Publications

The worst case bias during total dose irradiation of partially depleted SOI transistors (from SNL and from CEA/LETI) is correlated to the device architecture. Experiments and simulations are used to analyze SOI back transistor threshold voltage shift and charge trapping in the buried oxide.

The optimization of concentrated AlliedSignal GS-44 silicon nitride aqueous slurries for robocasting was investigated. The dispersion mechanisms of GS-44 Si{sub 3}N{sub 4} aqueous suspensions with and without polyacrylate were analyzed. The zero point of charge (ZPC) was at about pH 6. Well-dispersed GS-44 suspensions were obtained in the pH range from 7 to 11 by the addition of Darvan 821A. The influence of pH, amount of Darvan 821A and solids loading on the theological behavior of GS-44 aqueous suspensions was determined. A coagulant, aluminum nitrate, was used to control the yield stress and shear thinning behavior of highly loaded Si{sub 3}N{sub 4} slurries. Homogeneous and stable suspensions of 52 vol% GS-44 Si{sub 3}N{sub 4} were robocast successfully at pH 7.8 to pH 8.5. The sintering process, mechanical properties and microstructural characteristics of robocast GS-44 bars were determined.

The authors use force-probe microscopy to study the friction force and the adhesive interaction for molecular monolayer self-assembled on both Au probe tips and substrate surfaces. By systematically varying the chemical nature of the end groups on these monolayers the authors have, for the first time, delineated the mechanical and chemical origins of molecular-level friction. They use chemically inert {double_bond}CH{sub 3} groups on both interracial surfaces to establish the purely mechanical component of the friction and contrast the results with the findings for chemically active {double_bond}COOH end-groups. In addition, by using odd or even numbers of methylene groups in the alkyl backbones of the molecules they are able to determine the levels of inter-film and intra-film hydrogen bonding.

The authors use scanning probe microscopy to actuate and characterize the nanoscale mechanochromism of polydiacetylene monolayer on atomically-flat silicon oxide substrates. They find explicit evidence that the irreversible blue-to-red transformation is caused by shear forces exerted normal to the polydiacetylene polymer backbone. The anisotropic probe-induced transformation is characterized by a significant change in the tilt orientation of the side chains with respect to the surface normal. They also describe a new technique, based on shear force microscopy, that allows them to image friction anisotropy of polydiacetylene monolayer independent of scan direction. Finally, they discuss preliminary molecular mechanics modeling and electronic structure calculations that allow them to understand the correlation of mechanochromism with bond-angle changes in the conjugated polymer backbone.

Solar thermal-to-electric power plants have been tested and investigated at Sandia National Laboratories (SNL) since the late 1970s, and thermal storage has always been an area of key study because it affords an economical method of delivering solar-electricity during non-daylight hours. This paper describes the design considerations of a new, single-tank, thermal storage system and details the benefits of employing this technology in large-scale (10MW to 100MW) solar thermal power plants. Since December 1999, solar engineers at Sandia National Laboratories' National Solar Thermal Test Facility (NSTTF) have designed and are constructing a thermal storage test called the thermocline system. This technology, which employs a single thermocline tank, has the potential to replace the traditional and more expensive two-tank storage systems. The thermocline tank approach uses a mixture of silica sand and quartzite rock to displace a significant portion of the volume in the tank. Then it is filled with the heat transfer fluid, a molten nitrate salt. A thermal gradient separates the hot and cold salt. Loading the tank with the combination of sand, rock, and molten salt instead of just molten salt dramatically reduces the system cost. The typical cost of the molten nitrate salt is $800 per ton versus the cost of the sand and rock portion at $70 per ton. Construction of the thermocline system will be completed in August 2000, and testing will run for two to three months. The testing results will be used to determine the economic viability of the single-tank (thermocline) storage technology for large-scale solar thermal power plants. Also discussed in this paper are the safety issues involving molten nitrate salts and other heat transfer fluids, such as synthetic heat transfer oils, and the impact of these issues on the system design.

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A figure of merit for optimization of a complete Stokes polarimeter based on its measurement matrix is described from the standpoint of singular value decomposition and analysis of variance. It is applied to optimize a system featuring a rotatable retarder and fixed polarizer, and to study the effects of non-ideal retarder properties. A retardance of 132{degree} (approximately three-eighths wave) and retarder orientation angles of {+-}51.7{degree} and {+-}15.1{degree} are favorable when four measurements are used. An achromatic, form-birefringent retarder for the 3--5 {micro}m spectral region has been fabricated and characterized. The effects of non-idealities in the form-birefringent retarder are moderate, and performance superior to that of a quarter-wave plate is expected.

The construction of inverse states in a finite field F{sub P{sub {alpha}}} enables the organization of the mass scale with fundamental octets in an eight-dimensional index space that identifies particle states with residue class designations. Conformance with both CPT invariance and the concept of supersymmetry follows as a direct consequence of this formulation. Based on two parameters (P{sub {alpha}} and g{sub {alpha}}) that are anchored on a concordance of physical data, this treatment leads to (1) a prospective mass for the muon neutrino of {approximately}27.68 meV, (2) a value of the unified strong-electroweak coupling constant {alpha}* = (34.26){sup {minus}1} that is physically defined by the ratio of the electron neutrino and muon neutrino masses, and (3) a see-saw congruence connecting the Higgs, the electron neutrino, and the muon neutrino masses. Specific evaluation of the masses of the corresponding supersymmetric Higgs pair reveals that both particles are superheavy (> 10{sup 18}GeV). No renormalization of the Higgs masses is introduced, since the calculational procedure yielding their magnitudes is intrinsically divergence-free. Further, the Higgs fulfills its conjectured role through the see-saw relation as the particle defining the origin of all particle masses, since the electron and muon neutrino systems, together with their supersymmetric partners, are the generators of the mass scale and establish the corresponding index space. Finally, since the computation of the Higgs masses is entirely determined by the modulus of the field P{sub {alpha}}, which is fully defined by the large-scale parameters of the universe through the value of the universal gravitational constant G and the requirement for perfect flatness ({Omega} = 1.0), the see-saw congruence fuses the concepts of mass and space and creates a new unified archetype.

Control objectives open an additional front in the survivability battle. A given set of control objectives is valuable if it represents good practices, it is complete (it covers all the necessary areas), and it is auditable. CobiT and BS 7799 are two examples of control objective sets.

Pentachlorophenol (PCP) is a toxic chlorinated aromatic molecule widely used as a fungicide, a bactericide, and a wood preservation, and thus is ubiquitous in the environment. We report photooxidation of PCP using a variety of nanosize semiconductor metal oxides and Sulfides in both aqueous and polar organic solvents and compare the photooxidation kinetics of these nanoclusters to widely studied bulk powders such as Degussa P25 TiO2 and CdS. We study both the light- intensity dependence of PCP photooxidation for nanosize SnO2 and the size dependence of PCP photooxidation for both nanosize SnO2 and MoS2. We find an extremely strong size dependence for the latter which we attribute to its size-dependent band gap and the associated change in redox potentials due to quantum confinement of the hole-electron pair. We show that nanosize MoS2 with a diameter of d = 3.0 nm and an absorbance edge of ∼450 nm is a very effective photooxidation catalyst for complete PCP mineralization, even when using only visible-light irradiation. © 2000 American Chemical Society.

The authors understanding of multiphase physics and the associated predictive capability for multi-phase systems are severely limited by current continuum modeling methods and experimental approaches. This research will deliver an unprecedented modeling capability to directly simulate three-dimensional multi-phase systems at the particle-scale. The model solves the fully coupled equations of motion governing the fluid phase and the individual particles comprising the solid phase using a newly discovered, highly efficient coupled numerical method based on the discrete-element method and the Lattice-Boltzmann method. A massively parallel implementation will enable the solution of large, physically realistic systems.

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This summer, the author was tasked with the development of a design and prototype for a Programming Adapter (PA). This device must interface to a specialized cluster of computers at a US Air Force programming station. The PA is a command/response system capable of recognizing commands from a host Programming Computer (PC) generating a response to these commands according to design requirements. The PA must also route classified serial data between a programming station and any target devices on the PA without compromising the data. In this manner, classified data can pass through the adapter, but when data transfer is complete, the PA can be handled as an unclassified piece of hardware.

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A series of inertial confinement fusion (ICF) capsule experiments were run on the Z machine at Sandia's Pulsed Power directorate. These experiments were designed specifically to implode a 2 mm diameter hollow plastic capsule filled with deuterium gas. The implosion of the capsule should raise the temperature (kinetic energy) of the deuterium gas ions, which will interact with each other and produce 2.45 MeV fusion neutrons. The author is reporting on one diagnostic technique used to measure the yield of these fusion neutrons. The technique chosen to measure the DD neutron yield is the use of lead (Pb) probe detectors. The assignment was to calibrate two detectors for the 2.50-MeV neutrons produced by the deuterium-deuterium fusion reactions on Z. The author introduces ICF, and then describes the theory, the design, and the calibration of the lead probe. Finally, she presents the results of the ICF experiments and explain the difficulties inherent in analyzing the data.

