Publications

This report presents the findings of the Chemical Compatibility Program developed to evaluate plastic packaging components that may be incorporated in packaging mixed-waste forms for transportation. Consistent with the methodology outlined in this report, the author performed the second phase of this experimental program to determine the effects of simulant Hanford tank mixed wastes on packaging seal materials. That effort involved the comprehensive testing of five plastic liner materials in an aqueous mixed-waste simulant. The testing protocol involved exposing the materials to {approximately}143, 286, 571, and 3,670 krad of gamma radiation and was followed by 7-, 14-, 28-, 180-day exposures to the waste simulant at 18, 50, and 60 C. Ethylene propylene diene monomer (EPDM) rubber samples subjected to the same protocol were then evaluated by measuring seven material properties: specific gravity, dimensional changes, mass changes, hardness, compression set, vapor transport rates, and tensile properties. The author has determined that EPDM rubber has excellent resistance to radiation, this simulant, and a combination of these factors. These results suggest that EPDM is an excellent seal material to withstand aqueous mixed wastes having similar composition to the one used in this study.

The accumulation of hydrogen is usually an undesirable occurrence because buildup in sealed systems pose explosion hazards under certain conditions. Hydrogen scavengers, or getters, can avert these problems by removing hydrogen from such environments. This paper provides a review of a number of reversible and irreversible getters that potentially could be used to reduce the buildup of hydrogen gas in containers for the transport of radioactive materials. In addition to describing getters that have already been used for such purposes, novel getters that might find application in future transport packages are also discussed. This paper also discusses getter material poisoning, the use of getters in packaging, the effects of radiation on getters, the compatibility of getters with packaging, design considerations, regulatory precedents, and makes general recommendations for the materials that have the greatest applicability in transport packaging. At this time, the Pacific Northwest National Laboratory composite getter, DEB [1,4-(phenylethylene)benzene] or similar polymer-based getters, and a manganese dioxide-based getter appear to be attractive candidates that should be further evaluated. These getters potentially can help prevent pressurization from radiolytic reactions in transportation packaging.

Finite elements are routinely used for analysis of real world problems in a wide range of engineering disciplines. The types of problems for which these are used include, but are not limited to, structural engineering, materials science, heat transfer, optics and electromagnetics. While linearity is a good assumption to start with in many problems, reasonable solutions to real-life problems require them to be treated as non-linear. It is, therefore, necessary that the users of finite element codes be aware of the capabilities and limitations of their analysis tools.

As the Sandia National Laboratories' Environmental Restoration (ER) project moves toward closure, the project's experiences--including a number of successes in the public participation arena--suggest it is time for a new, more interactive model for future government-citizen involvement. This model would strive to improve the quality of public interaction with the Department of Energy (DOE) and Sandia, by using subject-specific working groups and aiming for long-term trustful relationships with the community. It would make use of interactive techniques, fewer formal public forums, and a variety of polling and communication technologies to improve information gathering and exchange.

Fracture transmissivity and detailed aperture fields are measured in analog fractures specially designed to evaluate the utility of the Reynolds equation. The authors employ a light transmission technique with well-defined accuracy ({approximately}1% error) to measure aperture fields at high spatial resolution ({approximately}0.015 cm). A Hele-Shaw cell is used to confirm the approach by demonstrating agreement between experimental transmissivity, simulated transmissivity on the measured aperture field, and the parallel plate law. In the two rough-walled analog fractures considered, the discrepancy between the experimental and numerical estimates of fracture transmissivity was sufficiently large ({approximately} 22--47%) to exclude numerical and experimental errors (< 2%)as a source. They conclude that the three-dimensional character of the flow field is important for fully describing fluid flow in the two rough-walled fractures considered, and that the approach of depth averaging inherent in the formulation of the Reynolds equation is inadequate. They also explore the effects of spatial resolution, aperture measurement technique, and alternative definitions for link transmissivities in the finite-difference formulation, including some that contain corrections for tortuosity perpendicular to the mean fracture plane and Stokes flow. Various formulations for link transmissivity are shown to converge at high resolution ({approximately} 1/5 the spatial correlation length) in the smoothly varying fracture. At coarser resolutions, the solution becomes increasingly sensitive to definition of link transmissivity and measurement technique. Aperture measurements that integrate over individual grid blocks were less sensitive to measurement scale and definition of link transmissivity than point sampling techniques.

The authors develop and evaluate a modified invasion percolation (MIP) model for quasi-static immiscible displacement in horizontal fractures. The effects of contact angle, local aperture field geometry, and local in-plane interracial curvature between phases are included in the calculation of invasion pressure for individual sites in a discretized aperture field. This pressure controls the choice of which site is invaded during the displacement process and hence the growth of phase saturation structure within the fracture. To focus on the influence of local in-plane curvature on phase invasion structure, they formulate a simplified nondimensional pressure equation containing a dimensionless curvature number (C) that weighs the relative importance of in-plane curvature and aperture-induced curvature. Through systematic variation of C, they find in-plane interracial curvature to greatly affect the phase invasion structure. As C is increased from zero, phase invasion fronts transition from highly complicated (IP results) to microscopically smooth. In addition, measurements of fracture phase saturations and entrapped cluster statistics (number, maximum size, structural complication) show differential response between wetting and nonwetting invasion with respect to C that is independent of contact angle hysteresis. Comparison to experimental data available at this time substantiates predicted behavior.

The Authenticated Tracking and Monitoring System (ATMS) is designed to answer the need for global monitoring of the status and location of proliferation-sensitive items on a worldwide basis, 24 hours a day. ATMS uses wireless sensor packs to monitor the status of the items within the shipment and surrounding environmental conditions. Receiver and processing units collect a variety of sensor event data that is integrated with GPS tracking data. The collected data are transmitted to the International Maritime Satellite (INMARSAT) communication system, which then sends the data to mobile ground stations. Authentication and encryption algorithms secure the data during communication activities. A typical ATMS application would be to track and monitor the stiety and security of a number of items in transit along a scheduled shipping route. The resulting tracking, timing, and status information could then be processed to ensure compliance with various agreements.

Secretary of Energy, Bill Richardson, has stated that one of the nuclear waste legacy issues is ``The challenge of managing the fuel cycle's back end and assuring the safe use of nuclear power.'' Waste management (i.e., the back end) is a domestic and international issue that must be addressed. A key tool in gaining acceptance of nuclear waste repository technologies is transparency. Transparency provides information to outside parties for independent assessment of safety, security, and legitimate use of materials. Transparency is a combination of technologies and processes that apply to all elements of the development, operation, and closure of a repository system. A test bed for nuclear repository transparency technologies has been proposed to develop a broad-based set of concepts and strategies for transparency monitoring of nuclear materials at the back end of the fuel/weapons cycle. WIPP is the world's first complete geologic repository system for nuclear materials at the back end of the cycle. While it is understood that WIPP does not currently require this type of transparency, this repository has been proposed as realistic demonstration site to generate and test ideas, methods, and technologies about what transparency may entail at the back end of the nuclear materials cycle, and which could be applicable to other international repository developments. An integrated set of transparency demonstrations was developed and deployed during the summer, and fall of 1999 as a proof-of-concept of the repository transparency technology concept. These demonstrations also provided valuable experience and insight into the implementation of future transparency technology development and application. These demonstrations included: Container Monitoring Rocky Flats to WIPP; Underground Container Monitoring; Real-Time Radiation and Environmental Monitoring; Integrated level of confidence in the system and information provided. As the world's only operating deep geologic repository, the Waste Isolation Pilot Plant (WIPP) offers a unique opportunity to serve as an international cooperative test bed for developing and demonstrating technologies and processes in a fully operational repository system setting. To address the substantial national security implications for the US resulting from the lack of integrated, transparent management and disposition of nuclear materials at the back-end of the nuclear fuel and weapons cycles, it is proposed that WIPP be used as a test bed to develop and demonstrate technologies that will enable the transparent and proliferation-resistant geologic isolation of nuclear materials. The objectives of this initiative are to: (1) enhance public confidence in safe, secure geologic isolation of nuclear materials; (2) develop, test, and demonstrate transparency measures and technologies for the back-end of nuclear fuel cycle; and (3) foster international collaborations leading to workable, effective, globally-accepted standards for the transparent monitoring of geological repositories for nuclear materials. Test-bed activities include: development and testing of monitoring measures and technologies; international demonstration experiments; transparency workshops; visiting scientist exchanges; and educational outreach. These activities are proposed to be managed by the Department of Energy/Carlsbad Area Office (DOE/CAO) as part of The Center for Applied Repository and Underground Studies (CARUS).

One of the legacies of the nuclear weapon and nuclear power cycles has been the generation of large quantities of nuclear waste and fissile materials. As citizens of this planet, it is everyone's responsibility to provide for safe, secure, transparent, disposal of these waste nuclear materials. The Sandia Cooperative Monitoring Center sponsored a Transparency Monitoring Workshop where the use of the Waste Isolation Pilot Plant (WIPP) was identified as a possible transparency demonstration test bed. Three experiments were conceived as jumpstart activities to showcase the effective use of the WIPP infrastructure as a Transparency Demonstration Test Bed. The three experiments were successfully completed and demonstrated at the International Atomic Energy Association sponsored International Conference on Geological Repositories held in Denver Colorado November 1999. The design and coordination of these efforts is the subject of this paper.

Polarized magneto-photoluminescence (MPL) measurements on a high mobility {delta}-doped GaAs/AlGaAs single quantum well from 0--60 T at temperatures between 0.37--2.1 K are reported. In addition to the neutral heavy hole magneto-exciton (X{sup 0}), the singlet (X {sub s}{sup {minus}}) and triplet (X {sub t}{sup {minus}}) states of the negatively charged magneto-exciton are observed in both polarizations. The energy dispersive and time-resolved MPL data suggest that their development is fundamentally related to the formation of the neutral magneto-exciton. At a magnetic field of 40 T the singlet and the triplet states cross as a result of the role played by the higher Landau levels and higher energy subbands in their energetic evolution, confirming theoretical predictions. The authors also observed the formation of two higher energy peaks. One of them is completely right circularly polarized and its appearance can be considered a result of the electron-hole exchange interaction enhancement with an associated electron g-factor of 3.7 times the bulk value. The other peak completely dominates the MPL spectrum at fields around 30 T. Its behavior with magnetic field and temperature indicates that it may be related to previous anomalies observed in the integer and fractional quantum Hall regimes.

