used optimization algorithm, simulated annealing, is effective at dealing with local minima but is very slow. Therefore, the algorithm developed in this paper is a hybrid algorithm that combines the speed of iterative closest point with the robustness of simulated annealing. Additionally, a robust error function is incorporated to deal with outliers. This algorithm is incorporated into a complete modeling system that inputs two sets of range data, registers the sets, and outputs a composite model.

Sandia National Laboratories has learned through their process of technology transfer that not all high tech transfers are alike. They are not alike by the nature of the customers involved, the process of becoming involved with these customers and finally and most importantly the very nature of the technology itself. Here, the authors focus on technology transfer in the microsystems arena and specifically the sacrificial surface version of microsystems. They have learned and helped others learn that many MEMS applications are best realized through the use of surface micromachining (SMM). This is because SMM builds on the substantial integrated circuit industry. In this paper, the authors review Sandia's process for transferring a disruptive MEMS technology in numerous cases.

Sandia National Laboratories has been studying Energy Storage Systems since the late 1970s. To identify applications of energy storage, a two-phase Opportunities Analysis was conceptualized in FY94. Phase I of the project was completed and published in 1995. Phase II of the project is an extension of Phase I to reexamine the identified applications in the dynamic environment of today.

Vertical cavity surface emitting lasers (VCSELs) which operate in multiple transverse optical modes have been rapidly adopted into present data communication applications which rely on multi-mode optical fiber. However, operation only in the fundamental mode is required for free space interconnects and numerous other emerging VCSEL applications. Two device design strategies for obtaining single mode lasing in VCSELs based on mode selective loss or mode selective gain are reviewed and compared. Mode discrimination is attained with the use of a thick tapered oxide aperture positioned at a longitudinal field null. Mode selective gain is achieved by defining a gain aperture within the VCSEL active region to preferentially support the fundamental mode. VCSELs which exhibit greater than 3 mW of single mode output power at 850 nm with mode suppression ratio greater than 30 dB are reported.

Polysilsesquioxane foams and gels of the formula (RSiO1.5)n were produced via the catalytic an stoichiometric redistribution of organohydridosiloxanes. The extent of reaction was followed by both infrared (IR) and solid state NMR spectroscopy, following the disappearance of the SiH in the starting oligosiloxane.

An overview is given on the current status of three-dimensional (3D) photonic crystals. The realization of new 3d photonic crystal structures, the creation of high Q microcavities and the building of waveguide bends are presented. These devices form the basic building blocks for applications in signal processing and low threshold lasers.

The Waste Isolation Pilot Plant was licensed for disposal of transuranic wastes generated by the US Department of Energy. The facility consists of a repository mined in a bedded salt formation, approximately 650 m below the surface. Regulations promulgated by the US Environmental Protection Agency require that performance assessment calculations for the repository include the possibility that an exploratory drilling operation could penetrate the waste disposal areas at some time in the future. Release of contaminated solids could reach the surface during a drilling intrusion. One of the mechanisms for release, known as spallings, can occur if gas pressures in the repository exceed the hydrostatic pressure of a column of drilling mud. Calculation of solids releaes for spallings depends critically on the conceptual models for the waste, for the spallings process, and assumptions regarding driller parameters and practices. This paper presents a review of the evolution of these models during the regulatory review of the Compliance Certification Application for the repository. A summary and perspectives on the implementation of conservative assumptions in model development are also provided.

Laser deposits fabricated from two different compositions of 304L stainless steel powder were characterized to determine the nature of the solidification and solid state transformations. One of the goals of this work was to determine to what extent novel microstructures consisting of single-phase austenite could be achieved with the thermal conditions of the LENS process. Although ferrite-free deposits were not obtained, structures with very low ferrite content were achieved. It appeared that, with slight changes in alloy composition, this goal could be met via two different solidification and transformation mechanisms.

A measurement system's components: cabling, delay line, waveform recorder, etc., degrade acquired signals and their respective bandlimited frequency responses. Compensation software corrects for this frequency-dependent spectral degradation by deconvolving the transfer function of the entire measurement system out of the measured signal spectra. This report describes methods to transfer the characteristics of a wide bandwidth repetitive sampling oscilloscope to a single-shot transient digitizer, characterize the measurement system, develop a cascaded transition-band filter, and compensate data acquired with the filtered, characterized measurement system. These procedures are easily implemented, execute quickly, and successfully compensate waveforms possessing endpoint discontinuities. Waveforms possessing endpoint discontinuities are made to appear duration-limited and continuous. The spectra for these modified waveforms are correct, including at dc. The deconvolution process introduces unavoidable noise. Filtering is applied to reduce the deconvolution noise while minimally affecting compensated waveform risetime and amplitude. Resultant compensated data retains its initial dc baseline offset with improved waveform fidelity and low noise of deconvolution.

A literature survey and technical evaluation was carried out of past and present battery technologies with the goal of identifying appropriate candidates for use in geothermai borehole and, to a lesser extend, oil/gas boreholes. The various constraints that are posed by such an environment are discussed. The promise as well as the limitations of various candidate technologies are presented. Data for limited testing of a number of candidate systems are presented and the areas for additional future work are detailed. The use of low-temperature molten salts shows the most promise for such applications and includes those that are liquid at room temperature. The greatest challenges are to develop an appropriate electrochemical couple that is kinetically stable with the most promising electrolytes-both organic as well as inorganic- over the wide operating window that spans both borehole environments. © 2000 by the American Institute of Aeronautics and Astronautics, Inc. All rights reserved.

Valve-Regulated Lead-Acid (VRLA) batteries continue to be employed in a wide variety of applications for telecommunications and Uninterruptible Power Supply (UPS). With the rapidly growing penetration of Internet services, the requirements for standby power systems appear to be changing. For example, at last year's INTELEC, high voltage standby power systems up to 300-vdc were discussed as alternatives to the traditional 48-volt power plant. At the same time, battery reliability and the sensitivity of VRLAs to charging conditions (e.g., in-rush current, float voltage and temperature), continue to be argued extensively. Charge regimes which provide 'off-line' charging or intermittent charge to the battery have been proposed. Some of these techniques go against the widely accepted rules of operation for batteries to achieve optimum lifetime. Experience in the telecom industry with high voltage systems and these charging scenarios is limited. However, GNB has several years of experience in the installation and operation of large VRLA battery systems that embody many of the power management philosophies being proposed. Early results show that positive grid corrosion is not accelerated and battery performance is mantained even when the battery is operated at a partial state-of-charge for long periods of time.