Saturn is a dual-purpose accelerator. It can be operated as a large-area flash x-ray source for simulation testing or as a Z-pinch driver especially for K-line x-ray production. In the first mode, the accelerator is fitted with three concentric-ring 2-MV electron diodes, while in the Z-pinch mode the current of all the modules is combined via a post-hole convolute arrangement and driven through a cylindrical array of very fine wires. We present here a point design for a new Saturn class driver based on a number of linear inductive voltage adders connected in parallel. A technology recently implemented at the Institute of High Current Electronics in Tomsk (Russia) is being utilized. In the present design we eliminate Marx generators and pulse-forming networks. Each inductive voltage adder cavity is directly fed by a number of fast 100-kV small-size capacitors arranged in a circular array around each accelerating gap. The number of capacitors connected in parallel to each cavity defines the total maximum current. By selecting low inductance switches, voltage pulses as short as 30-50-ns FWHM can be directly achieved. The voltage of each stage is low (100-200 kv). Many stages are required to achieve multi-megavolt accelerator output. However, since the length of each stage is very short (4-10 cm), accelerating gradients of higher than 1 MV/m can easily be obtained. The proposed new driver will be capable of delivering pulses of 15-MA, 36-TW, 1.2-MJ to the diode load, with a peak voltage of {minus}2.2 MV and FWHM of 40-ns. And although its performance will exceed the presently utilized driver, its size and cost could be much smaller ({approximately}1/3). In addition, no liquid dielectrics like oil or deionized water will be required. Even elimination of ferromagnetic material (by using air-core cavities) is a possibility.

This report describes the procedure and properties of the software upgrade for the Vibration Performance Recorder. The upgrade will check the 20 memory cards for proper read/write operation. The upgrade was successfully installed and uploaded into the Viper and the field laptop. The memory checking routine must run overnight to complete the test, although the laptop need only be connected to the Viper unit until the downloading routine is finished. The routine has limited ability to recognize incomplete or corrupt header and footer files. The routine requires 400 Megabytes of free hard disk space. There is one minor technical flaw detailed in the conclusion.

In order to exploit the information on surface wave propagation that is stored in large seismic event datasets, Sandia and Lawrence Livermore National Laboratories have developed a MatSeis interface for performing phase-matched filtering of Rayleigh arrivals. MatSeis is a Matlab-based seismic processing toolkit which provides graphical tools for analyzing seismic data from a network of stations. Tools are available for spectral and polarization measurements, as well as beam forming and f-k analysis with array data, to name just a few. Additionally, one has full access to the Matlab environment and any functions available there. Previously the authors reported the development of new MatSeis tools for calculating regional discrimination measurements. The first of these performs Lg coda analysis as developed by Mayeda and coworkers at Lawrence Livermore National Laboratory. A second tool measures regional phase amplitude ratios for an event and compares the results to ratios from known earthquakes and explosions. Release 1.5 of MatSeis includes the new interface for the analysis of surface wave arrivals. This effort involves the use of regionalized dispersion models from a repository of surface wave data and the construction of phase-matched filters to improve surface wave identification, detection, and magnitude calculation. The tool works as follows. First, a ray is traced from source to receiver through a user-defined grid containing different group velocity versus period values to determine the composite group velocity curve for the path. This curve is shown along with the upper and lower group velocity bounds for reference. Next, the curve is used to create a phase-matched filter, apply the filter, and show the resultant waveform. The application of the filter allows obscured Rayleigh arrivals to be more easily identified. Finally, after screening information outside the range of the phase-matched filter, an inverse version of the filter is applied to obtain a cleaned raw waveform which can be used for amplitude measurements. Because all the MatSeis tools have been written as Matlab functions, they can be easily modified to experiment with different processing details. The performance of the propagation models can be evaluated using any event available in the repository of surface wave events.

This is the author's third summer working at Sandia National Laboratories in organization 5712. He is a physics major at Reed College in Portland, Oregon. His work at Sandia began during his senior year at Eldorado High School, when he worked part time and received school credit for participating in the internship program. During that time and two ensuing summers he worked on a variety of projects. These experiences included testing a number of optical-electronic systems, performing such tasks as determining the spectral responsivity of photodiodes and placing optical/electronic systems in front of a variety of light-sources in order to generate calibration curves. He also contributed to the computer generation of data to model a hypothetical satellite-mounted detection system using SSGM (Synthetic Scene Generation Model) and the Khoros visual programming software Cantata on a UNIX operating system. Other experiences included pre-flight satellite testing, and work in the field deploying a suite of sensors and data collection equipment in Nevada. This summer he is involved in image analysis using the software development tools of the Khoros programming environment. He is working on a project whose goal is to identify superimposed spectra obtained from remote-sensing equipment. The spectra to be identified are those of chemical warfare agents and precursor chemicals from the industrial processes used to manufacture them. Identifying these spectra is a challenge when they are mixed with each other and with incident light from the ground and atmosphere--photons that are both reflected from the sun and emitted as blackbody radiation. In order to model this process, he is working on a Khoros program that will add noise to laboratory-obtained spectra from a variety of chemicals. This altered data will mimic what a remote sensing device is likely to record in the field. Given this example of likely field results, developing an ideal sensor and a method to identify spectra from such data will continue for a number of years.

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Computers transfer data in a number of different ways. Whether through a serial port, a parallel port, over a modem, over an ethernet cable, or internally from a hard disk to memory, some data will be lost. To compensate for that loss, numerous error detection and correction algorithms have been developed. One of the most common error correction codes is the Reed-Solomon code, which is a special subset of BCH (Bose-Chaudhuri-Hocquenghem) linear cyclic block codes. In the AURA project, an unmanned aircraft sends the data it collects back to earth so it can be analyzed during flight and possible flight modifications made. To counter possible data corruption during transmission, the data is encoded using a multi-block Reed-Solomon implementation with a possibly shortened final block. In order to maximize the amount of data transmitted, it was necessary to reduce the computation time of a Reed-Solomon encoding to three percent of the processor's time. To achieve such a reduction, many code optimization techniques were employed. This paper outlines the steps taken to reduce the processing time of a Reed-Solomon encoding and the insight into modern optimization techniques gained from the experience.

Fast Z-pinch technology developed on the Z machine at Sandia National Laboratories can produce up to 230 TW of thermal x-ray power for applications in inertial confinement fusion (ICF) and weapons physics experiments. During implosion, these Z-pinches develop Rayleigh-Taylor (R-T) instabilities which are very difficult to diagnose and which functionally diminish the overall pinch quality. The Power-Space-Time (PST) instrument is a newly configured diagnostic for measuring the pinch power as a function of both space and time in a Z-pinch. Placing the diagnostic at 90 degrees from the Z-pinch axis, the PST provides a new capability in collecting experimental data on R-T characteristics for making meaningful comparisons to magneto-hydrodynamic computer models. This paper is a summary of the PST diagnostic design. By slit-imaging the Z-pinch x-ray emissions onto a linear scintillator/fiber-optic array coupled to a streak camera system, the PST can achieve {approximately}100 {micro}m spatial resolution and {approximately}1.3 ns time resolution. Calculations indicate that a 20 {micro}m thick scintillating detection element filtered by 1,000 {angstrom} of Al is theoretically linear in response to Plankian x-ray distributions corresponding to plasma temperatures from 40 eV to 150 eV, By calibrating this detection element to x-ray energies up to 5,000 eV, the PST can provide pinch power as a function of height and time in a Z-pinch for temperatures ranging from {approximately}40 eV to {approximately}400 eV. With these system pm-meters, the PST can provide data for an experimental determination of the R-T mode number, amplitude, and growth rate during the late-time pinch implosion.

A performance evaluation of several computers was necessary, so an evaluation program, or benchmark, was run on each computer to determine maximum possible performance. The program was used to test the Computer Aided Drafting (CAD) ability of each computer by monitoring the speed with which several functions were executed. The main objective of the benchmarking program was to record assembly loading times and image regeneration times and then compile a composite score that could be compared with the same tests on other computers. The three computers that were tested were the Compaq AP550, the SGI 230, and the Hewlett-PackardP750C. The Compaq and SGI computers each had a Pentium III 733mhz processor, while the Hewlett-Packard had a Pentium III 750mhz processor. The size and speed of Random Access Memory (RAM) in each computer varied, as did the type of graphics card. Each computer that was tested was using Windows NT 4.0 and Pro/ENGINEER{trademark} 2000i CAD benchmark software provided by Standard Performance Evaluation Corporation (SPEC). The benchmarking program came with its own assembly, automatically loaded and ran tests on the assembly, then compiled the time each test took to complete. Due to the automation of the tests, any sort of user error affecting test scores was virtually eliminated. After all the tests were completed, scores were then compiled and compared. The Silicon Graphics 230 was by far the overall winner with a composite score of 8.57. The Compaq AP550 was next with a score of 5.19, while the Hewlett-Packard P750C performed dismally, achieving a score of 3.34. Several factors, including motherboard chipset, graphics card, and the size and speed of RAM, were involved in the differing scores of the three machines. Surprisingly the Hewlett-Packard, which had the fastest processor, came back with the lowest score. The above factors most likely contributed to the poor performance of the Hewlett-Packard. Based on the results of the benchmark test, the SGI 230 appears to be the best CAD software solution. The Hewlett-Packard most likely performed poorly due to the fact that it was only running a 100mhz Front Side Bus (FSB), while the SGI machine was running at a 133mhz. The Compaq was using a new type of RAM called RDRAM. While this RAM was at first perceived to be a great performer, various benchmarks, including this one, have found that the computers using RDRAM really only achieve average performance.