The authors report a measurement of the variation of the value of the linewidth of an excitonic transition in InGaAsN alloys (1 and 2% nitrogen) as a function of hydrostatic pressure using photoluminescence spectroscopy. The samples were grown by metal-organic chemical vapor deposition and the photoluminescence measurements were performed a 4K. The authors find that the value of the excitonic linewidth increases as a function of pressure until about 100 kbars after which it tends to saturate. This change in the excitonic linewidth is used to derive the pressure variation of the reduced mass of the exciton using a theoretical formalism which is based on the premise that the broadening of the excitonic transition is caused primarily by compositional fluctuations in a completely disordered alloy. The variation of the excitonic reduced mass thus derived is compared with that recently determined using a first-principles band structure calculation based on local density approximation.

Nanostructural characterization of amorphous diamondlike carbon (a-C) films grown on silicon using pulsed-laser deposition (PLD) is correlated to both growth energetic and film thickness. Raman spectroscopy and x-ray reflectivity probe both the topological nature of 3- and 4-fold coordinated carbon atom bonding and the topographical clustering of their distributions within a given film. In general, increasing the energetic of PLD growth results in films becoming more ``diamondlike'', i.e. increasing mass density and decreasing optical absorbance. However, these same properties decrease appreciably with thickness. The topology of carbon atom bonding is different for material near the substrate interface compared to material within the bulk portion of an a-C film. A simple model balancing the energy of residual stress and the free energies of resulting carbon topologies is proposed to provide an explanation of the evolution of topographical bonding clusters in a growing a-C film.

The carbon ion energy used during filtered cathodic vacuum arc deposition determines the bonding topologies of amorphous-carbon (a-C) films. Regions of relatively low density occur near the substrate/film and film/surface interfaces and their thicknesses increase with increasing deposition energy. The ion subplantation growth results in mass density gradients in the bulk portion of a-C in the growth direction; density decreases with distance from the substrate for films grown using ion energies < 60 eV and increases for films grown using ion energies > 160 eV. Films grown between these energies are the most diamondlike with relatively uniform bulk density and the highest optical transparencies. Bonding topologies evolve with increasing growth energy consistent with the propagation of subplanted carbon ions inducing a partial transformation of 4-fold to 3-fold coordinated carbon atoms.

The nature and origin of lateral composition modulations in (AlAs){sub m}(InAs){sub n} SPSs grown by MBE on InP substrates have been investigated by XRD, AFM, and TEM. Strong modulations were observed for growth temperatures between {approx} 540 and 560 C. The maximum strength of modulations was found for SPS samples with InAs mole fraction x (=n/(n+m)) close to {approx} 0.50 and when n {approx} m {approx} 2. The modulations were suppressed at both high and low values of x. For x >0.52 (global compression) the modulations were along the <100> directions in the (001) growth plane. For x < 0.52 (global tension) the modulations were along the two <310> directions rotated {approx} {+-} 27{degree} from [110] in the growth plane. The remarkably constant wavelength of the modulations, between {approx} 20--30 nm, and the different modulation directions observed, suggest that the origin of the modulations is due to surface roughening associated with the high misfit between the individual SPS layers and the InP substrate. Highly uniform unidirectional modulations have been grown, by control of the InAs mole fraction and growth on suitably offcut substrates, which show great promise for application in device structures.

In September 1997, following significant public and regulator interaction, Sandia Corporation (Sandia) was granted a Resource Conservation and Recovery Act (RCRA) and Hazardous Solid Waste Amendment (HSWA) permit modification allowing construction and operation of a Correction Action Management Unit (CAMU). The CAMU follows recent regulatory guidance that allows for cost-effective, expedient cleanup of contaminated sites and management of hazardous remediation wastes. The CAMU was designed to store, treat, and provide long-term management for Environmental Restoration (ER) derived wastes. The 154 square meter CAMU site at Sandia National Laboratories, New Mexico (SNL/NM), includes facilities for storing bulk soils and containerized wastes, for treatment of bulk soils, and has a containment cell for long-term disposition of waste. Proposed treatment operations include soil washing and low temperature thermal desorption. The first waste was accepted into the CAMU for temporary storage in January 1999. Construction at the CAMU was completed in March 1999, and baseline monitoring of the containment cell has commenced. At completion of operations the facility will be closed, the waste containment cell will be covered, and long-term post-closure monitoring will begin. Sandia's CAMU is the only such facility within the US Department of Energy (DOE) complex. Implementing this innovative approach to ER waste management has required successful coordination with community representatives, state and federal regulators, the DOE, Sandia corporate management, and contractors. It is expected that cost savings to taxpayers will be significant. The life-cycle CAMU project cost is currently projected to be approximately $12 million.

We have developed a new process for applying a hydrophobic, low adhesion energy coating to microelectromechanical (MEMS) devices. Monolayer films are synthesized from tridecafluoro-1,1,2,2-tetrahydrooctyltrichlorosilane (FOTS) and water vapor in a low-pressure chemical vapor deposition process at room temperature. Film thickness is self-limiting by virtue of the inability of precursors to stick to the fluorocarbon surface of the film once it has formed. We have measured film densities of {approx}3 molecules nm{sup 2} and film thickness of {approx}1 nm. Films are hydrophobic, with a water contact angle >110{sup o}. We have also incorporated an in-situ downstream microwave plasma cleaning process, which provides a clean, reproducible oxide surface prior to film deposition. Adhesion tests on coated and uncoated MEMS test structures demonstrate superior performance of the FOTS coatings. Cleaned, uncoated cantilever beam structures exhibit high adhesion energies in a high humidity environment. An adhesion energy of 100 mJ m{sup -2} is observed after exposure to >90% relative humidity. Fluoroalkylsilane coated beams exhibit negligible adhesion at low humidity and {<=} 20 {micro}J m{sup -2} adhesion energy at >90% relative humidity. No obvious film degradation was observed for films exposed to >90% relative humidity at room temperature for >24 hr.

Molecular homogeneity frequently plays a decisive role in the effective application of organically modified silicate copolymers. However, methods of directly characterizing copolymerization extent in siloxanes generated from mixed alkoxysilanes are not always available or convenient. The authors present an alternative tool for determining kinetic parameters for models of alkoxysilane hydrolytic copolycondensation. Rather than restricting attention to single step batch reactors, they use a semibatch reactor with varying time of injection of one component. They describe the fitting method and show that all necessary kinetic parameters can be determined from a series of ordinary {sup 29}Si NMR data in a straightforward case study: copolymerization of dimethyldiethoxy silane and trimethylethoxysilane. Under conditions providing no direct {sup 29}Si NMR signature of copolymerization, they find kinetic trends consistent with those previously reported. As further validation, the results of a new series of experiments (varying the ratio of mono-functional to difunctional monomer) are predicted by the semibatch copolymerization model and measured parameters. Based on these results, they are able to calculate the molecular homogeneity in the copolymer products investigated. Even for this relatively simple system, the optimal injection time is a complex function of residence time, but early injection of the faster-condensing monomer gives the best homogeneity at long residence times.

A preliminary set of requirements for a robotic rover mission to the lunar polar region are described and assessed. Tasks to be performed by the rover include core drill sample acquisition, mineral and volatile soil content assay, and significant wide area traversals. Assessment of the postulated requirements is performed using first order estimates of energy, power, and communications throughput issues. Two potential rover system configurations are considered, a smaller rover envisioned as part of a group of multiple rovers, and a larger single rover envisioned along more traditional planetary surface rover concept lines.

Robocasting is a new freeform fabrication technique for dense ceramics. It uses robotics to control deposition of ceramic slurries through an orifice. The optimization of concentrated aqueous Si{sub 3}N{sub 4} slurry properties to achieve high green density robocast bodies and subsequent high sintered densities was investigated. The effects of pH, electrolyte, additives and solids loading on the dispersion and rheological properties of Si{sub 3}N{sub 4} slurries were determined. The mechanical behavior of sintered robocast bars was determined and compared to conventionally produced silicon nitride ceramics.

This is the first paper of a two part series based on an integrated study carried out at Sandia National Laboratories and the State University of New York at Stony Brook. The aim of the study is to develop a more fundamental understanding of plasma-particle interactions, droplet-substrate interactions, deposit formation dynamics and microstructural development as well as final deposit properties. The purpose is to create models that can be used to link processing to performance. Process maps have been developed for air plasma spray of molybdenum. Experimental work was done to investigate the importance of such spray parameters as gun current, auxiliary gas flow, and powder carrier gas flow. In-flight particle diameters, temperatures, and velocities were measured in various areas of the spray plume. Samples were produced for analysis of microstructures and properties. An empirical model was developed, relating the input parameters to the in-flight particle characteristics. Multi-dimensional numerical simulations of the plasma gas flow field and in-flight particles under different operating conditions were also performed. In addition to the parameters which were experimentally investigated, the effect of particle injection velocity was also considered. The simulation results were found to be in good general agreement with the experimental data.

The goal of this document is to estimate the potential impact of proposed new Diagnostics-While-Drilling technology on the cost of electricity (COE) produced with geothermal energy. A cost model that predicts the COE was developed and exercised over the range of conditions found for geothermal plants in flashed-steam, binary, and enhanced-reservoir (e.g., Hot Dry Rock) applications. The calculations were repeated assuming that DWD technology is available to reduce well costs and improve well productivity. The results indicate that DWD technology would reduce the geothermal COE by 2--31%, depending on well depth, well productivity, and the type of geothermal reservoir. For instance, for a typical 50-MW, flashed-steam geothermal power plant employing 3-MW wells, 6,000-ft deep, the model predicts an electricity cost of 4.9 cents/kwh. With the DWD technology envisioned, the electricity cost could be reduced by nearly 20%, to less than 4 cents/kwh. Such a reduction in the cost of electricity would give geothermal power a competitive edge over other types of power at many locations across the US and around the world. It is thus believed that DWD technology could significantly expand the role of geothermal energy in providing efficient, environment-friendly electric generating capacity.