The Accelerated Strategic Computing Initiative (ASCI) computational grid is being constructed to interconnect the high performance computing resources of the nuclear weapons complex. The grid will simplify access to the diverse computing, storage, network, and visualization resources, and will enable the coordinated use of shared resources regardless of location. To match existing hardware platforms, required security services, and current simulation practices, the Globus MetaComputing Toolkit was selected to provide core grid services. The ASCI grid extends Globus functionality by operating as an independent grid, incorporating Kerberos-based security, interfacing to Sandia's Cplant™, and extending job monitoring services. To fully meet ASCI's needs, the architecture layers distributed work management and criteria-driven resource selection services on top of Globus. These services simplify the grid interface by allowing users to simply request "run code X anywhere". This paper describes the initial design and prototype of the ASCI grid.

A collision model for the Direct Simulation Monte Carlo (DSMC) method is presented. The collision model is based on the BGK equation and makes use of the Cercignani ellipsoidal distribution to incorporate the effects of heat conductivity. Results obtained by the DSMC method and its BGK and BGKC modifications for a 10° wedge and a flat plate are presented and discussed. © 2000 by Sandia Corporation.

We have developed a stochastic model for the power generated by a photovoltaic (PV) power supply system that includes a rechargeable energy storage device. The ultimate objective of this work is to integrate this photovoltaic generator along with other generation sources to perform power flow calculations to estimate the reliability of different electricity grid configurations. For this reason, the photovoltaic power supply model must provide robust, efficient realizations of the photovoltaic electricity output under a variety of conditions and at different geographical locations. This has been achieved by use of a Karhunen-Loeve framework to model the solar insolation data. The capacity of the energy storage device, in this case a lead-acid battery, is represented by a deterministic model that uses an artificial neural network to estimate the reduction in capacity that occurs over time. When combined with an appropriate stochastic load model, all three elements yield a stochastic model for the photovoltaic power system. This model has been operated on the Monte Carlo principle in stand-alone mode to infer the probabilistic behavior of the system. In particular, numerical examples are shown to illustrate the use of the model to estimate battery life. By the end of one year of operation, there is a 50% probability for the test case shown that the battery will be at or below 95% of initial capacity. © 2000 by the American Institute of Aeronautics and Astronautics, Inc. All rights reserved.

This paper presents an investigation of a technique for using two-dimensional bodies composed of simple polygons with a body-decoupled uniform Cartesian grid in the Direct Simulation Monte Carlo method (DSMC). The method employs an automated grid preprocessing scheme beginning from a CAD geometry definition file, and is based on polygon triangulation using a trapezoid algorithm. A particle-body intersection time comparison is presented between the Icarus DSMC code using a body-fitted structured grid, and using a structured body-decoupled Cartesian grid with both linear and logarithmic search techniques. A comparison of neutral flow over a cylinder is presented using the structured body fitted grid, and the Cartesian body de-coupled grid.

In this paper we describe a high amplitude electrostatic drive for surface micromachined mechanical oscillators that may be suitable for vibratory gyroscopes. It is an advanced design of a previously reported dual mass oscillator (Dyck, et. al., 1999). The structure is a 2 degree-of-freedom, parallel-plate driven motion amplifier, termed the secondary mass drive oscillator (SMD oscillator). During each cycle the device contacts the drive plates, generating large electrostatic forces. Peak-to-peak amplitudes of 54 μm have been obtained by operating the structure in air with an applied voltage of 11 V. We describe the structure, present the analysis and design equations, and show recent results that have been obtained, including frequency response data, power dissipation, and out-of-plane motion.

The Transferable Potentials for Phase Equilibria-United Atom (TraPPE-UA) force field for hydrocarbons is extended to alkenes and alkylbenzenes by introducing the following pseudo-atoms: CH2(sp2), CH(sp2), C(sp2), CH(aro), R-C(aro) for the link to aliphatic side chains and C(aro) for the link of two benzene rings. In this united-atom force field, the nonbonded interactions of the hydrocarbon pseudo-atoms are solely governed by Lennard-Jones 12-6 potentials, and the Lennard-Jones well depth and size parameters for the new pseudo-atoms were determined by fitting to the single-component vapor-liquid-phase equilibria of a few selected model compounds. Configurational-bias Monte Carlo simulations in the NVT version of the Gibbs ensemble were carried out to calculate the single-component vapor-liquid coexistence curves for ethene, propene, 1-butene, trans- and cis-2-butene, 2-methylpropene, 1,5-hexadiene, 1-octene, benzene, toluene, ethylbenzene, propylbenzene, isopropylbenzene, o-, m-, and p-xylene, and naphthalene. The phase diagrams for the binary mixtures of (supercritical) ethene/n-heptane and benzene/n-pentane were determined from simulations in the NpT Gibbs ensemble. Although the TraPPE-UA force field is rather simple and makes use of relatively few different pseudo-atoms, its performance, as judged by comparisons to other popular force fields and available experimental data, is very satisfactory.

Verification and validation are the primary means to assess accuracy and reliability in computational simulations. This paper presents an extensive review of the literature in computational validation and develops a number of extensions to existing ideas. We discuss the early work in validation by the operations research, statistics, and CFD communities. The emphasis in our review is to bring together the diverse contributors to validation methodology and procedures. The disadvantages of standard practice of qualitative graphical validation are pointed out and the arguments for and the literature on validation quantification are presented. We discuss the attributes of a beneficial validation experiment hierarchy and then we give an example for a complex system; a hypersonic cruise missile. We present six recommended characteristics of how a validation experiment is designed, executed, and analyzed. Since one of the key features of a validation experiment is a careful experimental uncertainty estimation analysis, we discuss a statistical procedure that has been developed for improving the estimation of experimental uncertainty. One facet of code verification, the estimation of computational error and uncertainty, is discussed in some detail, but we do not address many other important issues in code verification. We argue for the separation of the concepts of error and uncertainty in computational simulations. Error estimation, primarily that due to numerical solution error, is discussed with regard to its importance in validation. In the same vein, we explain the need to move toward nondeterministic simulations in CFD validation, that is, the propagation of input quantity uncertainty in CFD simulations which yield probabilistic output quantities. We discuss the relatively new concept of validation quantification, also referred to as validation metrics. The inadequacy, in our view, of hypothesis testing in computational validation is discussed. We close the paper by presenting our ideas on validation metrics and we apply them to two conceptual examples. © 2000 The American Institute of Aeronautics and Astronautics Inc.