Event catalogs for seismic data can become very large. Furthermore, as researchers collect multiple catalogs and reconcile them into a single catalog that is stored in a relational database, the reconciled set becomes even larger. The sheer number of these events makes searching for relevant events to compare with events of interest problematic. Information overload in this form can lead to the data sets being under-utilized and/or used incorrectly or inconsistently. Thus, efforts have been initiated to research techniques and strategies for helping researchers to make better use of large data sets. In this paper, the authors present their efforts to do so in two ways: (1) the Event Search Engine, which is a waveform correlation tool and (2) some content analysis tools, which area combination of custom-built and commercial off-the-shelf tools for accessing, managing, and querying seismic data stored in a relational database. The current Event Search Engine is based on a hierarchical clustering tool known as the dendrogram tool, which is written as a MatSeis graphical user interface. The dendrogram tool allows the user to build dendrogram diagrams for a set of waveforms by controlling phase windowing, down-sampling, filtering, enveloping, and the clustering method (e.g. single linkage, complete linkage, flexible method). It also allows the clustering to be based on two or more stations simultaneously, which is important to bridge gaps in the sparsely recorded event sets anticipated in such a large reconciled event set. Current efforts are focusing on tools to help the researcher winnow the clusters defined using the dendrogram tool down to the minimum optimal identification set. This will become critical as the number of reference events in the reconciled event set continually grows. The dendrogram tool is part of the MatSeis analysis package, which is available on the Nuclear Explosion Monitoring Research and Engineering Program Web Site. As part of the research into how to winnow the reference events in these large reconciled event sets, additional database query approaches have been developed to provide windows into these datasets. These custom built content analysis tools help identify dataset characteristics that can potentially aid in providing a basis for comparing similar reference events in these large reconciled event sets. Once these characteristics can be identified, algorithms can be developed to create and add to the reduced set of events used by the Event Search Engine. These content analysis tools have already been useful in providing information on station coverage of the referenced events and basic statistical, information on events in the research datasets. The tools can also provide researchers with a quick way to find interesting and useful events within the research datasets. The tools could also be used as a means to review reference event datasets as part of a dataset delivery verification process. There has also been an effort to explore the usefulness of commercially available web-based software to help with this problem. The advantages of using off-the-shelf software applications, such as Oracle's WebDB, to manipulate, customize and manage research data are being investigated. These types of applications are being examined to provide access to large integrated data sets for regional seismic research in Asia. All of these software tools would provide the researcher with unprecedented power without having to learn the intricacies and complexities of relational database systems.

The Federal Aviation Administration Airworthiness Assurance NDI Validation Center currently assesses the capability of various non-destructive inspection (NDI) methods used for analyzing aircraft components. The focus of one such exercise is to evaluate the sensitivity of fluorescent liquid penetrant inspection. A baseline procedure using the water-washable fluorescent penetrant method defines a foundation for comparing the brightness of low cycle fatigue cracks in titanium test panels. The analysis of deviations in the baseline procedure will determine an acceptable range of operation for the steps in the inspection process. The data also gives insight into the depth of each crack and which step(s) of the inspection process most affect penetrant sensitivities. A set of six low cycle fatigue cracks produced in 6.35-mm thick Ti-6Al-4V specimens was used to conduct the experiments to produce sensitivity data. The results will document the consistency of the crack readings and compare previous experiments to find the best parameters for water-washable penetrant.

This report provides (1) an overview of all tracer testing conducted in the Culebra Dolomite Member of the Rustler Formation at the Waste Isolation Pilot Plant (WPP) site, (2) a detailed description of the important information about the 1995-96 tracer tests and the current interpretations of the data, and (3) a summary of the knowledge gained to date through tracer testing in the Culebra. Tracer tests have been used to identify transport processes occurring within the Culebra and quantify relevant parameters for use in performance assessment of the WIPP. The data, especially those from the tests performed in 1995-96, provide valuable insight into transport processes within the Culebra. Interpretations of the tracer tests in combination with geologic information, hydraulic-test information, and laboratory studies have resulted in a greatly improved conceptual model of transport processes within the Culebra. At locations where the transmissivity of the Culebra is low (< 4 x 10{sup -6} m{sup 2}/s), we conceptualize the Culebra as a single-porosity medium in which advection occurs largely through the primary porosity of the dolomite matrix. At locations where the transmissivity of the Culebra is high (> 4 x 10{sup -6} m{sup 2}/s), we conceptualize the Culebra as a heterogeneous, layered, fractured medium in which advection occurs largely through fractures and solutes diffuse between fractures and matrix at multiple rates. The variations in diffusion rate can be attributed to both variations in fracture spacing (or the spacing of advective pathways) and matrix heterogeneity. Flow and transport appear to be concentrated in the lower Culebra. At all locations, diffusion is the dominant transport process in the portions of the matrix that tracer does not access by flow.

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The Transportation Surety Center, 6300, has been conducting continuing research into and development of information systems for the Configurable Transportation Security and Information Management System (CTSS) project, an Object-Oriented Framework approach that uses Component-Based Software Development to facilitate rapid deployment of new systems while improving software cost containment, development reliability, compatibility, and extensibility. The direction has been to develop a Fleet Management System (FMS) framework using object-oriented technology. The goal for the current development is to provide a software and hardware environment that will demonstrate and support object-oriented development commonly in the FMS Central Command Center and Vehicle domains.

High-quality ultrathin poly(diacetylene) (PDA) films were produced by using a horizontal Langmuir deposition technique. The resultant films exhibit strong friction anisotropy that is correlated with the direction of the polymer backbone structure. Shear forces applied by atomic force microscopy (AFM) or near field scanning optical microscope (NSOM) tips locally induced the blue-to-red chromatic transition in the PDA films.

Interfacial Force Microscopy (IFM) is a scanning probe technique that employs a force-feedback sensor concept. This article discusses a few examples of IFM applications to polymer surfaces. Through these examples, the ability of IFM to obtain quantitative information on interfacial forces on a controllable manner is demonstrated.

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This report focuses on Sandia National Laboratories' effort to create high-temperature logging tools for geothermal applications without the need for heat shielding. One of the mechanisms for failure in conventional downhole tools is temperature. They can only survive a limited number of hours in high temperature environments. For the first time since the evolution of integrated circuits, components are now commercially available that are qualified to 225 C with many continuing to work up to 300 C. These components are primarily based on Silicon-On-Insulator (SOI) technology. Sandia has developed and tested a simple data logger based on this technology that operates up to 300 C with a few limiting components operating to only 250 C without thermal protection. An actual well log to 240 C without shielding is discussed. The first prototype high-temperature tool measures pressure and temperature using a wire-line for power and communication. The tool is based around the HT83C51 microcontroller. A brief discussion of the background and status of the High Temperature Instrumentation program at Sandia, objectives, data logger development, and future project plans are given.

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Combinatorial Chemistry is a powerful new technology in drug design and molecular recognition. It is a wet-laboratory methodology aimed at ``massively parallel'' screening of chemical compounds for the discovery of compounds that have a certain biological activity. The power of the method comes from the interaction between experimental design and computational modeling. Principles of ``rational'' drug design are used in the construction of combinatorial libraries to speed up the discovery of lead compounds with the desired biological activity. This paper presents algorithms, software development and computational complexity analysis for problems arising in the design of combinatorial libraries for drug discovery. The authors provide exact polynomial time algorithms and intractability results for several Inverse Problems-formulated as (chemical) graph reconstruction problems-related to the design of combinatorial libraries. These are the first rigorous algorithmic results in the literature. The authors also present results provided by the combinatorial chemistry software package OCOTILLO for combinatorial peptide design using real data libraries. The package provides exact solutions for general inverse problems based on shortest-path topological indices. The results are superior both in accuracy and computing time to the best software reports published in the literature. For 5-peptoid design, the computation is rigorously reduced to an exhaustive search of about 2% of the search space; the exact solutions are found in a few minutes.

The design of field emission displays is severely constrained by the universally poor cathodoluminescence (CL) efficiency of most phosphors at low excitation energies. As part of the effort to understand this phenomenon, the authors have measured the time decay of spectrally-resolved, pulsed CL and photoluminescence (PL) in several phosphors activated by rare earth and transition metal impurities, including Y{sub 2}O{sub 3}:Eu, Y{sub 2}SiO{sub 5}:Tb, and Zn{sub 2}SiO{sub 4}:Mn. Activator concentrations ranged from {approximately}0.25 to 10%. The CL decay curves are always non-linear on a log(CL)-linear(time) plot--i.e. they deviate from first order decay kinetics. These deviations are always more pronounced at short times and larger activator concentrations and are largest at low beam energies where the decay rates are noticeably faster. PL decay is always slower than that seen for CL, but these differences disappear after most of the excited species have decayed. They have also measured the dependence of steady state CL efficiency on beam energy. They find that larger activator concentrations accelerate the drop in CL efficiency seen at low beam energies. These effects are largest for the activators which interact more strongly with the host lattice. While activator-activator interactions are known to limit PL and CL efficiency in most phosphors, the present data suggest that a more insidious version of this mechanism is partly responsible for poor CL efficiency at low beam energies. This enhanced concentration quenching is due to the interaction of nearby excited activators. These interactions can lead to non-radiative activator decay, hence lower steady state CL efficiency. Excited state clustering, which may be caused by the large energy loss rate of low energy primary electrons, appears to enhance these interactions. In support of this idea, they find that PL decays obtained at high laser pulse energies resemble the non-linear decays seen in the CL data.