In the last decade there has been interest and research in the area of designing circuits with genetic algorithms, evolutionary algorithms, and genetic programming. However, the ability to design circuits of the size and complexity required by modern engineering design problems, simply by specifying required outputs for given inputs has as yet eluded researchers. This paper describes current research in the area of designing logic circuits using an evolutionary algorithm. The goal of the research is to improve the effectiveness of this method and make it a practical aid for design engineers. A novel method of implementing the algorithm is introduced, and results are presented for various multiprocessing systems. In addition to evolving standard arithmetic circuits, work in the area of evolving circuits that perform digital signal processing tasks is described.

A pressure-induced crossover from normal Ferroelectric-to-Relaxer behavior has been observed in single crystal [Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}]{sub 0.905}(PbTiO{sub 3}){sub 0.0095}, or PZN - 9.5% PT. Analogy with similar observations for other perovskites indicates that this crossover is a general feature of compositionally-disordered soft mode ferroelectrics. The Pressure-Temperature phase diagram has been also determined.

The void percolation threshold is calculated for a distribution of overlapping spheres with equal radii, and for a binary sized distribution of overlapping spheres, where half of the spheres have radii twice as large as the other half. Using systems much larger than previous work, the authors determine a much more precise value for the percolation thresholds and correlation length exponent. The values for the percolation thresholds are shown to be significantly different, in contrast with previous, less precise works that speculated that the threshold might be universal with respect to sphere size distribution.

Pressure studies have provided new insights into the physics of compositionally-disordered ABO{sub 3} oxide relaxors. Specifically, results will be presented and discussed on a pressure-induced ferroelectric-to-relaxer crossover phenomenon, the continuous evolution of the energetic and dynamics of the relaxation process, and the interplay between pressure and electric field in determining the dielectric response.

The microstructure of lateral composition modulation in InAs/AlAs superlattices grown by MBE on InP is examined. The use of x-ray diffraction, TEM, AFM, and STEM to characterize the modulations is discussed. Combining the information from these techniques gives increased insight into the phenomenon and how to manipulate it. Diffraction measures the intensity of modulation and its wavelength, and is used to identify growth conditions giving strong modulation. The TEM and STEM analyses indicate that local compositions are modulated by as much as 0.38 InAs mole fraction. Plan-view images show that modulated structures consists of short ({approx_lt}0.2 {micro}m) In-rich wires with a 2D organization in a (001) growth plane. However, growth on miscut substrates can produce a single modulation along the miscut direction with much longer wires ({approx_gt}0.4 {micro}m), as desired for potential applications. Photoluminescence studies demonstrate that the modulation has large effects on the bandgap energy of the superlattice.

The authors present a new technique for the design of approximation algorithms that can be viewed as a generalization of randomized rounding. They derive new or improved approximation guarantees for a class of generalized congestion problems such as multicast congestion, multiple TSP etc. Their main mathematical tool is a structural decomposition theorem related to the integrality gap of a relaxation.

We present a split Hopkinson pressure bar technique to obtain compressive stress-strain data for rock materials. This technique modifies the conventional split Hopkinson bar apparatus by placing a thin copper disk on the impact surface of the incident bar. When the copper disk is impacted by the striker bar, a nondispersive ramp pulse propagates in the incident bar and produces a nearly constant strain rate in a rock sample. Data from experiments with limestone show that the samples are in dynamic stress equilibrium and have constant strain rates over most of the duration of the tests. We also present analytical models that predict the time durations for sample equilibrium and constant strain rate. Model predictions are in good agreement with measurements.

The influence of the substrate on the translational and orientational ordering in sub-monolayer films of passivated multiply-twinned gold clusters has been investigated using high resolution and dark field transmission electron microscopy. Although clear differences were observed in the degree of translational ordering on amorphous carbon and etched silicon substrates, there was no corresponding variation in the crystallographic orientation of the nanocrystal cores. The results demonstrate that the orientation of passivated clusters with multiply-twinned cores is effectively random with respect to both the superlattice and the substrate.

This paper examines the impact of inserting Micro-Electro-Mechanical Systems (MEMS) into US defense applications. As specific examples, the impacts of micro Inertial Measurement Units (IMUs), radio frequency MEMS (RF MEMS), and Micro-Opto-Electro-Mechanical Systems (MOEMS) to provide integrated intelligence, communication, and control to the defense infrastructure with increased affordability, functionality, and performance are highlighted.

In this paper the authors present performance results from several parallel benchmarks and applications on a 400-node Linux cluster at Sandia National Laboratories. They compare the results on the Linux cluster to performance obtained on a traditional distributed-memory massively parallel processing machine, the Intel TeraFLOPS. They discuss the characteristics of these machines that influence the performance results and identify the key components of the system software that they feel are important to allow for scalability of commodity-based PC clusters to hundreds and possibly thousands of processors.

We report the growth and characterization of quaternary AlGaInN. A combination of photoluminescence (PL), high-resolution x-ray diffraction (XRD), and Rutherford backscattering spectrometry (RBS) characterizations enables us to explore the contours of constant PL peak energy and lattice parameter as functions of the quaternary compositions. The observation of room temperature PL emission at 351nm (with 20% Al and 5% In) renders initial evidence that the quaternary could be used to provide confinement for GaInN (and possibly GaN). AlGaInN/GrdnN MQW heterostructures have been grown; both XRD and PL measurements suggest the possibility of incorporating this quaternary into optoelectronic devices.

We describe parallel simulations of viscous, incompressible, free surface, Newtonian fluid flow problems that include dynamic contact lines. The Galerlin finite element method was used to discretize the fully-coupled governing conservation equations and a ''pseudo-solid'' mesh mapping approach was used to determine the shape of the free surface. In this approach, the finite element mesh is allowed to deform to satisfy quasi-static solid mechanics equations subject to geometric or kinematic constraints on the boundaries. As a result, nodal displacements must be included in the set of problem unknowns. Issues concerning the proper constraints along the solid-fluid dynamic contact line in three dimensions are discussed. Parallel computations are carried out for an example taken from the coating flow industry, flow in the vicinity of a slot coater edge. This is a three-dimensional free-surface problem possessing a contact line that advances at the web speed in one region but transitions to static behavior in another part of the flow domain. Discussion focuses on parallel speedups for fixed problem size, a class of problems of immediate practical importance.

The analysis of many complex multiphase fluid flow systems is based on a scale decoupling procedure. At the macroscale continuum models are used to perform large-scale simulations. At the mesoscale statistical homogenization theory is used to derive continuum models based on representative volume elements (RVEs). At the microscale small-scale features, such as interfacial properties, are analyzed to be incorporated into mesoscale simulations. In this research mesoscopic simulations of hard particles suspended in a Newtonian fluid undergoing nonlinear shear flow are performed using a boundary element method. To obtain an RVE at higher concentrations, several hundred particles are included in the simulations, putting considerable demands on the computational resources both in terms of CPU and memory. Parallel computing provides a viable platform to study these large multiphase systems. The implementation of a portable, parallel computer code based on the boundary element method using a block-block data distribution is discussed in this paper. The code employs updated direct-solver technologies that make use of dual-processor compute nodes.

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

For the first time, we show that redox-sensitive metals, which are highly soluble in the oxidized state can be reduced and precipitated from aqueous solution using tin protoporphyrin and light in the presence of an electron donor. Hg{sup 2+} and Cu{sup 2+} were reduced to the metallic state, and Ub{sup 6+} precipitated as oxide with very low volubility, suggesting that removal of these metals via reductive photoreduction and precipitation may be an innovative way for wastewater treatment. Ag{sup 2+} and Au{sup 2+} were reduced to the metallic state and precipitated as nanoparticles. Finally, using tin porphyrins and light for a variety of purposes involving reactions that require a low redox potential may be a good step toward energy conservation and environmentally benign processing.

We report on reduction and precipitation of Se(VI), Pb(II), CU(II), U(VI), Mo(VI), and Cr(VI) in water by cytochrome c{sub 3} isolated from Desulfomicrobium baczdatum [strain 9974]. The tetraheme protein cytochrome c{sub 3} was reduced by sodium dithionite. Redox reactions were monitored by UV-visible spectroscopy of cytochrome c{sub 3}. Analytical electron microscopy work showed that Se(VI), Pb(II), and CU(II) were reduced to the metallic state, U(W) and Mo(W) to U(IV) and Mo(IV), respectively, and Cr(VI) probably to Cr(III). U(IV) and Mo(W) precipitated as oxides and Cr(III) as an amorphous hydroxide. Cytochrome c{sub 3} was used repeatedly in the same solution without loosing its effectiveness. The results suggest usage of cytochrome c{sub 3} to develop innovative and environmentally benign methods to remove heavy metals from waste- and groundwater.

We have investigated the thermochromic transition of an ultrathin poly(diacetylene) film. The Langmuir film is composed of three layers of polymerized 10,12-pentacosadiynoic acid [CH{sub 3}(CH{sub 2}){sub 11}C{triple_bond}CC{triple_bond}C(CH{sub 2}){sub 8}COOH] (poly-PCDA) organized into crystalline domains on a silicon substrate. Spectroscopic ellipsometry and fluorescence intensity measurements are obtained with in-situ temperature control. Poly-PCDA films exhibit a reversible thermal transition between the initial blue form and an intermediate ''purple'' form that exists only at elevated temperature (between 303-333 K), followed by an irreversible transition to the red form after annealing above 320 K. We propose that the purple form is thermally distorted blue poly-PCDA, and may represent a transitional configuration in the irreversible conversion to red. This hypothesis is supported by the appearance of unique features in the absorption spectra for each form as derived from the ellipsometry measurements. Significant fluorescence emission occurs only with the red form, and is reduced at elevated temperatures while the absorption remains unchanged. Reduced emission is likely related to thermal fluctuations of the hydrocarbon side chains. Time-resolved fluorescence measurements of the irreversible transition have been performed. Using a first-order kinetic analysis of these measurements we deduce an energy barrier of 17.6 {+-} 1.1 kcal mol{sup -1} between the blue and red forms.