A number of one- and two-equation turbulence models are examined for hypersonic perfect- and real-gas flows with laminar, transitional, and turbulent flow regions. These models were generally developed for incompressible flows, and the extension to the hypersonic flow regime is discussed. In particular, inconsistencies in the formulation of diffusion terms for one-equation models are examined. For the Spalart-Allmaras model, the standard method for forcing transition at a specified location is found to be inadequate for hypersonic flows. An alternative transition method is proposed and evaluated for a Mach 8 flat plate test case. This test case is also used to evaluate three different two-equation turbulence models:.a low Reynolds number k - ε model, the Menter k-ω formulation, and the Wilcox (1998) k -ω model. These one- and two-equation models are then applied to the Mach 20 Reentry F flight vehicle. The Spalart-Allmaras model and both k-ω formulations are found to provide good agreement with the flight data for heat flux, while the Baldwin-Barth and low Reynolds number k - ε models overpredict the turbulent heating rates. Careful attention is given to solution verification in the areas of both iterative and grid convergence. © protection in the United States.

Preconcentration is a critical analytical procedure when designing a microsystem for trace chemical detection, because it can purify a sample mixture and boost the small analyte concentration to a much higher level allowing a better analysis. This paper describes the development of a micro-fabricated planar preconcentrator for the μChemLab™ at Sandia. To guide the design, an analytical model to predict the analyte transport, adsorption and desorption process in the preconcentrator has been developed. Experiments have also been conducted to analyze the adsorption and desorption process and to validate the model. This combined effort of modeling, simulation, and testing has led us to build a reliable, efficient preconcentrator with good performance.

A study of zeolite crystallization from sol-gel precursors using the vapor phase transport synthesis method has been performed. Zeolites (ZSM-5, ZSM-48, zeolite P, and sodalite) were crystallized by contacting vapor phase organic or organic-water mixtures with dried sodium silicate and dried sodium alumino-silicate gels. For each precursor gel, a ternary phase system of vapor phase organic reactant molecules was explored. The vapor phase reactant mixtures ranged from pure ethylene diamine, triethylamine, or water, to an equimolar mixture of each. In addition, a series of gels with varied physical and chemical properties were crystallized using the same vapor phase solvent mixture for each gel. The precursor gels and the crystalline products were analyzed via scanning electron microscopy, electron dispersive spectroscopy, X-ray mapping, powder X-ray diffraction, nitrogen surface area, Fourier transform infrared spectroscopy, and thermal analyses. The product phase and purity as a function of the solvent mixture, precursor gel structure, and precursor gel chemistry is discussed.

The accuracy of solar cells calibrated as primary reference cells is directly dependent on the accuracy of the pyrheliometer used to measure the direct beam solar irradiance on the cell. Pyrheliometers are also used in measuring performance of concentrating photovoltaic modules. In order to reduce errors in photovoltaic performance measurements, we have investigated the calibration uncertainties for pyrheliometers from two manufacturers. Our calibration comparisons are relative to an absolute cavity radiometer traceable to the World Radiometric Reference. This paper quantifies the effects of aging, temperature, time-rate-of-change of temperature, wind, solar spectral shifts, linearity, window transmission, and solar tracking on pyrheliometer calibrations. Uncertainty remaining after accounting for these factors is 0.8% at the 2-sigma level.

The objective of this study was to investigate the technology used by Spectrolab Inc. to manufacture photovoltaic modules that have provided twenty years of reliable service at Natural Bridges National Monument in southeastern Utah. A field survey, system performance tests, and a series of module and materials tests have confirmed the durability of the modules in the array. The combination of manufacturing processes, materials, and quality controls used by Spectrolab resulted in modules that have maintained a performance level close to the original specifications for twenty years. Specific contributors to the durability of the modules included polyinyl-butyral (PVB) encapsulant, expanded metal interconnects, silicon oxide anti-reflective coating, and excellent solder/substrate solderability.

A new valve regulated lead-acid (VRLA) gel motive power battery and PV system power center have been tested in the laboratory and at a PV hybrid telecommunication site. The power center provides battery charge control, system remote communications, and data acquisition at the field test site. Extensive laboratory and field-test data were used to improve battery performance by optimizing regulation voltages, finish-charge, and system design. After 1.5-years of service, battery and charge controller performance have met all performance requirements for the remote communications site at Sandia National Laboratories.

The bulk electrical anisotropy of sedimentary formations is a macroscopic phenomenon whic h can result from the presence of sand/shale laminae and varations in grain size and pore space. Accounting for its effects on induction log response is an ongoing research problem for the w ell-logging communit y since these types of sedimentary stuctures have long been correlated with productive hydrocarbon reservoirs. Presented here is a finite difference method for sim ulatingEM induction in a fully 3D anisotropic medium. This w ork differs from previous modeling efforts in that the electrical conductivity of the formation is represented as a full 3×3 tensor whose elements can vary arbitrarily with position throughout the formation. As an example, we simulate borehole induction tool responses in a crossbedded eolian sandstone to demonstrate the challenge faced by interpreters when electrical anisotropy is neglected.

Photovoltaic (PV) power systems, like other electrical systems, may be subject to unexpected ground faults. Installed PV systems always have invisible elements other than those indicated by their electrical schematics. Stray inductance, capacitance and resistance are distributed throughout the system. Leakage currents associated with the PV modules, the interconnected array, wires, surge protection devices and conduit add up and can become large enough to look like a ground-fault. PV systems are frequently connected to other sources of power or energy storage such as batteries, standby generators, and the utility grid. This complex arrangement of distributed power and energy sources, distributed impedance and proximity to other sources of power requires sensing of ground faults and proper reaction by the ground-fault protection devices. The different dc grounding requirements (country to country) often add more confusion to the situation. This paper discusses the ground-fault issues associated with both the dc and ac side of PV systems and presents test results and operational impacts of backfeeding commercially available ac ground-fault protection devices under various modes of operation. Further, the measured effects of backfeeding the tripped ground-fault devices for periods of time comparable to anti-islanding allowances for utility interconnection of PV inverters in the United States are reported.