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Studies of the influences of temperature, hydrostatic pressure, dc biasing field and frequency on the dielectric constant ({epsilon}{prime}) and loss (tan {delta}) of single crystal [pb (Zn{sub 1/3}Nb{sub 2/3})O{sub 3}]{sub 0.905} (PbTiO{sub 3}){sub 0.095}, or PZN-9.5PT for short, have provided a detailed view of the ferroelectric (FE) response and phase transitions of this technologically important material. While at 1 bar, the crystal exhibits on cooling a cubic-to-tetragonal FE transition followed by a second transition to a rhombohedral phase, pressure induces a FE-to-relaxer crossover, the relaxer phase becoming the ground state at pressures {ge}5 kbar. Analogy with earlier results suggests that this crossover is a common feature of compositionally-disordered soft mode ferroelectrics and can be understood in terms of a decrease in the correlation length among polar domains with increasing pressure. Application of a dc biasing electric field at 1 bar strengthens FE correlations, and can at high pressure re-stabilize the FE response. The pressure-temperature-electric field phase diagram was established. In the absence of dc bias the tetragonal phase vanishes at high pressure, the crystal exhibiting classic relaxor behavior. The dynamics of dipolar motion and the strong deviation from Curie-Weiss behavior of the susceptibility in the high temperature cubic phase are discussed.

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The authors demonstrate, for the first time, both functional Pnp AlGaAs/InGaAsN/GaAs (Pnp InGaAsN) and Npn InGaP/InGaAsN/GaAs (Npn InGaAsN) double heterojunction bipolar transistors (DHBTs) using a 1.2 eV In{sub 0.03}Ga{sub 0.97}As{sub 0.99}N{sub 0.01} as the base layer for low-power electronic applications. The Pnp InGaAsN DHBT has a peak current gain ({beta}) of 25 and a low turn-on voltage (V{sub ON}) of 0.79 V. This low V{sub ON} is {approximately} 0.25 V lower than in a comparable Pnp AlGAAs/GaAs HBT. For the Npn InGaAsN DHBT, it has a low V{sub ON} of 0.81 V, which is 0.13 V lower than in an InGaP/GaAs HBT. A peak {beta} of 7 with nearly ideal I-V characteristics has been demonstrated. Since GaAs is used as the collector of both Npn and Pnp InGaAsN DHBTs, the emitter-collector breakdown voltage (BV{sub CEO}) are 10 and 12 V, respectively, consistent with the BV{sub CEO} of Npn InGaP/GaAs and Pnp AlGaAs/GaAs HBTs of comparable collector thickness and doping level. All these results demonstrate the potential of InGaAsN DHBTs as an alternative for application in low-power electronics.

The authors have demonstrated an aluminum-free P-n-P GaAs/InGaAsN/GaAs double heterojunction bipolar transistor (DHBT). The device has a low turn-on voltage (V{sub ON}) that is 0.27 V lower than in a comparable P-n-p AlGaAs/GaAs HBT. The device shows near-ideal D. C. characteristics with a current gain ({beta}) greater than 45. The high-speed performance of the device are comparable to a similar P-n-p AlGaAs/GaAs HBT, with f{sub T} and f{sub MAX} values of 12 GHz and 10 GHz, respectively. This device is very suitable for low-power complementary HBT circuit applications, while the aluminum-free emitter structure eliminates issues typically associated with AlGaAs.

Throughout the construction and operation of the caverns of the Strategic Petroleum Reserve (SPR), three types of cavern volume measurements have been maintained. These are: (1) the calculated solution volume determined during initial construction by solution mining and any subsequent solutioning during oil transfers, (2) the calculated sonar volume determined through sonar surveys of the cavern dimensions, and (3) the direct metering of oil to determine the volume of the cavern occupied by the oil. The objective of this study is to compare these measurements to each other and determine, if possible, the uncertainties associated with a given type of measurement. Over time, each type of measurement has acquired a customary, or an industry accepted, stated uncertainty. This uncertainty is not necessarily the result of a technical analysis. Ultimately there is one definitive quantity, the oil volume measure by the oil custody transfer meters, taken by all parties to the transfer as the correct ledger amount and for which the SPR Project is accountable. However, subsequent transfers within a site may not be with meters of the same accuracy. In this study, a very simple theory of the perfect relationship is used to evaluate the correlation (deviation) of the various measures. This theory permits separation of uncertainty and bias. Each of the four SPR sites are examined, first with comparisons between the calculated solution volumes and the sonar volumes determined during construction, then with comparisons of the oil inventories and the sonar volumes obtained either by surveying through brine prior to oil filling or through the oil directly.

Portions of the SmartSampling{trademark} analysis methodology have been applied to the evaluation of radioactive contaminated landscape soils at Brookhaven National Laboratory. Specifically, the spatial, volumetric distribution of cesium-137 ({sup 137}Cs) contamination within Area of Concern 16E-1 has been modeled probabilistically using a geostatistical methodology, with the purpose of identifying the likelihood of successfully reducing, with respect to a pre-existing, baseline remediation plan, the volume of soil that must be disposed of offsite during clean-up. The principal objective of the analysis was to evaluate the likelihood of successful deployment of the Segmented Gate System (SGS), a novel remediation approach that emphasizes real-time separation of clean from contaminated materials during remediation operations. One primary requirement for successful application of the segmented gate technology investigated is that a variety of contaminant levels exist at the deployment site, which would enable to the SGS to discriminate material above and below a specified remediation threshold value. The results of this analysis indicate that there is potential for significant volume reduction with respect to the baseline remediation plan at a threshold excavation level of 23 pCi/g {sup 137}Cs. A reduction of approximately 50%, from a baseline volume of approximately 1,064.7 yd{sup 3} to less than 550 yd{sup 3}, is possible with acceptance of only a very small level of engineering risk. The vast majority of this volume reduction is obtained by not excavating almost all of levels 3 and 4 (from 12 to 24 inches in depth), which appear to be virtually uncontaminated, based on the available data. Additional volume reductions related to soil materials on levels 1 (depths of 0--6 inches) and 2 (6--12 inches) may be possible, specifically through use of the SGS technology. Level-by-level evaluation of simulation results suggests that as much as 26 percent of level 1 and as much as 65% of level 2 soils may actually be uncontaminated. Additionally, numerical experiments have been conducted to investigate the effects of selective excavation on the volume and average activity of the remediated materials. These numerical experiments indicate that nonselective excavation may result in mixing of contaminated and uncontaminated materials such that the total volume of material above the threshold excavation level of 23 pCi/g may exceed the baseline volume, thus defeating volume-reduction efforts.

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An optical method of detecting a liquid level is presented that uses fluorescence radiation generated in an impurity-doped glass or plastic slab. In operation, the slab is inserted into the liquid and pump light is coupled into it so that the light is guided by the slab-air interface above the liquid and escapes into the liquid just below its surface. Since the fluorescence is generated only in that section of the slab above the liquid, the fluorescence power will monotonically decrease with increasing liquid level. Thus, a relationship can be established between any signal proportional to it and the, liquid level. Because optical fibers link the pump source and the detector of fluorescence radiation to the sensor, no electrical connections are needed in or near the liquid. Their absence vastly decreases the hazard associated with placing a liquid level sensor in a potentially explosive environment. A laboratory prototype, consisting of a methyl styrene slab doped with an organic dye, has been built and successfully tested in water. Its response to liquid level when pumped by a tunable argon-ion laser at 476, 488, and 496 nm, and by a blue LED, is presented and shown to be consistent with theory. The fluorescence spectra, optical efficiency, temperature, and other effects are also presented and discussed.

The density of threading dislocations (TD) in GaN grown directly on flat sapphire substrates is typically greater than 10{sup 9}/cm{sup 2}. Such high dislocation densities degrade both the electronic and photonic properties of the material. The density of dislocations can be decreased by orders of magnitude using cantilever epitaxy (CE), which employs prepatterned sapphire substrates to provide reduced-dimension mesa regions for nucleation and etched trenches between them for suspended lateral growth of GaN or AlGaN. The substrate is prepatterned with narrow lines and etched to a depth that permits coalescence of laterally growing III-N nucleated on the mesa surfaces before vertical growth fills the etched trench. Low dislocation densities typical of epitaxial lateral overgrowth (ELO) are obtained in the cantilever regions and the TD density is also reduced up to 1 micrometer from the edge of the support regions.