The interfacial force microscope (IFM) was used to indent and image defect free Au(111) surfaces, providing atomic-scale observations of the onset of pileup and the excursion of material above the initial surface plane. Images and load-displacement measurements demonstrate that elastic accommodation of an indenter is followed by two stages of plasticity. The initial stage is identified by slight deviations of the load-displacement relationship from the predicted elastic response. Images acquired after indentations showing only this first stage indicate that these slight load relaxation events result in residual indentations 0.5 to 4 nm deep with no evidence of pileup or surface orientation dependence. The second stage of plasticity is marked by a series of dramatic load relaxation events and residual indentations tens of nanometers deep. Images acquired following this second stage document 0.25 nm pileup terraces which reflect the crystallography of the surface as well as the indenter geometry. Attempts to plastically displace the indenter 4-10 nanometers deep into the Au(111) surface were unsuccessful, demonstrating that the transition from stage I to stage H plasticity is associated with overcoming some sort of barrier. Stage I is consistent with previously reported models of dislocation nucleation. The dramatic load relaxations of stage II plasticity, and the pileup of material above the surface, require cross-slip and appear to reflect a dynamic process leading to dislocation intersection with the surface. The IFM measurements reported here offer new insights into the mechanisms underlying the very early stages of plasticity and the formation of pileup.

Gamma-densitometry tomography is applied to study the effect of sparger hole geometry, gas flow rate, column pressure, and phase properties on gas volume fraction profiles in bubble columns. Tests are conducted in a column 0.48 m in diameter, using air and mineral oil, superficial gas velocities ranging from 5 to 30 cm s{sup -1}, and absolute column pressures from 103 to 517 kPa. Reconstructed gas volume fraction profiles from two sparger geometries are presented. The development length of the gas volume fraction profile is found to increase with gas flow rate and column pressure. Increases in gas flow rate increase the local gas volume fraction preferentially on the column axis, whereas increases in column pressure produce a uniform rise in gas volume fraction across the column. A comparison of results from the two spargers indicates a significant change in development length with the number and size of sparger holes.

The failure of thermosetting polymer adhesives is an important problem which particularly lacks understanding from the molecular viewpoint. While linear elastic fracture mechanics works well for such polymers far from the crack tip, the method breaks down near the crack tip where large plastic deformation occurs and the molecular details become important [1]. Results of molecular dynamics simulations of highly crosslinked polymer networks bonded to a solid surface are presented here. Epoxies are used as the guide for modeling. The focus of the simulations is the network connectivity and the interfacial strength. In a random network, the bond stress is expected to vary, and the most stressed bonds will break first [2]. Crack initiation should occur where a cluster of highly constrained bonds exists. There is no reason to expect crack initiation to occur at the interface. The results to be presented show that the solid surface limits the interfacial bonding resulting in stressed interfacial bonds and interfacial fracture. The bonds in highly-crosslinked random networks do not become stressed as expected. The sequence of molecular structural deformations that lead to failure has been determined and found to be strongly dependent upon the network connectivity. The structure of these networks and its influence on the stress-strain behavior will be discussed in general. A set of ideal, ordered networks have been constructed to manipulate the deformation sequence to achieve different fracture modes (i.e. cohesive vs. adhesive).

The generalized method of Backus and Gilbert (BG) is described and applied to the inverse problem of obtaining spectra from a 5-channel, filtered array of x-ray detectors (XRD's). This diagnostic is routinely fielded on the Z facility at Sandia National Laboratories to study soft x-ray photons ({le}2300 eV), emitted by high density Z-pinch plasmas. The BG method defines spectral resolution limits on the system of response functions that are in good agreement with the unfold method currently in use. The resolution so defined is independent of the source spectrum. For noise-free, simulated data the BG approximating function is also in reasonable agreement with the source spectrum (150 eV black-body) and the unfold. This function may be used as an initial trial function for iterative methods or a regularization model.

The dynamical behavior of Cl{sup {minus}} and H{sub 2}O molecules in the interlayer and on the (001) surface of the Ca-aluminate hydrate hydrocalumite (Friedel's salt) over a range of temperatures from {minus}100 to 300 C is studied using the technique of isothermal-isobaric molecular dynamics computer simulations. This phase is currently the best available model compound for other, typically more disordered, mixed-metal layered hydroxides. The computed crystallographic parameters and density are in good agreement with available X-ray diffraction data and the force field developed for these simulations preserves the structure and density to within less than 2% of their measured values. In contrast to the highly ordered arrangement of the interlayer water molecules interpreted from the X-ray data, the simulations reveal significant dynamic disorder in water orientations. At all simulated temperatures, the interlayer water molecules undergo rapid librations (hindered hopping rotations) around an axis essentially perpendicular to the layers. This results in breaking and reformation of hydrogen bonds with the neighboring Cl{sup {minus}} anions and in a time-averaged nearly uniaxial symmetry at Cl{sup {minus}}, in good agreement with recent {sup 35}Cl NMR measurements. Power spectra of translational, vibrational, and vibrational motions of interlayer and surface Cl{sup {minus}} and H{sub 2}O were calculated as Fourier transforms of the atomic velocity autocorrelation functions and compared with the corresponding spectra and dynamics for a bulk aqueous solution. The ordered interlayer space has significant effects on the motions. Strong electrostatic attraction between interlayer water molecules and Ca atoms in the principal layer makes the Ca{hor_ellipsis}OH{sub 2} bond direction the preferred axis for interlayer water librations. The calculated diffusion coefficient of Cl{sup {minus}} as an outer-sphere surface complex is almost three times that of inner-sphere Cl{sup {minus}}, but is still about an order of magnitude less than that of Cl{sup {minus}} in bulk aqueous solution at the same temperature.

Many Navier-Stokes codes require that the governing equations be written in conservation form with a source term. The Spalart-Allmaras one-equation model was originally developed in substantial derivative form and when rewritten in conservation form, a density gradient term appears in the source term. This density gradient term causes numerical problems and has a small influence on the numerical predictions. Further work has been performed to understand and to justify the neglect of this term. The transition trip term has been included in the one-equation eddy viscosity model of Spalart-Allmaras. Several problems with this model have been discovered when applied to high-speed flows. For the Mach 8 flat plate boundary layer flow with the standard transition method, the Baldwin-Barth and both k-{omega} models gave transition at the specified location. The Spalart-Allmaras and low Reynolds number k-{var_epsilon} models required an increase in the freestream turbulence levels in order to give transition at the desired location. All models predicted the correct skin friction levels in both the laminar and turbulent flow regions. For Mach 8 flat plate case, the transition location could not be controlled with the trip terms as given in the Spalart-Allmaras model. Several other approaches have been investigated to allow the specification of the transition location. The approach that appears most appropriate is to vary the coefficient that multiplies the turbulent production term in the governing partial differential equation for the eddy viscosity (Method 2). When this coefficient is zero, the flow remains laminar. The coefficient is increased to its normal value over a specified distance to crudely model the transition region and obtain fully turbulent flow. While this approach provides a reasonable interim solution, a separate effort should be initiated to address the proper transition procedure associated with the turbulent production term. Also, the transition process might be better modeled with the Spalart-Allmaras turbulence model with modification of the damping function f{sub v1}. The damping function could be set to zero in the laminar flow region and then turned on through the transition flow region.

Certain applications for pulse power require narrow, high current pulses for their implementation. This work was performed to determine if MCTS (MOS Controlled Thyristors) could be used for these applications. The MCTS were tested as discharge switches in a low inductance circuit delivering 1 {micro}s pulses at currents between roughly 3 kA and 11 kA, single shot and repetitively at 1, 10 and 50 Hz. Although up to 9000 switching events could be obtained, all the devices failed at some combination of current and repetition rate. Failure was attributed to temperature increases caused by average power dissipated in the thyristor during the switching sequence. A simulation was performed to confirm that the temperature rise was sufficient to account for failure. Considerable heat sinking, and perhaps a better thermal package, would be required before the MCT could be considered for pulse power applications.

Inverter type thyristors were switched repetitively to failure with 1 {micro}s pulses at repetition rates of 10, 50 and 100 pps and at peak currents up to 12 kA. Millions of pulses could be obtained before failure if the peak current were held at around 6 kA.

The potential for cooperation between India and Pakistan is substantial. Topics as widely varying as national security, the environment and trade hold the potential for improved bilateral relations. This paper looks at a few areas in which monitoring technology could contribute to enhancing cooperative border agreements between the two nations. The goal of the paper is not to provide prescriptive solutions to regional problems, but to expand the number of options being considered for improving Indian-Pakistan relations. Many of the impediments to bilateral progress are a result of a history of conflict and mistrust. By utilizing technical monitoring and inspections, each side can begin to replace suspicion and doubt with knowledge and information useful in making informed political, economic and military decisions. At the same time, technical monitoring and inspections can build confidence through common interactions. India and Pakistan have pledged to resolve their disputes, including Kashmir, through dialogue. Implementation of that pledge is influenced by a number of factors, including changes in the political systems and the fortunes of the leadership. Events of the past year and a half have severely tested these two governments' ability to move forward along a constructive and positive path. Testing of new missile systems both preceded and followed testing of nuclear weapons in May 1998. Both countries disregarded subsequent international displeasure as they proceeded to openly declare their respective nuclear capability. Their brief engagement with each other in February 1999 and movement toward a rapprochement diluted international condemnation of their nuclear activity. Within a recent period of nine months however, progress in the dialogue has been stalled first by the Pakistani move in Kashmir in May 1999, then by the Indian election in the summer of 1999 and most recently by the military coup in Pakistan.

An assessment was made of the manufacturability of hybrid microcircuit test vehicles assembled using three Pb-free solder compositions 96.5Sn--3.5Ag (wt.%), 91.84Sn--3.33Ag--4.83Bi, and 86.85Sn--3.15Ag--5.0Bi--5.0Au. The test vehicle substrate was 96% alumina; the thick film conductor composition was 76Au--21Pt--3Pd. Excellent registration between the LCCC or chip capacitor packages and the thick film solder pads was observed. Reduced wetting of bare (Au-coated) LCCC castellations was eliminated by hot solder dipping the I/Os prior to assembly of the circuit card. The Pb-free solders were slightly more susceptible to void formation, but not to a degree that would significantly impact joint functionality. Microstructural damage, while noted in the Sn-Pb solder joints, was not observed in the Pb-free interconnects.