Triple junction InGaP/GaAs/Ge solar cells are highly current mismatched due to the excess current generating capability of the germanium subcell. This severe current mismatch invites new approaches for increasing performance beyond that of current triple junctions. Presented here are two approaches for improving the efficiency of III-V multi-junctions beyond that of current triple junction technology. Both of these approaches involve the use of thin epitaxial germanium and do not require the development of new ∼1eV photovoltaic materials. The theoretical AM0 efficiency is over 30%. Modeling suggests the potential for over 1.5% absolute efficiency gain with respect to current InGaP/GaAs/Ge triple junction solar cells.

Sub-wavelength periodic texturing (gratings) of crystalline-silicon (c-Si) surfaces for solar cell applications can be designed for maximizing optical absorption in thin c-Si films. We have investigated c-Si grating structures using rigorous modeling, hemispherical reflectance, and internal quantum efficiency measurements. Model calculations predict almost ∼ 100 % energy coupling into obliquely propagating diffraction orders. By fabrication and optical characterization of a wide range of ID & 2D c-Si grating structures, we have achieved broadband, low (∼ 5 %) reflectance without an anti-reflection film. By integrating grating structures into conventional solar cell designs, we have demonstrated short-circuit current density enhancements of 3.4 and 4.1 mA/cm2 for rectangular and triangular 1D grating structures compared to planar controls. The effective path length enhancements due to these gratings were 2.2 and 1.7, respectively. Optimized 2D gratings are expected to have even better performance.

A maskless plasma texturing technique using Reactive Ion Etching for silicon solar cells results in a very low reflectance of 5.4 % before, and 3.9 % after SiN deposition. A detailed study of surface recombination and emitter properties was made, then solar cells were fabricated using the DOSS solar cell process. Different plasma-damage removal treatments are tested to optimize low lifetime solar cell efficiencies. Highest efficiencies are observed for little or no plasma-damage removal etching on mc-Si. Increased Jsc due to the RIE texture proved superior to a single layer anti-reflection coating. This indicates that RIE texturing is a promising texturing technique, especially applicable on lower lifetime (multicrystalline) silicon. The use of non-toxic, non-corrosive SF6 makes this process attractive for mass production.

The contact adhesive forces between two surfaces, one being a soft hemisphere and the other being a hard plate, can readily be determined by applying an external compressive load to mate the two surfaces and subsequently applying a tensile load to peel the surfaces apart. The contact region is assumed the superposition of elastic Hertzian pressure and of the attractive surface forces that act only over the contact area. What are the effects of the degree of surface contamination on adhesive forces? Clean aluminum surfaces were coated with hexadecane as a controlled contaminant. The force required to pull an elastomeric hemisphere from a surface was determined by contact mechanics, via the JKR model, using a model siloxane network for the elastomeric contact sphere. Due to the dispersive nature of the elastomer surface, larger forces were required to pull the sphere from a contaminated surface than a clean aluminum oxide surface.

A new class of semiconductor laser is presented that does not require p-n junctions. Spectral narrowing, lasing thresholds, beam divergence, temporal narrowing, and energies are shown for these lasers based on current filaments in bulk GaAs.

Some materials may naturally form discontinuities such as cracks as a result of deformation. As an aid to the modeling of such materials, a new framework for the basic equations of continuum mechanics, called the 'peridynamic' formulation, is proposed. The propagation of linear stress waves in the new theory is discussed, and wave dispersion relations are derived. Material stability and its connection with wave propagation is investigated. It is demonstrated by an example that the reformulated approach permits the solution of fracture problems using the same equations either on or off the crack surface or crack tip. This is an advantage for modeling problems in which the location of a crack is not known in advance. © 1999 Elsevier Science Ltd. All rights reserved.

Trapped protons and electrons in the Earth's radiation belts and cosmic rays present significant challenges for electronics that must operate reliably in the natural space environment. Single event effects (SEE) can lead to sudden device or system failure, and total dose effects ran reduce the lifetime of a space-based telecommunications system. One of the greatest sources of uncertainty in developing radiation requirements for a space system is accounting for the small but finite probability that the system will be exposed to a massive solar particle event. Once specifications are decided, standard laboratory tests are available to predict the total dose response of MOS and bipolar components in space, but SEE testing of components can be more challenging. Prospects are discussed for device modeling and for the use of standard commercial electronics in space. © 1999 IEEE.

A long-standing conjecture in combinatorial optimization says that the integrality gap of the famous Held-Karp relaxation of the symmetric TSP is precisely 4/3. In this paper, we show that a slight strengthening of this conjecture implies a tight 4/3 integrality gap for a linear programming relaxation of the asymmetric TSP. This is surprising since no constant-factor approximation is known for the latter problem. Our main tools are a new characterization of the integrality gap for linear objective functions over polyhedra, and the isolation of `hard-to-round' solutions of the relaxations.

A capacitated covering integer programs (IP) is an integer program of the form min{cx|Ux≥d, 0≤x≤b, x∈Z+}, where all entries of c, U and d are nonnegative. Given such a formulation, the ratio between the optimal integer solution and the optimal solution to the linear program relaxation can be as bad as ∥d∥, even when U consists of a single row. It is shown that by adding additional inequalities, this ratio can be improved significantly. In the general case, the improved ratio is shown to be bounded by the maximum number of non-zero coefficients in a row of U, and a polynomial-time approximation is proved to achieve this bound.

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/cm2 on a partially confined 8.8-cm diameter by 15-cm long right circular cylinder of foam that contained an encapsulated component. Predictions of internal foam and component temperatures, as well as regression of the foam surface, were in agreement with measurements using thermocouples and X-ray imaging.