Sandia National Laboratories has continued to evaluate the performance of infrasound sensors that are candidates for use by the International Monitoring System (IMS) for the Comprehensive Nuclear-Test-Ban Treaty Organization. The performance criteria against which these sensors are assessed are specified in ``Operational Manual for Infra-sound Monitoring and the International Exchange of Infrasound Data''. This presentation includes the results of efforts concerning two of these sensors: (1) Chaparral Physics Model 5; and (2) CEA MB2000. Sandia is working with Chaparral Physics in order to improve the capability of the Model 5 (a prototype sensor) to be calibrated and evaluated. With the assistance of the Scripps Institution of Oceanography, Sandia is also conducting tests to evaluate the performance of the CEA MB2000. Sensor models based on theoretical transfer functions and manufacturer specifications for these two devices have been developed. This presentation will feature the results of coherence-based data analysis of signals from a huddle test, utilizing several sensors of both types, in order to verify the sensor performance.

All stations planned for the International Monitoring System (IMS) must be certified by the Provisional Technical Secretariat (PTS) prior to acceptance to ensure that the monitoring stations initially meet the required specifications. Working Group B of the Preparatory Commission for the Comprehensive Nuclear-Test-Ban Treaty has established requirements for the quality, availability, and surety of data received at the International Data Centre (IDC). These requirements are verified by the PTS during a 3-component process that includes initial station assessment, testing and evaluation, and certification. Sandia National Laboratories has developed procedures, facilities, and tools that can be used to assist in evaluating IMS stations for compliance with certification requirements. System evaluation includes station design reviews, component testing, and operational testing of station equipment. Station design is evaluated for security and reliability considerations, and to ensure that operational procedures and documentation are adequate. Components of the station are tested for compliance with technical specifications, such as timing and noise levels of sampled data, and monitoring of tamper detection equipment. Data sent from the station in an IMS-standard format (CD-1 or IMS-1) are analyzed for compliance with the specified protocol and to ensure that the station data (sensor and state-of-health) are accurately transmitted. Data availability and authentication statistics are compiled and examined for problems.

For the WIPP, chemical and physical characteristics of MgO suggest it to be the most beneficial backfill choice, particularly because it has the ability to buffer the aqueous chemical conditions to control actinide volubility. In the current experimental program, the authors are developing a technical basis for taking credit for the complete set of attributes of MgO in geochemical, hydrogeological, and geomechanical technical areas, resulting in an improved conceptual model for the WIPP such as the following. Water uptake by MgO will delay the development of mobile actinides and gas generation by microbes and corrosion. Reduced gas generation will reduce or even eliminate spallings releases. As MgO hydrates, it swells, reducing porosity and permeability, which will inhibit gas flow in the repository, in turn reducing spallings releases. Hydration will also result in a self-sealing mechanism by which water uptake and swelling of MgO adjacent to a groundwater seep cuts off further seepage. Reaction with some groundwaters will produce cementitious materials, which will help to cement waste particles or produce a cohesive solid mass. Larger particles are less likely to be entrained in a spallings release. If sufficient water eventually accumulates in a repository to support microbial gas generation, magnesium carbonate cements will form; also producing good cohesion and strength.

The aim of this paper is to understand the numerous nuclear-related agreements that involve India and Pakistan, and in so doing identify starting points for future confidence-creating and confidence-building projects. Existing nuclear-related agreements provide a framework under which various projects can be proposed that foster greater nuclear transparency and cooperation in South Asia. The basic assumptions and arguments underlying this paper can be summarized as follows: (1) Increased nuclear transparency between India and Pakistan is a worthwhile objective, as it will lead to the irreversibility of extant nuclear agreements, the prospects of future agreements; and the balance of opacity and transparency required for stability in times of crises; (2) Given the current state of Indian and Pakistani relations, incremental progress in increased nuclear transparency is the most likely future outcome; and (3) Incremental progress can be achieved by enhancing the information exchange required by existing nuclear-related agreements.

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A gridless technique for the solution of the integral form of the radiative heat flux equation for emitting and absorbing media is presented. Treatment of non-uniform absorptivity and gray boundaries is included. As part of this work, the authors have developed fast multipole techniques for extracting radiative heat flux quantities from the temperature fields of one-dimensional and three-dimensional geometries. Example calculations include those for one-dimensional radiative heat transfer through multiple flame sheets, a three-dimensional enclosure with black walls, and an axisymmetric enclosure with black walls.

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[Tl(OCH{sub 2}CH{sub 3})]{sub 4}, (1) was reacted with excess HOR to prepare a series of [Tl(OR)]{sub n} where OR= OCHMe{sub 2} (2, n = 4), OCMe{sub 3} (3, n = 4), OCH{sub 2}CMe{sub 3} (4, n = 4), OC{sub 6}H{sub 3}(Me){sub 2}-2,6 (5, n = {infinity}), and OC{sub 6}H{sub 3}(Pr{sup i}){sub 2}-2,6 (6, n = {infinity}). Single crystal X-ray diffraction was used to determine the structure of compounds ligated by more sterically demanding ligands. Compound 4 was found to adopt a cubane structure, while 5 and 6 formed linear polymeric structures. These compounds were additionally characterized by {sup 203,205}Tl solution and {sup 205}Tl solid state NMR. Compounds 1--4 were found to remain intact in solution while the polymeric species, 5 and 6, appeared to be fluxional. While variations in the solution and solid state structures for the tetrameric [Tl(OR)]{sub 4} and polymeric [Tl(OAr)]{sub {infinity}} may be influenced by the steric hindrance of their respective ligands, the covalency of the species is believed to be more an effect of the parent alcohol acidity.

This paper presents techniques for fabricating microscopic, curvilinear features in a variety of workpiece materials. Micro-grooving and micro-threading tools having cutting widths as small as 13 {micro}m are made by focused ion beam sputtering and used for ultra-precision machining. Tool fabrication involves directing a 20 keV gallium beam at polished cylindrical punches made of cobalt M42 high-speed steel or C2 tungsten carbide to create a number of critically aligned facets. Sputtering produces rake facets of desired angle and cutting edges having radii of curvature equal to 0.4 {micro}m. Clearance for minimizing frictional drag of a tool results from a particular ion beam/target geometry that accounts for the sputter yield dependence on incidence angle. It is believed that geometrically specific cutting tools of this dimension have not been made previously. Numerically controlled, ultra-precision machining with micro-grooving tools results in a close match between tool width and feature size. Microtools are used to machine 13 {micro}m wide, 4 {micro}m deep, helical grooves in polymethyl methacrylate and 6061 Al cylindrical workplaces. Micro-grooving tools are also used to fabricate sinusoidal cross-section features in planar metal samples.

The thermal stability of photo-imprinted Bragg gratings formed in reactive-atmosphere, RF-magnetron sputtered germanosilicate thin films was evaluated in terms of point defect modifications observed during isochronal annealing. Optical and magnetic spectroscopes were utilized to evaluate structural relaxation in these sputtered glasses on both a local and medium-range size scale. Depending upon the substrate temperature used during deposition, significant structural rearrangement was found to occur with increasing post-deposition anneal temperature to 600 C. This resulted in changes in the photobleaching response of the material itself as the identity of optically active structural defects evolved. Based on a color center model for photosensitivity in these materials and measured changes in optical absorption with annealing, the thermal stability of a photo-imprinted Bragg grating was modeled. Good qualitative agreement with experiment was observed.

Simulations of granular packings in 2-D by throwing disks in a rectangular die are performed. Different size distributions as bimodal, uniform and gaussian are used. Once the array of particles is done, a relaxation process is carried on using a large-amplitude, low-frequency vertical shaking. This relaxation is performed a number N of times. Then, the authors measure the density of the package, contact distribution, coordination number distribution, entropy and also the disks size distribution vs. height. The dependence of all these magnitudes on the number N of shakings used to relax the packing and on the size distribution parameters are explored and discussed.

The weld solidification and cracking behavior of sulfur bearing free machining austenitic stainless steel was investigated for both gas-tungsten arc (GTA) and pulsed laser beam weld processes. The GTA weld solidification was consistent with those predicted with existing solidification diagrams and the cracking response was controlled primarily by solidification mode. The solidification behavior of the pulsed laser welds was complex, and often contained regions of primary ferrite and primary austenite solidification, although in all cases the welds were found to be completely austenite at room temperature. Electron backscattered diffraction (EBSD) pattern analysis indicated that the nature of the base metal at the time of solidification plays a primary role in initial solidification. The solid state transformation of austenite to ferrite at the fusion zone boundary, and ferrite to austenite on cooling may both be massive in nature. A range of alloy compositions that exhibited good resistance to solidification cracking and was compatible with both welding processes was identified. The compositional range is bounded by laser weldability at lower Cr{sub eq}/Ni{sub eq} ratios and by the GTA weldability at higher ratios. It was found with both processes that the limiting ratios were somewhat dependent upon sulfur content.