High-speed multiplication is frequently used in general-purpose and application-specific computer systems. These systems often support integer multiplication, where two n-bit integers are multiplied to produce a 2n-bit product. To prevent growth in word length, processors typically return the n least significant bits of the product and a flag that indicates whether or not overflow has occurred. Alternatively, some processors saturate results that overflow to the most positive or most negative representable number. This paper presents efficient methods for performing unsigned or two's complement integer multiplication with overflow detection or saturation. These methods have significantly less area and delay than conventional methods for integer multiplication with overflow detection and saturation.

The authors have demonstrated a functional MOCVD-grown AlGaAs/InGaAsN/GaAsPnP DHBT that is lattice matched to GaAs and has a peak current gain ({beta}) of 25. Because of the smaller bandgap (E{sub g}=1.20eV)of In{sub 0.03}Ga{sub 0.97}As{sub 0.99}N{sub 0.01} used for the base layer, this device has a low V{sub ON} of 0.79 V, 0.25 V lower than in a comparable Pnp AlGaAs/GaAs HBT. The BV{sub CEO} is 12 V, consistent with its GaAs collector thickness and doping level.

A high voltage GaAs HBT with an open-base collector breakdown voltage of 106 V and an open-emitter breakdown voltage of 134 V has been demonstrated. A high quality 9.0 {micro}m thick collector doped to 2.0{times}10{sup 15} cm{sup {minus}3} grown by MBE on a doped GaAs substrate is the key to achieving this breakdown. These results were achieved for HBTs with 4{times}40 {micro}m{sup 2} emitters. DC current gain of 38 at 6,000 A/cm{sup 2} was measured.

The Reproducing Kernel Particle Method (RKPM) is a discretization technique for partial differential equations that uses the method of weighted residuals, classical reproducing kernel theory and modified kernels to produce either ``mesh-free'' or ``mesh-full'' methods. Although RKPM has many appealing attributes, the method is new, and its numerical performance is just beginning to be quantified. In order to address the numerical performance of RKPM, von Neumann analysis is performed for semi-discretizations of three model one-dimensional PDEs. The von Neumann analyses results are used to examine the global and asymptotic behavior of the semi-discretizations. The model PDEs considered for this analysis include the parabolic and hyperbolic (first and second-order wave) equations. Numerical diffusivity for the former and phase speed for the later are presented over the range of discrete wavenumbers and in an asymptotic sense as the particle spacing tends to zero. Group speed is also presented for the hyperbolic problems. Excellent diffusive and dispersive characteristics are observed when a consistent mass matrix formulation is used with the proper choice of refinement parameter. In contrast, the row-sum lumped mass matrix formulation severely degraded performance. The asymptotic analysis indicates that very good rates of convergence are possible when the consistent mass matrix formulation is used with an appropriate choice of refinement parameter.

The authors have demonstrated a functional NpN double heterojunction bipolar transistor (DHBT) using InGaAsN for base layer. The InGaP/In{sub 0.03}Ga{sub 0.97}As{sub 0.99}N{sub 0.01}/GaAs DHBT has a low V{sub ON} of 0.81 V, which is 0.13 V lower than in a InGaP/GaAs HBT. The lower V{sub ON} is attributed to the smaller bandgap (E{sub g}=1.20eV) of MOCVD grown In{sub 0.03}Ga{sub 0.97}As{sub 0.99}N{sub 0.01} base layer. GaAs is used for the collector; thus the BV{sub CEO} is 10 V, consistent with the BV{sub CEO} of InGaP/GaAs Hbts of comparable collector thickness and doping level. To alleviate the current blocking phenomenon caused by the larger {triangle}E{sub C} between InGaAsN and GaAs, a graded InGaAs layer with {delta}-doping is inserted at the base-collector junction. The improved device has a peak current gain of 7 with ideal IV characteristics.

The authors compare the results of a microscopic laser theory with gain and recombination currents obtained from experimental spontaneous emission spectra. The calculated absorption spectrum is first matched to that measured on a laser, ensuring that the quasi-Fermi levels for the calculation and the experiment (spontaneous emission and gain) are directly related. This allows one to determine the inhomogeneous broadening in their experimental samples. The only other inputs to the theory are literature values of the bulk material parameter. The authors then estimate the non-radiative recombination current associated with the well and wave-guide core from a comparison of measured and calculated recombination currents.

Surface acoustic wave (SAW) sensors, which are sensitive to a variety of surface changes, have been widely used for chemical and physical sensing. The ability to control or compensate for the many surface forces has been instrumental in collecting valid data. In cases where it is not possible to neglect certain effects, such as frequency drift with temperature, methods such as the dual sensor technique have been utilized. This paper describes a novel use of a dual sensor technique, using two sensor materials, Quartz and GaAs, to separate out the contributions of mass and modulus of the frequency change during gas adsorption experiments. The large modulus change in the film calculated using this technique, and predicted by the Gassmann equation, provide a greater understanding of the challenges of SAW sensing.

The Nuclear Power Engineering Corporation of Japan and the US Nuclear Regulatory Commission Office of Nuclear Regulatory Research, are co-sponsoring and jointly funding a Cooperative Containment Research Program at Sandia National Laboratories, Albuquerque, New Mexico, USA. As a part of this program, a steel containment vessel model and contact structure assembly was tested to failure with over pressurization at Sandia on December 11--12, 1996. The steel containment vessel model was a mixed-scale model (1:10 in geometry and 1:4 in shell thickness) of a steel containment for an improved Mark-II Boiling Water Reactor plant in Japan. The contact structure, which is a thick, bell-shaped steel shell separated at a nominally uniform distance from the model, provides a simplified representation of features of the concrete reactor shield building in the actual plant. The objective of the internal pressurization test was to provide measurement data of the structural response of the model up to its failure in order to validate analytical modeling, to find its pressure capacity, and to observe the failure model and mechanisms.

The executive branch of the United States government has acknowledged and identified threats to the water supply infrastructure of the United States. These threats include contamination of the water supply, aging infrastructure components, and malicious attack. Government recognition of the importance of providing safe, secure, and reliable water supplies has a historical precedence in the water works of the ancient Romans, who recognized the same basic threats to their water supply infrastructure the United States acknowledges today. System surety is the philosophy of ''designing for threats, planning for failure, and managing for success'' in system design and implementation. System surety is an alternative to traditional compliance-based approaches to safety, security, and reliability. Four types of surety are recognized: reactive surety; proactive surety, preventative surety; and fundamental, inherent surety. The five steps of the system surety approach can be used to establish the type of surety needed for the water infrastructure and the methods used to realize a sure water infrastructure. The benefit to the water industry of using the system surety approach to infrastructure design and assessment is a proactive approach to safety, security, and reliability for water transmission, treatment, distribution, and wastewater collection and treatment.

Structural adhesive joints, when tested as made, typically fail cohesively through the centerline of the adhesive. However, in any study of adhesive joint durability, failure near the adhesive/substrate interface becomes an important consideration. In the current study, an interfacially debonding adhesive test, the notched coating adhesion (NCA) test, was applied to LaRC(trademark) PETI-5 adhesive bonded to chronic acid anodized (CAA) Ti-6Al-4V. Post-failure analysis of the interphase region included X-ray photoelectron spectroscopy (XPS), Auger electron spectroscopy (AES), field emission scanning electron microscopy (FE-SEM), and atomic force microscopy (AFM). Mechanical interlocking between an adhesive and a substrate occurs when the liquid adhesive flows into interstices of the substrate, solidifies, and becomes locked in place. Mechanical interlocking is believed to significantly contribute to the adhesion of substrates that exhibit microroughness, such as metal surfaces treated with chromic acid anodization or sodium hydroxide anodization. Filbey and Wightman found that an epoxy penetrated the pores of CAA Ti-6Al-4V, one of the limited number of pore penetration studies that have been reported. In the current study, the penetration of PETI-5 into the pores of CAA Ti-6Al-4V is investigated through analysis of adhesive/substrate failure surfaces.

A study of the errors introduced when one-dimensional inverse heat conduction techniques are applied to problems involving two-dimensional heat transfer effects was performed. The geometry used for the study was a cylinder with similar dimensions as a typical container used for the transportation of radioactive materials. The finite element analysis code MSC P/Thermal was used to generate synthetic test data that was then used as input for an inverse heat conduction code. Four different problems were considered including one with uniform flux around the outer surface of the cylinder and three with non-uniform flux applied over 360{degree}, 180{degree}, and 90{degree} sections of the outer surface of the cylinder. The Sandia One-Dimensional Direct and Inverse Thermal (SODDIT) code was used to estimate the surface heat flux of all four cases. The error analysis was performed by comparing the results from SODDIT and the heat flux calculated based on the temperature results obtained from P/Thermal. Results showed an increase in error of the surface heat flux estimates as the applied heat became more localized. For the uniform case, SODDIT provided heat flux estimates with a maximum error of 0.5% whereas for the non-uniform cases, the maximum errors were found to be about 3%, 7%, and 18% for the 360{degree}, 180{degree}, and 90{degree} cases, respectively.

The recent development of downhole tiltmeter arrays for monitoring hydraulic fractures has provided new information on fracture growth and geometry. These downhole arrays offer the significant advantages of being close to the fracture (large signal) and being unaffected by the free surface. As with surface tiltmeter data, analysis of these measurements requires the inversion of a crack or dislocation model. To supplement the dislocation models of Davis [1983], Okada [1992] and others, this work has extended several elastic crack solutions to provide tilt calculations. The solutions include constant-pressure 2D, penny-shaped, and 3D-elliptic cracks and a 2D-variable-pressure crack. Equations are developed for an arbitrary inclined fracture in an infinite elastic space. Effects of fracture height, fracture length, fracture dip, fracture azimuth, fracture width and monitoring distance on the tilt distribution are given, as well as comparisons with the dislocation model. The results show that the tilt measurements are very sensitive to the fracture dimensions, but also that it is difficult to separate the competing effects of the various parameters.