An algorithm known as SMAC (Synthesize Modes And Correlate), based on principles of modal filtering, has been in development for a few years. The new capabilities of the automated version are demonstrated on test data from a complex shell/payload system. Examples of extractions from impact and shaker data are shown. The automated algorithm extracts 30 to 50 modes in the bandwidth from each column of the frequency response function matrix. Examples of the synthesized Mode Indicator Functions (MIFs) compared with the actual MIFs show the accuracy of the technique. A data set for one input and 170 accelerometer outputs can typically be reduced in an hour. Application to a test with some complex modes is also demonstrated.

The spectacular progress made during the last few years in reaching high energy densities in fast implosions of annular current sheaths (fast Z pinches) opens new possibilities for a broad spectrum of experiments, from x-ray generation to controlled thermonuclear fusion and astrophysics. At present Z pinches are the most intense laboratory x-ray sources (1.8 MJ in 5 ns from a volume 2 mm in diameter and 2 cm tall). Powers in excess of 200 TW have been obtained. This warrants summarizing the present knowledge of physics that governs the behavior of radiating, current-carrying plasma in fast Z pinches. This survey covers essentially all aspects of the physics of fast Z pinches: initiation, instabilities of the early stage, magnetic Rayleigh-Taylor instability in the implosion phase, formation of a transient quasiequilibrium near the stagnation point, and rebound. Considerable attention is paid to the analysis of hydrodynamic instabilities governing the implosion symmetry. Possible ways of mitigating these instabilities are discussed. Nonmagnetohydrodynamic effects (anomalous resistivity, generation of particle beams, etc.) are summarized. Various applications of fast Z pinches are briefly described. Scaling laws governing development of more powerful Z pinches are presented.

Important factors in the application of sensing technology to space applications are low mass, small size, and low power. All of these attributes are enabled by the application of MEMS and micro-fabrication technology to micro-sensors. Two types of sensors are utilized in space applications: remotes sensing from orbit around the earth or another planetary body, and point sensing in the spacecraft or external to it. Several Sandia projects that apply microfabrication technologies to the development of new sensing capabilities having the potential for space applications will be briefly described. The Micro-Navigator is a project to develop a MEMS-based device to measure acceleration and rotation in all three axes for local area navigation. The Polychromator project is a joint project with Honeywell and MIT to develop an electrically programmable diffraction grating that can be programmed to synthesize the spectra of molecules. This grating will be used as the reference cell in a gas correlation radiometer to enable remote chemical detection of most chemical species. Another area of research where micro-fabrication is having a large impact is the development of a "lab on a chip." Sandia's efforts to develop the μChemLab™ will be described including the development of microfabricated pre-concentrators, chromatographic columns, and detectors. Smart sensors that allow the spacecraft independent decision making capabilities depend on pattern recognition. Sandia's development of a new pattern recognition methodology that can be used to interpret sensor response as well as for target recognition applications will be described.

Microsystems involve several fabrication technologies, but share the common trait of dimensions and motions measured in microns. Small feature sizes and deflections make the detection of microdevice motion particularly difficult. The rapid operating frequencies of many microactuators compound the detection problem. Effective feedback, control, and performance measurement of microactuators thus become problematic. These measurements are particularly important, however, due to the developmental nature of many microsystem technologies. Wear, lifetime issues, and optimized drive signals, for example, are poorly understood for many actuation devices. As microactuators move out of the development stage and begin to perform work on external assemblies and environments, the various load conditions will also come into account. Since microactuators involve small masses and inertias, effective driving of external loads may require feedback-based control of the microdevice. Optical sensing technologies offer solutions to these problems of sensor motion, microactuator analysis during the development process, and integrated feedback for microactuators driving external loads. Optical methods also end themselves to the effectively 1D nature of many microsystem motions, limiting the required signal analysis to practical levels that support real-time measurement and control. This paper describes several optical techniques for sensing motion, performance, and feedback data, some of which can integrated with the microsystems themselves. For microactuators, experimental results indicate that real-time performance measurements are particularly revealing for understanding device motion and response. For microsensors, experimental result are also presented for interpreting motion using external and integrated optical techniques.

This paper describes mechanical designed concepts for a class of pivoting micromirrors that permit relatively large angles of orientation to be obtained when configured in large arrays. Micromirror arrays can be utilized in a variety of applications ranging from optical switching to beam-front correction in a variety of technologies. This particular work is concerned with silicon surface micromachining. The multi-layer polysilicon surface micromachined process developed at Sandia National Laboratories is used to fabricate micromirror arrays that consists of capacitive electrode pairs which are used to electrostatically actuator mirrors to their desired positions and suitable elastic suspensions which support the 2 micrometers thick mirror structures. The designs described have been fabricated and successfully operated.

The thermal conductivity of 304 stainless steel has been estimated from transient temperature measurements and knowing the volumetric heat capacity. Sensitivity coefficients were used to guide the design of this experiment as well as to estimate the confidence interval in the estimated thermal conductivity. The uncertainty on the temperature measurements was estimated by several means, and its impact on the estimated conductivity is discussed. The estimated thermal conductivity of 304 stainless steel is consistent with results from other sources.

The Waste Isolation Pilot Plan requires a dependable shaft seal system to isolate the waste from the biosphere. This paper describes the shaft sealing system, which is designed to limit fluid transport through the four existing shafts. The design approach applies redundancy to functional elements and specifies multiple, common, low-permeability materials to ensure reliable performance. The system comprises 13 elements that completely fill the shafts with engineered materials possessing high density and low permeability. Laboratory and field measurements of component properties and performance provide the basis for the design and related evaluations. Hydrologic, mechanical, thermal, and physical features of the system are evaluated in a series of calculations. These calculations indicate that the design limits transport of fluids within the shafts, thereby limiting transport of hazardous material to regulatory boundaries. Additionally, the use or adaptation of existing technologies for seal construction combined with the use of available common materials assure that the design can be constructed.

Thermal oxide and PETEOS oxide surfaces, polished on an IPEC 472 with different combinations of polish pad, slurry, and polishing conditions, were studied with ex situ atomic force microscopy. The post polish surfaces were analyzed qualitatively by visual inspection and quantitatively by spectral and scaling analyses. Spectral and scaling analyses gave consistent interpretations of morphology evolution. Polishing with either a fixed abrasive pad or alumina-based slurry occurred via a mechanism for which asperities are removed and recesses are filled. A sputtering-type mechanism may contribute to material removal when polishing with silica- or ceria-based slurries.