This document highlights the Discom{sup 2}'s Distance computing and communication team activities at the 1999 Supercomputing conference in Portland, Oregon. This conference is sponsored by the IEEE and ACM. Sandia, Lawrence Livermore and Los Alamos National laboratories have participated in this conference for eleven years. For the last four years the three laboratories have come together at the conference under the DOE's ASCI, Accelerated Strategic Computing Initiatives rubric. Communication support for the ASCI exhibit is provided by the ASCI DISCOM{sup 2} project. The DISCOM{sup 2} communication team uses this forum to demonstrate and focus communication and networking developments within the community. At SC 99, DISCOM built a prototype of the next generation ASCI network demonstrated remote clustering techniques, demonstrated the capabilities of the emerging Terabit Routers products, demonstrated the latest technologies for delivering visualization data to the scientific users, and demonstrated the latest in encryption methods including IP VPN technologies and ATM encryption research. The authors also coordinated the other production networking activities within the booth and between their demonstration partners on the exhibit floor. This paper documents those accomplishments, discusses the details of their implementation, and describes how these demonstrations support Sandia's overall strategies in ASCI networking.

A hydroxy-terminated polybutadiene (HTPB)/isophorone diisocyanate (IPDI) elastomer is commonly used as propellant binder material. The thermal degradation of the binder is believed to be an important parameter governing the performance of the propellant. The aging of these binders can be monitored by mechanical property measurements such as modulus or tensile elongation. These techniques, however, are not easily adapted to binder agents that are dispersed throughout a propellant. In this paper the authors investigated solid state NMR relaxation times as a means to predict the mechanical properties of the binder as a function of aging time. {sup 1}H spin-lattice and spin-spin relaxation times were found to be insensitive to the degree of thermal degradation of the elastomer. Apparently these relaxation times depend on localized motions that are only weakly correlated with mechanical properties. A strong correlation was found between the {sup 13}C cross-polarization (CP) NMR time constant, T{sub cp}, and the tensile elongation at break of the elastomer as a function of aging time. A ramped-amplitude CP experiment was shown to be less sensitive to imperfections in setting critical instrumental parameters for this mobile material.

The authors carry out a comparative study of the energetic and dynamics of Si-Si, Ge-Ge, and Ge-Si ad-dimers on top of a dimer row in the Si(001) surface, using first-principles calculations. The dynamic appearance of a Ge-Si dimer is distinctively different from that of a Si-Si or Ge-Ge dimer, providing a unique way for its identification by scanning tunneling microscopy (STM). Its rocking motion, observed in STM, actually reflects a 180{degree} rotation of the dimer, involving a piecewise-rotation mechanism. The calculated energy barrier of 0.74 eV is in good agreement with the experimental value of 0.82 eV.

For many scientific and programmatic applications, it is necessary to determine the shock compression response of materials to several tens of Mbar. In addition, a complete EOS is often needed in these applications, which requires that shock data be supplemented with other information, such as temperature measurements or by EOS data off the principal Hugoniot. Recent developments in the use of fast pulsed power techniques for EOS studies have been useful in achieving these goals. In particular, the Z accelerator at Sandia National Laboratories, which develops over 20 million amperes of current in 100-200 ns, can be used to produce muM-Mbar shock pressures and to obtain continuous compression data to pressures exceeding 1 Mbar. With this technique, isentropic compression data have been obtained on several materials to pressures of several hundred kbar. The technique has also been used to launch ultra-high velocity flyer plates to a maximum velocity of 14 km/s, which can be used to produce impact pressures of several Mbar in low impedance materials and over 10 Mbar in high impedance materials. The paper will review developments in both of these areas.

Terrestrial climate records and historical observations of the Sun suggest that the Sun undergoes aperiodic oscillations in radiative output and size over time periods of centuries and millenia. Such behavior can be explained by the solar convective zone acting as a nonlinear oscillator, forced at the sunspot-cycle frequency by variations in heliomagnetic field strength. A forced variant of the Lorenz equations can generate a time series with the same characteristics as the solar and climate records. The timescales and magnitudes of oscillations that could be caused by this mechanism are consistent with what is known about the Sun and terrestrial climate.

Pulsed power science and engineering activities at Sandia National Laboratories grew out of a programmatic need for intense radiation sources to advance capabilities in radiographic imaging and to create environments for testing and certifying the hardness of components and systems to radiation in hostile environments. By the early 1970s, scientists in laboratories around the world began utilizing pulsed power drivers with very short (10s of nanoseconds) pulse lengths for Inertial Confinement Fusion (ICF) experiments. In the United States, Defense Programs within the Department of Energy has sponsored this research. Recent progress in pulsed power, specifically fast-pulsed-power-driven z pinches, in creating temperatures relevant to ICF has been remarkable. Worldwide developments in pulsed power technologies and increased applications in both defense and industry are contrasted with ever increasing stress on research and development tiding. The current environment has prompted us at Sandia to evaluate our role in the continued development of pulsed power science and to consider options for the future. This presentation will highlight our recent progress and provide an overview of our plans as we begin the new millennium.

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Stable self-channeling of ultra-powerful (P{sub 0} - 1 TW -1 PW) laser pulses in dense plasmas is a key process for many applications requiring the controlled compression of power at high levels. Theoretical computations predict that the transition zone between the stable and highly unstable regimes of relativistic/charge-displacement self-channeling is well characterized by a form of weakly unstable behavior that involves bifurcation of the propagating energy into two powerful channels. Recent observations of channel instability with femtosecond 248 nm pulses reveal a mode of bifurcation that corresponds well to these theoretical predictions. It is further experimentally shown that the use of a suitable longitudinal gradient in the plasma density can eliminate this unstable behavior and restore the efficient formation of stable channels.

The most conspicuous feature of boron carbides' electronic transport properties is their having both high carrier densities and large Seebeck coefficients. The magnitudes and temperature dependencies of the Seebeck coefficients are consistent with large contributions from softening bipolarons: singlet bipolarons whose stabilization is significantly affected by their softening of local vibrations. Boron carbides' high carrier densities, small activation energies for hopping ({approx} 0.16 eV), and anomalously large Seebeck coefficients combine with their low, glass-like thermal conductivities to make them unexpectedly efficient high-temperature thermoelectrics.

Abstract not provided.

Ab-initio formation energies for (100)- and (111)-microfacet steps on Pb(111) are in satisfactory agreement with measured values, given that these values are known only as well as the Pb(111) surface energy; the calculated step-energy ratio, 1.29, is within {approximately}8% of experiment. In contrast, calculated kink-formation energies, 41 and 60 meV for the two step types, are 40--50% below published experimental values derived from STM images. The discrepancy results from interpreting the images with a step-stiffness vs. kink-energy relation appropriate to (100) but not (111) surfaces. Good agreement is found when the step-stiffness data are reinterpreted, taking proper account of the trigonal symmetry of Pb(111).

The intrinsic chirality of metal surfaces with kinked steps (e.g. Pt(643)) endows them with enantiospecific adsorption properties (D. S. Shell, Langmuir, 14, 1998, 862). To understand these properties quantitatively the impact of thermally-driven step wandering must be assessed. The authors derive a lattice-gas model of step motion on Pt(111) surfaces using diffusion barriers from Density Functional Theory. This model is used to examine thermal fluctuations of straight and kinked steps.

Using interracial force microscopy (IFM), the tribological properties of self-assembled monolayer (SAM) on Si surfaces produced by a new chemical strategy are investigated and compared to those of classical SAM systems, which include alkanethiols on Au and alkylsilanes on SiO{sub x}. The new SAM films are prepared by depositing n-alkyl chains with OH-terminations onto Cl-terminated Si substrates. The chemical nature of the actual lubricating molecules, n-dodecyl, is kept constant in all three thin film systems for direct comparison and similarities and differences in tribological properties are observed. The adhesion strength is virtually identical for all three systems; however, frictional properties differ due to differences in film packing. Differences in the chemical bonds that attach the lubricant molecules to the substrate are also discussed as they influence variations in film wear and durability. It is demonstrated that the new SAM films are capable of controlling the friction and adhesion of Si surfaces as well as the classical SAMs in addition to providing a greater potential to be more reproducible and more durable.

The authors report a monolithic coupled-resonator vertical-cavity laser with an ion-implanted top cavity and a selectively oxidized bottom cavity which exhibits bistable behavior in the light output versus injection current. Large bistability regions over current ranges as wide as 18 mA have been observed with on/off contrast ratios of greater than 20 dB. The position and width of the bistability region can be varied by changing the bias to the top cavity. Switching between on and off states can be accomplished with changes as small as 250 {micro}W to the electrical power applied to the top cavity. Theoretical analysis suggests that the bistable behavior is the response of the nonlinear susceptibility in the top cavity to the changes in the bottom intracavity laser intensity as the bottom cavity reaches the thermal rollover point.

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The authors have discussed the three factors that they believe are the most important in determining the difficulty of a beam shaping problem: scaling, smoothness, and coherence. The arguments have been almost completely based on considering how these factors influence beam shaping lenses that were designed using geometrical optics. However, they believe that these factors control the difficulty of beam shaping problems even if one does not base ones design strategy on geometrical optics. For example, they have shown that a lens designed using geometrical optics will not work well unless {beta} is large. However, they have also shown that if {beta} is small the uncertainty principle shows that it is impossible to do a good job of beam shaping no matter how one designs ones lens.