Efficient (1.2% yield) multikilovolt x-ray emission from Ba(L) (2.4--2.8{angstrom}) and Gd(L) (1.7--2.1{angstrom}) is produced by ultraviolet (248nm) laser-excited BaF{sub 2} and Gd solids. The high efficiency is attributed to an inner shell-selective collisional electron ejection. Much effort has been expended recently in attempts to develop an efficient coherent x-ray source suitable for high-resolution biological imaging. To this end, many experiments have been performed studying the x-ray emissions from high-Z materials under intense (>10{sup 18}W/cm{sup 2}) irradiation, with the most promising results coming from the irradiation of Xe clusters with a UV (248nm) laser at intensities of 10{sup 18}--10{sup 19}W/cm{sup 2}. In this paper the authors report the production of prompt x-rays with energies in excess of 5keV with efficiencies on the order of 1% as a result of intense irradiation of BaF{sub 2} and Gd targets with a terawatt 248nm laser. The efficiency is attributed to an inner shell-selective collisional electron ejection mechanism in which the previously photoionized electrons are ponderomotively driven into an ion while retaining a portion of their atomic phase and symmetry. This partial coherence of the laser-driven electrons has a pronounced effect on the collisional cross-section for the electron ion interaction.

UV filaments in air have been examined on the basis of the diameter and length of the filament, the generation of new spectral components, and the ionization by multiphoton processes. There have been numerous observations of filaments at 800 nm. The general perception is that, above a critical power, the beam focuses because nonlinear self-lensing overcomes diffraction. The self-focusing proceeds until an opposing higher order nonlinearity forms a stable balance.

The past several years rendered a resurgence of interest in phosphors for low-voltage flat panel displays utilizing cathodoluminescence (CL). A major selection criterion for these phosphors is CL efficiency. The objective is to maximize the efficiency at low voltages. This work focuses on understanding the materials properties that influence CL efficiency below 1 kV. Existing high-voltage CL efficiency models take into account intrinsic materials properties such as band-gap energy. Experimental data reveals that the CL efficiency also depends on physical properties such as particle and crystallite size. An update, predictive model of CL efficiency that includes the effects of crystallite size, radiative recombination probability, and electron accelerating potential was developed. The predicted efficiencies agree very well with experimental results. The experimental data were collected using a hot filament electron gun in a demountable high-vacuum chamber. To obtain measurement accuracy, secondary electrons were collected and the phosphor excited with a uniform beam profile. A CL characterization protocol for display phosphors was established at Sandia National Laboratories and made available to phosphor researchers.

Fine particle porous {alpha}-alumina has been prepared by a wet chemical method of combustion synthesis using an aqueous precursor containing aluminum nitrate (oxidizer) and carbohydrazide, an organic fuel as starting materials. The aluminum nitrate and carbohydrazide were reacted exothermically at 400--600 C. The synthesis of {alpha}-alumina ({alpha}-Al{sub 2}O{sub 3}) was used as a model for understanding the effects of processing parameters on physical properties such as surface area, average pore size, and residual carbon content. The porous powders were characterized using x-ray diffraction (XRD), scanning electron microscopy (SEM), BET surface area analysis and elemental analysis. The decomposition of the starting materials was investigated using differential thermal and thermogravimetric analyses (DTA/TGA). It has been shown that the furnace temperature, fuel/oxidizer ratio, and precursor water content can be tailored to produce powders with different physical properties.

This paper describes three-dimensional microstructures fabricated in a planar process and assembled in a single step. Multiple plates are constrained by hinges in such a way as to reduce the assembly process to a single degree-of-freedom of motion. Serial microassembly of these structures is simpler; moreover, self-assembly using hydrodynamic forces during release is much more feasible than with earlier, multiple degree-of-freedom hinged structures. A 250-{micro}m corner cube reflector, a 6-sided closed box, and a 3-D model of the Berkeley Campanile clock tower have been demonstrated in the 4-level polysilicon SUMMiT MEMS foundry.

The authors demonstrate, for the first time, a functional N-p-n heterojunction bipolar transistor using a novel material, InGaAsN, with a bandgap energy of 1.2eV as the p-type base layer. A 300{angstrom}-thick In{sub x}Ga{sub 1-x}As graded layer was introduced to reduce the conduction band offset at the p-type InGaAsN base and n-type GaAs collector junction. For an emitter size of 500 {mu}m{sup 2}, a peak current gain of 5.3 has been achieved.

The authors demonstrated a functional PnP double heterojunction bipolar transistor (DHBT) using AlGaAs, InGaAsN, and GaAs. The band alignment between InGaAsN and GaAs has a large {triangle}E{sub c} and negligible {triangle}E{sub v}, this unique characteristic is very suitable for PnP DHBT applications. The metalorganic vapor phase epitaxy (MOCVD) grown Al{sub 0.3}Ga{sub 0.7}As/In{sub 0.03}Ga{sub 0.97}As{sub 0.99}N{sub 0.01}/GaAs PnP DHBT is lattice matched to GaAs and has a peak current gain of 25. Because of the smaller bandgap (E{sub g}=1.20eV) of In{sub 0.03}Ga{sub 0.97}As{sub 0.99}N{sub 0.01} used for the base layer, this device has a low V{sub ON} of 0.79 V, which is 0.25 V lower than in a comparable Pnp AlGaAs/GaAs HBT. And because GaAs is used for the collector, its BV{sub CEO} is 12 V, consistent with BV{sub CEO} of AlGaAs/GaAs HBTs.

The natural space radiation environment presents a great challenge to present and future satellite systems with significant assets in space. Defining requirements for such systems demands knowledge about the space radiation environment and its effects on electronics and optoelectronics technologies, as well as suitable risk assessment of the uncertainties involved. For mission of high radiation levels, radiation-hardened integrated circuits will be required to preform critical mission functions. The most successful systems in space will be those that are best able to blend standard commercial electronics with custom radiation-hardened electronics in a mix that is suitable for the system of interest.

A new mode of operation for an ion mobility spectrometer (IMS) has been demonstrated that uses potential wells to trap and separate ions by their mobility. This mode of operation has been made feasible by the improvements in personal computers that now allow real-time control of the potentials on ring electrodes in the IMS drift tube. This mode of operation does not require a shutter grid and allows the accumulation of ions in the potential well to enhance the ion signal. Loss of ions from the potential well is controlled by the radial electric fields required by Gauss's law.

In their recent paper, Djikpesse and Tarantola (Geophysics 65 (4) pp. 1023-1035, hereinafter D and T) raise a central question about geophysical inversion: how accurately must the physics of seismic waves in the Earth be modeled in order that inversion succeed? Two general criteria for successful inversion appear in D and T's discussion: fit of predicted to observed data, and prediction of Earth structure. The hypothesis underlying inversion is that these criteria are unextricably linked, so that data fit should lead to accurate inference of subsurface features. The authors have also worked on the data discussed in D and T, using different modeling choices and inversion algorithms but also achieving quite successful inversions, in both senses. They feel that a brief comparison of methods and results might highlight the subtle relation between accuracy in modeling and success in inversion as well as raising questions about the appropriateness of D and T's modeling and inversion choices.

Phosphonate binding sites in guanidine and ammonium surface-functionalized silica xerogels were prepared via the molecular imprinting technique and characterized using solid state {sup 31}P MAS NMR. One-point, two-point, and non-specific host-guest interactions between phenylphosphonic acid (PPA) and the functionalized gels were distinguished by characteristic chemical shifts of the observed absorption peaks. Using solid state as well as solution phase NMR analyses, absorptions observed at 15.5 ppm and 6.5 ppm were identified as resulting from the 1:1 (one-point) and 2:1 (two-point) guanidine to phosphonate interactions, respectively. Similar absorptions were observed with the ammonium functionalized gels. By examining the host-guest interactions within the gels, the efficiency of the molecular imprinting procedure with regard to the functional monomer-to-template interaction could be readily assessed. Template removal followed by substrate adsorption studies conducted on the guanidine functionalized gels provided a method to evaluate the binding characteristics of the receptor sites to a phosphonate substrate. During these experiments, {sup 29}Si and {sup 31}P MAS NMR acted as diagnostic monitors to identify structural changes occurring in the gel matrix and at the receptor site from solvent mediated processes.

The adequacy for laboratory testing of four dolomite cores from the Culebra Dolomite of the Rustler Formation at the Waste Isolation Pilot Plant near Carlsbad, New Mexico, were evaluated using representative elementary volume (REV) theory. Gamma ray computerized tomography created three-dimensional grids of bulk density and macropore index over volumes from 1.4 x 10-7 to 1.6 L. Three different methods for both volume averaging and REV analysis were applied and compared. Both density and macropore index converged to single values with increasing volume, which meets the most common qualitative definition of a REV. Statistical test results for the relatively homogeneous samples indicate that volumes larger than 1 to 7 mL have constant properties. Contrarily, a highly varied sample required 250 and 373 mL to achieve invariant density and macropore characteristics, respectively. Prismatic volume averaging was found to be better than slice averaging, while a qualitative test for the REV provided similar results as a rigorous statistical method. All cores were larger than the REV but were significantly different from one another. This implies that multiple cores are necessary to determine the entire range of transport properties within the rock.

The effective-porosity approach and the dual-porosity approach are examined as two alternative conceptual models of radionuclide migration in fractured media of the saturated zone at Yucca Mountain. Numerical simulations of onedimensional radionuclide transport are performed for the domain relevant to repository performance assessment using the two alternative conceptual approaches. Dual-porosity solute transport modeling produces similar results to effective-porosity modeling for fracture spacing of less than approximately 1 m and greater than about 200 m, which corresponds to values of effective porosity equal to the matrix porosity and the fracture porosity, respectively. For intermediate values of fracture spacing, the dual-porosity approach results in concentration breakthrough curves that differ significantly from the effectiveporosity approach and are characterized by earlier first arrival, greater apparent dispersion, and lower concentrations at later times. The effective-porosity approach, as implemented in recent performance assessment analyses of saturated zone transport at Yucca Mountain, is conservative compared to the dual-porosity approach in terms of both radionuclide concentrations and, generally, travel times.