Conventional electroactive stack components in thermal batteries are constructed from pressed-powder parts. These include the anode, separator, and cathode pellets (discs). Pressing parts that are less than 0.010 inch thick is difficult. The use of plasma spray to deposit thin CoS{sub 2} cathode films onto a stainless steel substrate was examined as an alternative to pressed-powder cathodes. The plasma-sprayed electrodes were tested in single cells under isothermal conditions and constant-current discharge over a temperature range of 400 C to 550 C using standard LiSi anodes and separators based on the LiCl-KCl eutectic. Similar tests were conducted with cells built with conventional pressed-powder cathodes, which were tested under the same conditions for comparative purposes. This paper presents the results of those tests.

A Total System Performance Assessment (TSPA) of Yucca Mountain consists of integrated sub-models and analyses of natural and engineered systems. Examples of subsystem models include unsaturated-zone flow and transport, seepage into drifts, coupled thermal hydrologic processes, transport through the engineered barrier system, and saturated-zone flow and transport. The TSPA evaluates the interaction of important processes among these subsystems, and it determines the impact of these processes on the overall performance measures (e.g., dose rate to humans). This paper summarizes the evaluation, abstraction, and combination of these subsystem models in a TSPA calculation, and it provides background on the individual TSPA subsystem components that are most directly impacted by geotechnical issues. The potential impact that geologic features, events, and processes have on the overall performance is presented, and an evaluation of the sensitivity of TSPA calculations to these issues is also provided.

Monte Carlo simulations of phosphate tetrahedron connectivity distributions in alkali and alkaline earth phosphate glasses are reported. By utilizing a discrete bond model, the distribution of next-nearest neighbor connectivities between phosphate polyhedron for random, alternating and clustering bonding scenarios was evaluated as a function of the relative bond energy difference. The simulated distributions are compared to experimentally observed connectivities reported for solid-state two-dimensional exchange and double-quantum NMR experiments of phosphate glasses. These Monte Carlo simulations demonstrate that the polyhedron connectivity is best described by a random distribution in lithium phosphate and calcium phosphate glasses.

A substantial decrease in hydrostatic ferroelectric (FE) to antiferroelectric (AFE) transformation pressure was measured for Pb(Zr{sub 0.949}Ti{sub 0.051}){sub 0.989}Nb{sub 0.0182}O{sub 3} ceramics with decreasing grain size. The 150 MPa decrease in hydrostatic FE to AFE transformation pressure over the grain size range of 8.5 {micro}m to 0.7{micro}m was shown to be consistent with enhanced internal stress with decreasing grain size. Further, the Curie Point decreased and the dielectric constant measured at 25 C increased with decreasing 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 differences on the order of 100 MPa. Calculations of Curie point shifts from the Clausius-Clapeyron equation, using internal stress levels derived from the hydrostatic depoling characteristics, were consistent with measured values.

Microstructural evolution due to aging of solder alloys determines their long-term reliability as electrical, mechanical and thermal interconnects in electronics packages. The ability to accurately determine the reliability of existing electronic components as well as to predict the performance of proposed designs depends upon the development of reliable material models. A kinetic Monte Carlo simulation was used to simulate microstructural evolution in solder-class materials. The grain growth model simulated many of the microstructural features observed experimentally in 63Sn-37Pb, a popular near-eutectic solder alloy. The model was validated by comparing simulation results to new experimental data on coarsening of Sn-Pb solder. The computational and experimental grain growth exponent for two-phase solder was found to be much lower than that for normal, single phase grain growth. The grain size distributions of solders obtained from simulations were narrower than that of normal grain growth. It was found that the phase composition of solder is important in determining grain growth behavior.

The stress-relief cracking susceptibility of single-pass welds in a new ferritic steel, HCM2S, has been evaluated and compared to 2.25Cr-1Mo steel using Gleeble techniques. Simulated coarse-grained heat-affected zones (CGHAZ) were produced under a range of energy inputs and tested at various post-weld heat treatment (PWHT) temperatures. Both alloys were tested at a stress of 325 MPa. The 2.25 Cr-1Mo steel was also tested at 270 MPa to normalize for the difference in yield strength between the two materials. Light optical and scanning electron microscopy were used to characterize the CGHAZ microstructure. The ''as-welded'' CGHAZ of each alloy consisted of lath martensite or bainite and had approximately equal prior austenite grain sizes. The as-welded hardness of the 2.25Cr-1Mo steel CGHAZ was significantly higher than that of the HCM2S alloy. Over the range studied energy input had no effect on the as-welded microstructure or hardness of either alloy. The energy input also had no effect on the stress-relief cracking susceptibility of either material. Both alloys failed intergranularly along prior austenite grain boundaries under all test conditions. The 2.25Cr-1Mo steel samples experienced significant macroductility and some microductility when tested at 325 MPa. The ductility decreased significantly when tested at 270 MPa but was still higher that than of HCM2S at each test condition. The time to failure decreased with increasing PWHT Temperature for each material. There was no significant difference in the times to failure between the two materials. Varying energy input and stress had no effect on the time-to failure. The ductility, as measured by reduction in are% increased with increasing PWHT temperature for 2.25 Cr-1Mo steel tested at both stresses. However, PWHT temperature had no effect on the ductility of HCM2S. The hardness of the CGHAZ for 2.25Cr-1Mo steel decreased significantly after PWHT, but remained constant for HCM2S. The differences in stress-relief cracking response are discussed in terms of the differences in composition and expected carbide precipitation sequence for each alloy during PWHT.