The process of combining nuclei (the protons and neutrons inside an atomic nucleus) together with a release of kinetic energy is called fusion. This process powers the Sun, it contributes to the world stockpile of weapons of mass destruction and may one day generate safe, clean electrical power. Understanding the intricacies of fusion power, promised for 50 years, ,is sometimes difficult because there are a number of ways of doing it. There is hot fusion, cold fusion and con-fusion. Hot fusion is what powers suns through the conversion of mass energy to kinetic energy. Cold fusion generates con-fusion and nobody really knows what it is. Honestly - this is true. There does seem to be something going on here; I just don't know what. Apparently some experimenters get energy out of a process many call cold fission but no one seems to know what it is, or how to do it reliably. It is not getting much attention from the mainline physics community. Even so, no one is generating electrical power for you and me with either method. In this article 1 will point out some basic features of the mainstream approaches taken to hot fusion power, as well as describe why z pinches are worth pursuing as a driver for a power reactor and may one day generate electrical power for mankind.

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An unconstrained minimization algorithm for electronic structure calculations using density functional for systems with a gap is developed to solve for nonorthogonal Wannier-like orbitals in the spirit of E. B. Stechel, A. R. Williams, and P. J. Feibelman, Phys. Rev. B 49, 10,008 (1994). The search for the occupied sub-space is a Grassmann conjugate gradient algorithm generalized from the algorithm of A. Edelman, T.A. Arias, and S. T. Smith, SIAM J. on Matrix Anal. Appl. 20, 303 (1998). The gradient takes into account the nonorthogonality of a local atom-centered basis, gaussian in their implementation. With a localization constraint on the Wannier-like orbitals, well-constructed sparse matrix multiplies lead to O(N) scaling of the computationally intensive parts of the algorithm. Using silicon carbide as a test system, the accuracy, convergence, and implementation of this algorithm as a quantitative alternative to diagonalization are investigated. Results up to 1,458 atoms on a single processor are presented.

The ability to engineer ordered arrays of objects on multiple length scales has potential for applications such as microelectronics, sensors, wave guides, and photonic lattices with tunable band gaps. Since the invention of surfactant templated mesoporous sieves in 1992, great progress has been made in controlling different mesophases in the form of powders, particles, fibers, and films. To date, although there have been several reports of patterned mesostructures, materials prepared have been limited to metal oxides with no specific functionality. For many of the envisioned applications of hierarchical materials in micro-systems, sensors, waveguides, photonics, and electronics, it is necessary to define both form and function on several length scales. In addition, the patterning strategies utilized so far require hours or even days for completion. Such slow processes are inherently difficult to implement in commercial environments. The authors present a series of new methods of producing patterns within seconds. Combining sol-gel chemistry, Evaporation-Induced Self-Assembly (EISA), and rapid prototyping techniques like pen lithography, ink-jet printing, and dip-coating on micro-contact printed substrates, they form hierarchically organized silica structures that exhibit order and function on multiple scales: on the molecular scale, functional organic moieties are positioned on pore surfaces, on the mesoscale, mono-sized pores are organized into 1-, 2-, or 3-dimensional networks, providing size-selective accessibility from the gas or liquid phase, and on the macroscale, 2-dimensional arrays and fluidic or photonic systems may be defined. These rapid patterning techniques establish for the first time a link between computer-aided design and rapid processing of self-assembled nanostructures.

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This paper describes the most recent version of a human reliability analysis (HRA) method called ``A Technique for Human Event Analysis'' (ATHEANA). The new version is documented in NUREG-1624, Rev. 1 [1] and reflects improvements to the method based on comments received from a peer review that was held in 1998 (see [2] for a detailed discussion of the peer review comments) and on the results of an initial trial application of the method conducted at a nuclear power plant in 1997 (see Appendix A in [3]). A summary of the more important recommendations resulting from the peer review and trial application is provided and critical and unique aspects of the revised method are discussed.

We present a computational method that finds an efficient runner network for an investment casting, once the gate locations have been established. The method seeks to minimize a cost function that is based on total network volume. The runner segments are restricted to lie in the space not occupied by the part itself. The collection of algorithms has been coded in C and runner designs have been computed for several real parts, demonstrating substantial reductions in rigging volume.

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Robocasting, a computer controlled slurry deposition technique, was used to fabricate ceramic monoliths and composites of chemically prepared Pb(Zr{sub 0.95}Ti{sub 0.05})O{sub 3} (PZT 95/5) ceramics. Densities and electrical properties of the robocast samples were equivalent to those obtained for cold isostatically pressed (CIP) parts formed at 200 MPa. Robocast composites consisting of alternate layers of the following sintered densities: (93.9%--96.1%--93.9%), were fabricated using different levels of organic pore former additions. Modification from a single to a multiple material deposition robocaster was essential to the fabrication of composites that could withstand repeated cycles of saturated polarization switching under 30 kV/cm fields. Further, these composites withstood 500 MPa hydrostatic pressure induced poled ferroelectric (FE) to antiferroelectric (AFE) phase transformation during which strain differences on the order of 0.8% occurred between composite elements.

In the authors initial high heat flux tests on small mockups armored with W rods, done in the small electron beam facility (EBTS) at Sandia National Laboratories, the mockups exhibited excellent thermal performance. However, to reach high heat fluxes, they reduced the heated area to only a portion ({approximately}25%) of the sample. They have now begun tests in their larger electron beam facility, EB 1200, where the available power (1.2 MW) is more than enough to heat the entire surface area of the small mockups. The initial results indicate that, at a given power, the surface temperatures of rods in the EB 1200 tests is somewhat higher than was observed in the EBTS tests. Also, it appears that one mockup (PW-10) has higher surface temperatures than other mockups with similar height (10mm) W rods, and that the previously reported values of absorbed heat flux on this mockup were too high. In the tests in EB 1200 of a second mockup, PW-4, absorbed heat fluxes of {approximately}22MW/m{sup 2} were reached but the corresponding surface temperatures were somewhat higher than in EBTS. A further conclusion is that the simple 1-D model initially used in evaluating some of the results from the EBTS testing was not adequate, and 3-D thermal modeling will be needed to interpret the results.

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A brief review is given of recent progress in fabrication of high voltage GaN and AlGaN rectifiers, GaN/AlGaN heterojunction bipolar transistors, GaN heterostructure and metal-oxide semiconductor field effect transistors. Improvements in epitaxial layer quality and in fabrication techniques have led to significant advances in device performance.

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The authors have performed first-principles calculations to examine the effects of biaxial strain and chemical ordering on the band gap of wurtzite In{sub x}Ga{sub 1{minus}x}N in the range 0 {le} x {le} 0.5. The results for unstrained, random alloys are in good agreement with theoretical estimates and measurements on unstrained zinc-blende alloys, but are in poor agreement with recent measurements on strained wurtzite alloys which display significantly lower gaps. Biaxial strain is found to have a non-linear effect on calculated alloy gaps, increasing them for x < 0.25 and decreasing them for x > 0.25. However, the overall agreement with measured wurtzite values remains poor. Chemical ordering along the [0001] direction in strained alloys is found to decrease the band gaps considerably, yielding much improved agreement with measurements. They discuss their results with regard to current theories concerning the optical properties of wurtzite InGaN alloys.

S-decorated Cu trimers are investigated as likely agents of S-enhanced Cu transport between clusters on Cu(111). It is shown what Cu3S3 clusters form more readily on Cu(111) than a Cu adatom and what diffuse easily to determine how S acts. Using a systematic ab initio search, results show that the smallest of such cluster is ad-Cu3S3. approximately 0.5 ev formation energy, lower than that of a Cu adatom, and ≤0.35 eV diffusion barrier, corresponding to tight internal bonding, are obtained.

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The Photovoltaic Manufacturing Research and Development project is a government/industry partnership between the US Department of Energy and members of the US photovoltaic (TV) industry. The purpose of the project is to work with industry to improve manufacturing processes, reduce manufacturing costs, and improve the performance of PV products. This project is conducted through phased solicitations with industry participants selected through a competitive evaluation process. Starting in 1995, the two most recent solicitations include manufacturing improvements for balance-of-system (BOS) components, energy storage, and PV system design improvements. This paper surveys the work accomplished since that time, as well as BOS work currently in progress in the PV Manufacturing R and D project to identify areas of continued interest and product trends. Industry participants continue to work to improve inverters and to expand the features and capabilities of this key component. The industry also continues to advance fully integrated systems that meet standards for performance and safety. All participants included manufacturing improvements to reduce costs and improve reliability. Accomplishments of the project's participants are summarized to illustrate the product and manufacturing trends.