Injection of high power, multi-mode laser profiles into a fiber optic delivery system requires controlling a number of injection parameters to maximize throughput and minimize concerns for optical damage both at the entrance and exit faces of the fiber optic. A simple method for simultaneously achieving a compact fiber injection geometry and control of these injection parameters, independent of the input source characteristics, is provided by a refractive lenslet array and simple injection lens configuration. Design criteria together with analytical and experimental results for the refractive lenslet array and short focal length injection lens are presented. This arrangement provides a uniform spatial intensity distribution at the fiber injection plane to a large degree independent of the source mode structure, spatial profile, divergence, size, and/or alignment to the injection system. This technique has application to a number of laser systems where uniform illumination of a target or remote delivery of high peak power is desired.

SNLO is public domain software developed at Sandia Nat. Labs. It is intended to assist in the selection of the best nonlinear crystal for a particular application, and in predicting its performance. This paper briefly describes its functions and how to use them.

The variation of the value of the linewidth of an excitonic transition in InGaAsN alloys (1% and 2% nitrogen) as a function of hydrostatic pressure using photoluminescence spectroscopy is studied at 4 K. The excitonic linewidth increases as a function of pressure until about 100 kbar after which it tends to saturate. This pressure dependent excitonic linewidth is used to derive the pressure variation of the exciton reduced mass using a theoretical formalism based on the premise that the broadening of the excitonic transition is caused primarily by compositional fluctuations in a completely disordered alloy. The linewidth derived ambient pressure masses are compared and found to be in agreement with other mass measurements. The variation of this derived mass is compared with the results from a nearly first-principles approach in which calculations based on the local density approximation to the Kohn-Sham density functional theory are corrected using a small amount of experimental input.

In this paper, we overview several of the critical materials growth, design and performance issues for nitride-based UV (<400 nm) LEDs. The critical issue of optical efficiency is presented through temperature-dependent photoluminescence studies of various UV active regions. These studies demonstrate enhanced optical efficiencies for active regions with In-containing alloys (InGaN, AlInGaN). We discuss the trade-off between the challenging growth of high Al containing alloys (AlGaN, AlGaInN), and the need for sufficient carrier confinement in UV heterostructures. Carrier leakage for various composition AlGaN barriers is examined through a calculation of the total unconfined carrier density in the quantum well system. We compare the performance of two distinct UV LED structures: GaN/AlGaN quantum well LEDs for λ<360 nm emission, and InGaN/AlGaInN quantum well LEDs for 370 nm<λ<390 nm emission.

The following topics related to radionuclide and colloid transport in the Culebra Dolomite in the 1996 performance assessment for the Waste Isolation Pilot Plant (WIPP) are presented: (i) mathematical description of models: (ii) uncertainty and sensitivity analysis results arising from subjective (i,e. epistemic) uncertainty for individual releases; and (iii) construction of complementary cumulative distribution functions (CCDFs) arising from stochastic (i.e. aleatory) uncertainty. The presented results indicate that radionuclide and colloid transport in the Culebra Dolomite does not constitute a serious threat to the effectiveness of the WIPP as a disposal facility for transuranic waste. Even when the effects of uncertain analysis inputs are taken into account, no radionuclide transport to the boundary with the accessible environment was observed; thus, the associated CCDFs for comparison with the boundary line specified in the US Environmental Protection Agency's standard for the geologic disposal of radioactive waste (40 CFR 191, 40 CFR 194) are degenerate in the sense of having a probability of zero of exceeding a release of zero.

We have designed and assembled two generations of integrated micro-optical systems that deliver pump light and detect broadband laser-induced fluorescence in micro-fluidic chemical separation systems employing electrochromatography. The goal is to maintain the sensitivity attainable with larger, tabletop machines while decreasing package size and increasing throughput (by decreasing the required chemical volume). One type of micro-optical system uses vertical-cavity surface-emitting lasers (VCSELs) as the excitation source. Light from the VCSELs is relayed with four-level surface relief diffractive optical elements (DOEs) and delivered to the chemical volume through substrate-mode propagation. Indirect fluorescence from dye-quenched chemical species is collected and collimated with a high numerical aperture DOE. A filter blocks the excitation wavelength, and the resulting signal is detected as the chemical separation proceeds. Variations of this original design include changing the combination of reflective and transmissive DOEs and optimizing the high numerical aperture DOE with a rotationally symmetric iterative discrete on-axis algorithm. We will discuss the results of these implemented optimizations.

The requirement to efficiently form images over a large range of geometries has a profound impact on the design of a Synthetic Aperture Radar (SAR) system. This article shows how a data set conducive to efficient processing might increase the total RF bandwidth. It also presents examples of how a fixed RF bandwidth might then limit SAR geometries.

Because of limited direct observation, understanding of the interior conditions of the massive storage caverns constructed in Gulf Coast salt domes is realizable only through predictions of salt response. Determination of the potential for formation of salt spalls, leading to eventual salt falls, is based on salt creep and fracture using the Multimechanism-Deformation Coupled Fracture (MCDF) model. This is a continuum model for creep, coupled to continuum damage evolution. The model has been successfully tested against underground results of damage around several test rooms at the Waste Isolation Pilot Plant (WIPP). Model simulations, here, evaluate observations made in the Strategic Petroleum Reserve (SPR), storage caverns, namely, the accumulation of material on cavern floors and evidence of salt falls. A simulation of a smooth cavern wall indicates damage is maximum at the surface but diminishes monotonically into the salt, which suggests the source of salt accumulation is surface sluffing. If a protuberance occurs on the wall, fracture damage can form beneath the protuberance, which will eventually cause fracture, and lead to a salt fall.

This paper will describe an algorithm for detecting and classifying seismic and acoustic signals for unattended ground sensors. The algorithm must be computationally efficient and continuously process a data stream in order to establish whether or not a desired signal has changed state (turned-on or off). The paper will focus on describing a Fourier-based technique that compares the running power spectral density estimate of the data to a predetermined signature in order to determine if the desired signal has changed state. How to establish the signature and the detection thresholds will be discussed as well as the theoretical statistics of the algorithm for the Gaussian noise case with results from simulated data. Actual seismic data results will also be discussed along with techniques used to reduce false alarms due to the inherent nonstationary noise environments found with actual data.

We study the low-temperature in-plane magnetoconductance of vertically coupled double quantum wires. Using a novel flip-chip technique, the wires are defined by two pairs of mutually aligned split gates on opposite sides of a≤1 micron thick AlGaAs/GaAs double quantum well heterostructure. We observe quantized conductance steps due to each quantum well and demonstrate independent control of each 1D wire. A broad dip in the magnetoconductance at approximately 6 T is observed when a magnetic field is applied perpendicular to both the current and growth directions. This conductance dip is observed only when 1D subbands are populated in both the top and bottom constrictions. This data is consistent with a counting model whereby the number of subbands crossing the Fermi level changes with field due to the formation of an anticrossing in each pair of 1D subbands.

A simple numerical procedure for predicting damage and permeability in the disturbed rock zone (DRZ) is given. The empirical procedure predicts damage based on a function of stress tensor invariants. For a wttte class of problems hydro logic/mechanical coupling is necessary for proper analysis. The RATDAMPER procedure incorporates dilatant volumetric strain and permeability. It has been implemented in a weakly coupled code, which combines a finite element structural code and a finite difference multi-phase fluid flow code. Using the development of inelastic volumetric strain, a value of permeability can be assigned. This flexibility allows empirical permeability functional relationships to be evaluated.

The design of general-purpose dynamic load-balancing tools for parallel applications is more challenging than the design of static partitioning tools. Both algorithmic and software engineering issues arise. We have addressed many of these issues in the design of the Zoltan dynamic load-balancing library. Zoltan has an object-oriented interface that makes it easy to use and provides separation between the application and the load-balancing algorithms. It contains a suite of dynamic load-balancing algorithms, including both geometric and graph-based algorithms. Its design makes it valuable both as a partitioning tool for a variety of applications and as a research test-bed for new algorithmic development. In this paper, we describe Zoltan's design and demonstrate its use in an unstructured-mesh finite element application.

Intelligent, integrated microsystems combine some or all of the functions of sensing, processing information, actuation, and communication within a single integrated package, and preferably upon a single silicon chip. As the elements of these highly integrated solutions interact strongly with each other, the microsystems can be neither designed nor fabricated piecemeal, in contrast to the more familiar assembled products. Driven by technological imperatives, microsystems will best be developed by multi-disciplinary teams, most likely within flatter, less hierarchical organizations. Standardization of design and process tools around a single, dominant technology will expedite economically viable operation under a common production infrastructure. The production base for intelligent, integrated microsystems has elements in common with the mathematical theory of chaos. Similar to chaos theory, the development of microsystems technology will be strongly dependent on, and optimized to, the initial product requirements that will drive standardization-thereby further rewarding early entrants to integrated microsystems technology.

Monte Carlo (MC) 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 (2D) exchange and double-quantum (2Q) nuclear magnetic resonance (NMR) experiments of phosphate glasses. These MC simulations demonstrate that the polyhedron connectivity is best described by a random distribution in lithium phosphate and calcium phosphate glasses.

Junction field effect transistors (JFET) were fabricated on a GaN epitaxial structure grown by metal organic chemical vapor deposition. The DC and microwave characteristics, as well as the high temperature performance of the devices were studied. These devices exhibited excellent pinch-off and a breakdown voltage that agreed with theoretical predictions. An extrinsic transconductance (gm) of 48 mS/mm was obtained with a maximum drain current (ID) of 270 mA/mm. The microwave measurement showed an fT of 6 GHz and an fmax of 12 GHz. Both the ID and the gm were found to decrease with increasing temperature, possibly due to lower electron mobility at elevated temperatures. These JFETs exhibited a significant current reduction after a high drain bias was applied, which was attributed to a partially depleted channel caused by trapped electrons in the semi-insulating GaN buffer layer.

An overview of the use of classical mechanical molecular simulations of porphyrins, hydroporphyrins and heme proteins is given. The topics cover molecular mechanics calculations of structures and conformer energies of porphyrins, energies of barriers for interconversion between stable conformers, molecular dynamics of porphyrins and heme proteins, and normal-coordinate structural analysis of experimental and calculated porphyrin structures. Molecular mechanics and dynamics are currently a fertile area of research on porphyrins. In the future, other computational methods such as Monte Carlo simulations, which have yet to be applied to porphyrins, will come into use and open new avenues of research into molecular simulations of porphyrins. Copyright (C) 2000 John Wiley and Sons, Ltd.