A new two-dimensional photonic crystal (2D PC) slab structure was created with a full three-dimensional light confinement. Guided modes with broad bandwidth and high transmission within the band gap are also observed. As an optical analog to electronic crystals, PC promises a revolution in the photonic world similar to the electronic revolution created by the electronic band gap engineering in semiconductor. 2D PC has an advantage of being easier to fabricate at optical wavelength ({lambda}) comparing with 3D PC. However, the light leakage in the vertical direction has been the main problem for using 2D PC in opto-electronic application. In this study, the authors solve this problem by combining traditional 2D PC with strong vertical index guiding between the waveguide layer (GaAs) and the cladding layer (Al{sub x}O{sub y}). A set of triangular lattice holes 2D PC's were fabricated with lattice constant a=460nm, hole diameter (d=0.6a) and waveguide layer thickness (t = 0.5a). Those parameters were chosen to maximize the TE photonic band gap (PBG) around {lambda} = 1.55{micro}m. The depth of etched holes is {approximately}0.6{micro}m and the 2{micro}m thick Al{sub x}O{sub y} cladding layer is obtained by thermal oxidation of Al{sub 0.9}Ga{sub 0.1}As. PC waveguides were also created by introducing line defects along {Gamma}K direction. The authors perform transmission measurement by coupling light to PC with 3{micro}m wide waveguides which extends {approximately}0.6mm on both sides of PC. An aspheric lens with NA = 0.4 is used to focus the collimated light from tunable diode laser into the input waveguide. Another identical lens is used to collect the transmitted light and focus to an infrared (IR) camera and a calibrated photo-detector with a beamsplitter. The Gaussian waveguide mode indicates that the signal detected by the photodetector comes only from the light interacting with PC and propagating along the waveguide. The absolute transmittance is obtained by normalizing the transmission with a reference measured with a nominally identical waveguide without PC.

Solute redistribution and microstructural evolution have been modeled for gas tungsten arc fusion welds in experimental Ni base superalloys. The multi-component alloys were modeled as a pseudo-ternary {gamma}-Nb-C system. The variation in fraction liquid and liquid composition during the primary L {r{underscore}arrow} {gamma} and eutectic type L {r{underscore}arrow} ({gamma} + NbC) stages of solidification were calculated for conditions of negligible Nb diffusion and infinitely rapid C diffusion in the solid phase. Input parameters were estimated by using the Thermo-Calc NiFe Alloy data base and compared to experimentally determined solidification parameters. The solidification model results provide useful information for qualitatively interpreting the influence of alloy composition on weld microstructure. The quantitative comparisons indicate that, for the alloy system evaluated, the thermodynamic database provides sufficiently accurate values for the distribution coefficients of Nb and C. The calculated position of the {gamma}-NbC two-fold saturation line produces inaccurate results when used as inputs for the model, indicating further refinement to the database is needed for quantitative estimates.

Recent improvements in z-pinch wire array load design at Sandia National Laboratories have led to a substantial increase in pinch performance as measured by radiated powers of up to 280 TW in 4 ns and 1.8 MJ of total radiated energy. Next generation, higher current machines will allow for larger mass arrays and comparable or higher velocity implosions to be reached, possibly extending these result.dis the current is pushed above 20 MA, conventional machine design based on a 100 ns implosion time results in higher voltages, hence higher cost and power flow risk. Another approach, which shifts the risk to the load configuration, is to increase the implosion time to minimize the voltage. This approach is being investigated in a series of experimental campaigns on the Saturn and Z machines. In this paper, both experimental and two dimensional computational modeling of the fist long implosion Z experiments will be presented. The experimental data shows broader pulses, lower powers, and larger pinch diameters compared to the corresponding short pulse data. By employing a nested array configuration, the pinch diameter was reduced by 50% with a corresponding increase in power of > 30%. Numerical simulations suggest load velocity is the dominating mechanism behind these results.

Microstructure-level residual stresses arise in polycrystalline ceramics during processing as a result of thermal expansion anisotropy and crystallographic disorientation across the grain boundaries. Depending upon the grain size, the magnitude of these stresses can be sufficiently high to cause spontaneous microcracking during the processing of these materials. They are also likely to affect where cracks initiate and propagate under macroscopic loading. The magnitudes of residual stresses in untextured and textured alumina samples were predicted using object oriented finite (OOF) element analysis and experimentally determined grain orientations. The crystallographic orientations were obtained by electron-backscattered diffraction (EBSD). The residual stresses were lower and the stress distributions were narrower in the textured samples compared to those in the untextured samples. Crack initiation and propagation were also simulated using the Griffith fracture criterion. The grain boundary to surface energy ratios required for computations were estimated using AFM groove measurements.

Selectively oxidized vertical cavity surface emitting lasers (VCSELS) have been studied by spectrally resolved near field scanning optical microscopy (NSOM). We have obtained spatially and spectrally resolved images of both subthreshold emission and lasing emission from a selectively oxidized VCSEL operating at a wavelength of 850 nm. Below threshold, highly local high gain regions, emitting local intensity maxima within the active area, were observed; these were found to serve as lasing centers just above threshold. Above threshold, the near field spatial modal distributions of low order transverse modes were identified by spectrally analyzing the emission; these were found to be complex and significantly different from those measured in the far field.

Finite difference methods for solving the wave equation more accurately capture the physics of waves propagating through the earth than asymptotic solution methods. Unfortunately. finite difference simulations for 3D elastic wave propagation are expensive. We model waves in a 3D isotropic elastic earth. The wave equation solution consists of three velocity components and six stresses. The partial derivatives are discretized using 2nd-order in time and 4th-order in space staggered finite difference operators. Staggered schemes allow one to obtain additional accuracy (via centered finite differences) without requiring additional storage. The serial code is most unique in its ability to model a number of different types of seismic sources. The parallel implementation uses the MP1 library, thus allowing for portability between platforms. Spatial parallelism provides a highly efficient strategy for parallelizing finite difference simulations. In this implementation, one can decompose the global problem domain into one-, two-, and three-dimensional processor decompositions with 3D decompositions generally producing the best parallel speed up. Because i/o is handled largely outside of the time-step loop (the most expensive part of the simulation) we have opted for straight-forward broadcast and reduce operations to handle i/o. The majority of the communication in the code consists of passing subdomain face information to neighboring processors for use as ''ghost cells''. When this communication is balanced against computation by allocating subdomains of reasonable size, we observe excellent scaled speed up. Allocating subdomains of size 25 x 25 x 25 on each node, we achieve efficiencies of 94% on 128 processors. Numerical examples for both a layered earth model and a homogeneous medium with a high-velocity blocky inclusion illustrate the accuracy of the parallel code.

Evaporation is a classical physics problem which, because of its significant importance for many engineering applications, has drawn considerable attention by previous researchers. Classical theoretical models [Ta. I. Frenkel, Kinetic Theory of Liquids, Clarendon Press, Oxford, 1946] represent evaporation in a simplistic way as the escape of atoms with highest velocities from a potential well with the depth determined by the atomic binding energy. The processes taking place in the gas phase above the rapidly evaporating surface have also been studied in great detail [S.I.Anisimov and V. A. Khokhlov, Instabilities in Lasser-Matter Interaction, CRC Press, Boca Raton, 1995]. The description of evaporation utilizing these models is known to adequately characterize drilling with high beam intensity, e.g., >10{sup 7} W/cm{sup 2}. However, the interaction regimes when beam intensity is relatively low, such as during welding or cutting, lack both theoretical and experimental consideration of the evaporation. It was shown recently that if the evaporation is treated in accordance with Anisimov et.al.'s approach, then predicted evaporation recoil should be a substantial factor influencing melt flow and related heat transfer during laser beam welding and cutting. To verify the applicability of this model for low beam intensity interaction, the authors compared the results of measurements and calculations of recoil pressure generated during laser beam irradiation of a target. The target material used was water ice at {minus}10 C. The displacement of a target supported in a nearly frictionless air bearing under irradiation by a defocused laser beam from a 14 kW CO{sub 2} laser was recorded and Newton's laws of motion used to derive the recoil pressure.

Silicon (Si) has a strength to density ratio of 3.0({sigma}{sub y}/{delta}=(6.8GPa/2.3g/cc)), an order-of-magnitude higher than titanium, aluminum, or stainless steel. Silicon also demonstrates favorable thermal, optical, and electrical properties making it ideal for use as a structural foundation for autonomous, mesoscopic systems such as nanosatellites. Using Si substrates, a structure that can simultaneously act as a thermal management system, a radiation shield, an optical material, a package, and a semiconductor substrate can be realized.

Abstract not provided.

To date most validation techniques are highly biased towards calculations involving symbolic representations of problems. These calculations are either formal (in the case of consistency and completeness checks), or informal in the case of code inspections. The authors believe that an essential type of evidence of the correctness of the formalization process must be provided by (i.e., must originate from) human-based calculation. They further believe that human calculation can by significantly amplified by shifting from symbolic representations to graphical representations. This paper describes their preliminary efforts in realizing such a representational shift.

The purpose of this paper is to demonstrate how transformation can be used to derive a high integrity implementation of a train controller from an algorithmic specification. The paper begins with a general discussion of high consequence systems (e.g., software systems) and describes how rewrite-based transformation systems can be used in the development of such systems. The authors then discuss how such transformations can be used to derive a high assurance controller for the Bay Area Rapid Transit (BART) system from an algorithmic specification.

A key step in the construction of high consequence software is its specification in a formal framework. In order to minimize the difficulty and potential for error, a specification should be expressed in a domain language supporting operators and structures that are intrinsic to the class of algorithms one wishes to specify. In this paper the authors describe a language that is suitable for the algorithmic specification of software controllers for a class of reactive systems of which the Bay Area Rapid Transit (BART) system is an instance. The authors then specify an abstract controller for a subset of BART using this language.

The authors have investigated LiNi{sub 0.8}Co{sub 0.2}O{sub 2} (Sumitomo) and LiNi{sub 5/8}Co{sub 1/4}Mn{sub 1/16}Al{sub 1/16}O{sub 2} (Sandia chemical preparation method) cathode powders via in-situ X-ray Diffraction and Cyclic Voltammetry using a coffee-bag type electrochemical cell. Both cathode materials did not show a monoclinic distortion during de-intercalation but sustained the hexagonal structure up to 4.3 V. The doping of Co into the LiNiO{sub 2} structure appears to stabilize this lattice as the hexagonal structure over the full range of charging (up to 4.3 V). The LiNi{sub 5/8}Co{sub 1/4}Mn{sub 1/16}Al{sub 1/16}O{sub 2} cathode material exhibited a 160 mAh/g capacity (to 4.1 V) on its 1{sup st} cycle, while displaying a much smaller volume change (as compared to LiNi{sub 0.8}Co{sub 0.2}O{sub 2}) during de-intercalation. This reduced overall volume change (2.5 vol%) may have important implications for cycle life of this material.

Filamentation, and consequently output beam quality in InGaN quantum-well lasers are found to be strong functions of quantum-well width because of the interplay of quantum-confined Stark effect and many-body interactions. For an In{sub 0.2}Ga{sub 0.8}N/GaN gain medium the antiguiding factor in a thick 4nm quantum well is considerably smaller than that for a narrow 2nm one. As a result, lasers with the thicker quantum well maintain fundamental-mode operation with wider stripe widths and at significantly higher excitation levels.

High resolution measurements of spectrally resolved cathodoluminescence (CL) decay have been made in several commercial and experimental phosphors doped with Eu and Tb at beam energies ranging from 0.8 to 4 keV. CL emission from the lowest two excited states of both rare earth activators was compared to the decay of photoluminescence (PL) after pulsed laser excitation. We find that, at long times after the cessation of electron excitation, the CL decay rates are comparable to those measured in PL, at short times, the decay process is considerably faster and has a noticeable dependence on the energy of the electron beam. These beam energy effects are largest for the higher excited states and for phosphors with larger activator concentrations. Measurements of the experimental phosphors over a range of activator fractions from 0.1 to 0.002 show that the beam energy dependence of the steady-state CL efficiency is larger for higher excited states and weakens as the activator concentration is reduced. The latter effect is strongest for Y{sub 2}SiO{sub 5}:Tb, but also quite evident in Y{sub 2}O{sub 3}:Eu. We suggest that the electron beam dependence of both the decay lifetimes and the steady state CL efficiency may be due to interaction of nearby excited states which occurs as a result of the large energy deposition rate for low energy electrons. This picture-for non-radiative quenching of rare earth emission is an excited state analog of the well-known (ground state-excited state) concentration quenching mechanism.

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.

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.

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 authors have used ion channeling to examine the lattice configuration of deuterium in Mg doped GaN grown by MOCVD. The deuterium is introduced both by exposure to deuterium gas and to ECR plasmas. A density functional approach including lattice relaxation, was used to calculate total energies for various locations and charge states of hydrogen in the wurtzite Mg doped GaN lattice. Computer simulations of channeling yields were used to compare results of channeling measurements with calculated yields for various predicted deuterium lattice configurations.

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.

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.

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.

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.

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.

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.