Using an interfacial force microscope, the measured elastic response of 100-nm-thick Au films was found to be strongly correlated with the films' stress state and thermal history. Large, reversible variations (2×) of indentation modulus were recorded as a function of applied stress. Low-temperature annealing caused permanent changes in the films' measured elastic properties. The measured elastic response was also found to vary in close proximity to grain boundaries in thin films and near surface steps on single-crystal surfaces. These results demonstrate a complex interdependence of stress state, defect structure, and elastic properties in thin metallic films.

This paper is an overview of the wafer and reticle positioning system of the Extreme Ultraviolet Lithography (EUVL) Engineering Test Stand (ETS). EUVL represents one of the most promising technologies for supporting the integrated circuit (IC) industry's lithography needs for critical features below 100 nm. EUVL research and development includes development of capabilities for demonstrating key EUV technologies. The ETS is under development at the EUV Virtual National Laboratory, to demonstrate EUV full-field imaging and provide data that supports production-tool development. The stages and their associated metrology operate in a vacuum environment and must meet stringent outgassing specifications. A tight tolerance is placed on the stage tracking performance to minimize image distortion and provide high position repeatability. The wafer must track the reticle with less than ±3 nm of position error and jitter must not exceed 10 nm rms. To meet these performance requirements, magnetically levitated positioning stages utilizing a system of sophisticated control electronics will be used. System modeling and experimentation have contributed to the development of the positioning system and results indicate that desired ETS performance is achievable.

Two-phase characteristic curves are necessary for the simulation of water and vapor flow in porous media. Existing functions such as van Genuchten [1980], Brooks and Corey [1966], and Luckner et al. [1989] have significant limitations in the dry region as the liquid saturation goes to zero. This region, which is important in a number of applications, including liquid and vapor flow and vapor-solid sorption, has been the subject of a number of previous investigations. Most previous studies extended standard capillary pressure curves into the adsorption region to zero water content and required a refitting of the revised curves to the data. In contrast, the present method provides for a simple extension of existing capillary pressure curves without the need to refit the experimental data. Therefore previous curve fits can be used, and the transition between the existing fit and the relationship in the adsorption region is easily calculated. The data-model comparison shows good agreement. This extension is a simple and convenient way to extend existing curves to the dry region.

A significant improvement to the classical least-squares (CLS) multivariate analysis method has been developed. The new method, called prediction-augmented classical least-squares (PACLS), removes the restriction for CLS that all interfering spectral species must be known and their concentrations included during the calibration. We demonstrate that PACLS can correct inadequate CLS models if spectral components left out of the calibration can be identified and if their 'spectral shapes' can be derived and added during a PACLS prediction step. The new PACLS method is demonstrated for a system of dilute aqueous solutions containing urea, creatinine, and NaCl analytes with and without temperature variations. We demonstrate that if CLS calibrations are performed with only a single analyte's concentrations, then there is little, if any, prediction ability. However, if pure-component spectra of analytes left out of the calibration are independently obtained and added during PACLS prediction, then the CLS prediction ability is corrected and predictions become comparable to that of a CLS calibration that contains all analyte concentrations. It is also demonstrated that constant-temperature CLS models can be used to predict variable-temperature data by employing the PACLS method augmented by the spectral shape of a temperature change of the water solvent. In this case, PACLS can also be used to predict sample temperature with a standard error of prediction of 0.07°C even though the calibration data did not contain temperature variations. The PACLS method is also shown to be capable of modeling system drift to maintain a calibration in the presence of spectrometer drift.

MicroElectroMechanical Systems (MEMS) were subjected to a vibration environment that had a peak acceleration of 120 g and spanned frequencies from 20 to 2000 Hz. The device chosen for this test was a surface-micromachined microengine because it possesses many elements (springs, gears, rubbing surfaces) that may be susceptible to vibration. The microengines were unpowered during the test. We observed 2 vibration-related failures and 3 electrical failures out of 22 microengines tested. Surprisingly, the electrical failures also arose in four microengines in our control group indicating that they were not vibration related. Failure analysis revealed that the electrical failures were due to shorting of stationary comb fingers to the ground plane.

Scattering to extinction cross-section ratios, ρse, were measured using the NIST Large Agglomerate Optics Facility for soot produced from ethene and acetylene laminar diffusion flames. Measurements were performed using light sources at 543.5 nm, 632.8 nm, and 856 nm. The average scattering to extinction cross-section ratios for these wavelengths are equal to 0.245, 0.195, and 0.195 for ethene and 0.311, 0.228, and 0.237 for acetylene. The 856 nm measurements represent the longest wavelength for which accurate scattering measurements have been performed for soot. The size distribution and fractal properties of the two soots were determined to assess the effects of limited acceptance angle range, finite size of the sensor, and departure from cosine response on the uncertainty in the measurement of ρse. The expanded relative uncertainty (95% confidence level) was found to be ±6% at the two visible wavelengths and ±8% at 856 nm. Both the magnitude and wavelength dependence of ρse for the present experiments are significantly different from those reported by Krishnan et al. [7] for overfire soot produced using a turbulent flame. The results are compared with the predictions of fractal optics.

In order to determine the susceptibility of our MEMS (MicroElectroMechanical Systems) devices to shock, tests were performed using haversine shock pulses with widths of 1 to 0.2 ms in the range from 500 g to 40,000 g. We chose a surface-micromachined microengine because it has all the components needed for evaluation: springs that flex, gears that are anchored, and clamps and spring stops to maintain alignment. The microengines, which were unpowered for the tests, performed quite well at most shock levels with a majority functioning after the impact. Debris from the die edges moved at levels greater than 4,000 g causing shorts in the actuators and posing reliability concerns. The coupling agent used to prevent stiction in the MEMS release weakened the die-attach bond, which produced failures at 10,000 g and above. At 20,000 g we began to observe structural damage in some of the thin flexures and 2.5-micron diameter pin joints. We observed electrical failures caused by the movement of debris. Additionally, we observed a new failure mode where stationary comb fingers contact the ground plane resulting in electrical shorts. These new failures were observed in our control group indicating that they were not shock related.

Dispersion of solutes in a variable aperture fracture results from a combination of molecular diffusion and velocity variations in both the plane of the fracture (macrodispersion) and across the fracture aperture (Taylor dispersion). We use a combination of physical experiments and computational simulations to test a theoretical model in which the effective longitudinal dispersion coefficient D(L) is expressed as a sum of the contributions of these three dispersive mechanisms. The combined influence of Taylor dispersion and macrodispersion results in a nonlinear dependence of D(L) on the Peclet number (Pe = V/D(m), where V is the mean solute velocity,is the mean aperture, and D(m) is the molecular diffusion coefficient). Three distinct dispersion regimes become evident: For small Pe (Pe << 1), molecular diffusion dominates resulting in D(L) proportional to Pe0; for intermediate Pe, macrodispersion dominates (D(L) proportional to Pe); and for large Pe, Taylor dispersion dominates (D(L) proportional to Pe2). The Pe range corresponding to these different regimes is controlled by the statistics of the aperture field. In particular, the upper limit of Pe corresponding to the macrodispersion regime increases as the macrodispersivity increases. Physical experiments in an analog, rough-walled fracture confirm the nonlinear Pe dependence of D(L) predicted by the theoretical model. However, the theoretical model underestimates the magnitude of D(L). Computational simulations, using a particle-tracking algorithm that incorporates all three dispersive mechanisms, agree very closely with the theoretical model predictions. The close agreement between the theoretical model and computational simulations is largely because, in both cases, the Reynolds equation describes the flow field in the fracture. The discrepancy between theoretical model predictions and D(L) estimated from the physical experiments appears to be largely, due to deviations from the local cubic law assumed by the Reynolds equation.

A long-standing goal of the equation of state (EOS) community has been the development of a loading capability for direct measurement of material properties along an isentrope. Previous efforts on smooth bore launchers have been somewhat successful, but quite difficult to accurately reproduce, had pressure limitations, or tended to be a series of small shocks as opposed to a smoothly increasing pressure load. A technique has recently been developed on the Sandia National Laboratories Z accelerator which makes use of the high current densities and magnetic fields available to produce nearly isentropic compression of samples that are approximately 1 mm in thickness over approximately 120 ns. Velocity interferometry is used to measure the rear surface motion of these samples. The resulting time resolved velocity profiles from multiple sample thicknesses provide information about mechanical response under isentropic loading conditions and phase transition kinetics. Feasibility experiments have been performed to pressures of approximately 130 kbar in copper and 300 kbar in iron with effects of the α–ε phase change kinetics in iron clearly observed. Work is in progress to achieve 1%–2% accuracy in [formula omitted] space along an isentrope, provide uniaxial strain, and to eliminate magnetic field and current diffusion within the sample of interest. © 2000, American Institute of Physics. All rights reserved.

The success of bandgap engineering has made high-efficiency broadband multi-junction solar cells possible with photo-response out to the band edge of germanium. Modeling has been conducted which suggests that current double-layer antireflection coating technology is not adequate for these devices in certain cases. Approaches for the development of higher performance antireflection coatings are examined. A new antireflection coating structure based on the use of Herpin equivalent layers is presented. Optical modeling of the new AR coating suggests a decrease in the solar weighted reflectance of 2.5% absolute over typically used double-layer antireflection coatings. This structure requires no additional optical material development and characterization because no new optical materials are necessary. Experimental results and a sensitivity analysis are presented. © 2000 Elsevier Science B.V. All rights reserved.

Structural dynamic systems are often attached to a support structure to simulate proper boundary conditions during testing. In some cases, the support structure is fairly simple and can be modeled by discrete springs and dampers. In other cases, the desired test conditions necessitate the use of a support structure which introduces dynamics of its own. For such cases, a more complex structural dynamic model is required to simulate the response of the full combined system. In this paper, experimental frequency response functions, admittance function modeling concepts, and least squares reductions are used to develop a support structure model including both translational and rotational degrees of freedom at an attachment location. Subsequently, the modes of the support structure are estimated, and a NASTRAN model is created for attachment to the tested system.