The number of commercial airframes exceeding twenty years of service continues to grow. A typical aircraft can experience over 2,000 fatigue cycles (cabin pressurizations) and even greater flight hours in a single year. An unavoidable by-product of aircraft use is that crack and corrosion flaws develop throughout the aircraft's skin and substructure elements. Economic barriers to the purchase of new aircraft have created an aging aircraft fleet and placed even greater demands on efficient and safe repair methods. The use of bonded composite doublers offers the airframe manufacturers and aircraft maintenance facilities a cost effective method to safety extend the lives of their aircraft. Instead of riveting multiple steel or aluminum plates to facilitate an aircraft repair, it is now possible to bond a single Boron-Epoxy composite doubler to the damaged structure. The FAA's Airworthiness Assurance Center at Sandia National Labs (AANC) is conducting a program with Boeing and Federal Express to validate and introduce composite doubler repair technology to the US commercial aircraft industry. This project focuses on repair of DC-10 structure and builds on the foundation of the successful L-1011 door corner repair that was completed by the AANC, Lockheed-Martin, and Delta Air Lines. The L-1011 composite doubler repair was installed in 1997 and has not developed any flaws in over three years of service, As a follow-on effort, this DC-1O repair program investigated design, analysis, performance (durability, flaw containment, reliability), installation, and nondestructive inspection issues. Current activities are demonstrating regular use of composite doubler repairs on commercial aircraft. The primary goal of this program is to move the technology into niche applications and to streamline the design-to-installation process. Using the data accumulated to date, the team has designed, analyzed, and developed inspection techniques for an array of composite doubler repairs with high-use fuselage skin applications. The general DC-10 repair areas which provide a high payoff to FedEx and which minimize design and installation complexities have been identified as follows: (1) gouges, dents, lightning strike, and impact skin damage, and (2) corrosion grind outs in surface skin. This paper presents the engineering activities that have been completed in order to make this technology available for widespread commercial aircraft use.

The National Photovoltaic (PV) Program is sponsored by the US Department of Energy and includes a PV Manufacturing Research and Development (R and D) project conducted with industry. This project includes advancements in PV components to improve reliability, reduce costs, and develop integrated PV systems. Participants submit prototypes, pre-production hardware products, and examples of the resulting final products for a range of tests conducted at several national laboratories, independent testing laboratories, and recognized listing agencies. The purpose of this testing is to use the results to assist industry in determining a product's performance and reliability, and to identify areas for potential improvement. This paper briefly describes the PV Manufacturing R and D project, participants in the area of PV systems, balance of systems, and components, and several examples of the different types of product and performance testing used to support and confirm product performance.

Safety analysis of complex systems depends on decomposing the systems into manageable subsystems, from which analysis can be rolled back up to the system level. The authors have found that there is no single best way to decompose; in fact hybrid combinations of decompositions are generally necessary to achieve optimum results. They are currently using two backbone coordinated decompositions--functional and risk, supplemented by other types, such as organizational. An objective is to derive metrics that can be used to efficiently and accurately aggregate information through analysis, to contribute toward assessing system safety, and to contribute information necessary for defensible decisions.

A new method to generate chemical reaction network is proposed. The particularity of the method is that network generation and mechanism reduction are performed simultaneously using sampling techniques. Our method is tested for hydrocarbon thermal cracking. Results and theoretical arguments demonstrate that our method scales in polynomial time while other deterministic network generator scale in exponential time. This finding offers the possibility to investigate complex reacting systems such as those studied in petroleum refining and combustion.

This paper describes the evolution of the process for assessing the hazards of a geologic disposal system for radioactive waste and, similarly, nuclear power reactors, and the relationship of this process with other assessments of risk, particularly assessments of hazards from manufactured carcinogenic chemicals during use and disposal. This perspective reviews the common history of scientific concepts for risk assessment developed to the 1950s. Computational tools and techniques developed in the late 1950s and early 1960s to analyze the reliability of nuclear weapon delivery systems were adopted in the early 1970s for probabilistic risk assessment of nuclear power reactors, a technology for which behavior was unknown. In turn, these analyses became an important foundation for performance assessment of nuclear waste disposal in the late 1970s. The evaluation of risk to human health and the environment from chemical hazards is built upon methods for assessing the dose response of radionuclides in the 1950s. Despite a shared background, however, societal events, often in the form of legislation, have affected the development path for risk assessment for human health, producing dissimilarities between these risk assessments and those for nuclear facilities. An important difference is the regulator's interest in accounting for uncertainty and the tools used to evaluate it.

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The miscibility of polypropylene (PP) melts in which the chains differ only in stereochemical composition has been investigated by two different procedures. One approach used detailed local information from a Monte Carlo simulation of a single chain, and the other approach takes this information from a rotational isomeric state model devised decades ago, for another purpose. The first approach uses PRISM theory to deduce the intermolecular packing in the polymer blend, while the second approach uses a Monte Carlo simulation of a coarse-grained representation of independent chains, expressed on a high-coordination lattice. Both approaches find a positive energy change upon mixing isotactic PP (iPP) and syndiotactic polypropylene (sPP) chains in the melt. This conclusion is qualitatively consistent with observations published recently by Muelhaupt and coworkers. The size of the energy chain on mixing is smaller in the MC/PRISM approach than in the RIS/MC simulation, with the smaller energy change being in better agreement with the experiment. The RIS/MC simulation finds no demixing for iPP and atactic polypropylene (aPP) in the melt, consistent with several experimental observations in the literature. The demixing of the iPP/sPP blend may arise from attractive interactions in the sPP melt that are disrupted when the sPP chains are diluted with aPP or iPP chains.

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The study of a homologous series of silsesquioxane monomers has uncovered striking discontinuities in gelation behavior. An investigation of the chemistry during the early stages of the polymerization has provided a molecular basis for these observations. Monomers containing from one to four carbon atoms exhibit a pronounced tendency to undergo inter or intramolecular cyclization. The cyclic intermediates have been characterized by {sup 29}Si NMR, chemical ionization mass spectrometry and isolation from the reaction solution. These carbosiloxanes are local thermodynamic sinks that produce kinetic bottlenecks in the production of high molecular weight silsesquioxanes. The formation of cyclics results in slowing down or in some cases completely shutting down gelation. An additional finding is that the cyclic structures are incorporated intact into the final xerogel. Since cyclization alters the structure of the building block that eventually makes up the xerogel network, it is expected that this will contribute importantly to the bulk properties of the xerogel as well.

The syntheses, crystal structures and some properties of {alpha}- and {beta}-ZnHPO{sub 3}{center_dot}N{sub 4}C{sub 2}H{sub 4} are reported. These two polymorphs are the first organically-templated hydrogen phosphites. They are built up from vertex-sharing HPO{sub 3} pseudo pyramids and ZnO{sub 3}N tetrahedra, where the Zn-N bond represents a direct link between zinc and the neutral 2-cyanoguanidine template. {alpha}-ZnHPO{sub 3}{center_dot}N{sub 4}C{sub 2}H{sub 4} is built up from infinite layers of vertex-sharing ZnO{sub 3}N and HPO{sub 3} groups forming 4-rings and 8-rings. {beta}-ZnHPO{sub 3}{center_dot}N{sub 4}C{sub 2}H{sub 4} has strong one-dimensional character, with the polyhedral building units forming 4-ring ladders. Similarities and differences to related zinc phosphates are discussed. Crystal data: {alpha}-ZnHPO{sub 3}{center_dot}N{sub 4}C{sub 2}H{sub 4}, M{sub r} = 229.44, monoclinic, P2{sub 1}/c, a = 9.7718 (5) {angstrom}, b = 8.2503 (4) {angstrom}, c = 9.2491 (5) {angstrom}, {beta} = 104.146 (1){sup 0}, V = 723.1 (1) {angstrom}{sup 3}, R(F) = 2.33%, wR(F) = 2.52%. {beta}-ZnHPO{sub 3}{center_dot}N{sub 4}C{sub 2}H{sub 4}, M{sub r} = 229.44, monoclinic, C2/c, a = 14.5092 (9) {angstrom}, b = 10.5464 (6) {angstrom}, c = 10.3342 (6) {angstrom}, {beta} = 114.290 (1){sup 0}, V = 1441.4 (3) {angstrom}{sup 3}, R(F) = 3.01%, wR(F) = 3.40%.

The structure of Na{sub 16}Nb{sub 12.8}Ti{sub 3.2}O{sub 44.8}(OH){sub 3.2} {center_dot} 8H{sub 2}O, a member of a new family of Sandia Octahedral Molecular Sieves (SOMS) having a Nb/Na/M{sup IV} (M= Ti, Zr) oxide framework and exchangeable Na and water in open channels, was determined from Synchrotron X-ray data. The SOMS phases are isostructural with variable M{sup IV}:Nb(1:50--1:4) ratios. The SOMS are extremely selective for sorption of divalent cations, particularly Sr{sup 2+}. The ion-exchanged SOMS undergo direct thermal conversion to a perovskite-type phase, indicating this is a promising new method for removal and sequestration of radioactive Sr-90 from mixed nuclear wastes.

Magnesium aryloxides were prepared in a variety of solvents through the reaction of dibutyl magnesium with sterically varied aryl alcohols: 2,6-dimethylphenol (H-DMP), 2,6-diisopropylphenol (H-DIP), and 2,4,6-trichlorophenol (H-TCP). Upon using a sufficiently strong Lewis-basic solvent, the monomeric species Mg(DMP){sub 2}(py){sub 3} (1, py = pyridine), Mg(DIP){sub 2}(THF){sub 3}, (2a, THF = tetrahydrofuran) Mg(TCP){sub 2}(THF){sub 3} (3) were isolated. Each of these complexes possesses a five-coordinate magnesium that adopts a trigonal bipyramidal geometry. In the absence of a Lewis base, the reaction with H-DIP yields a soluble trinuclear complex, [Mg(DIP){sub 2}]{sub 3} (2b). The Mg metal centers in 2b adopt a linear arrangement with a four-coordinate central metal while the outer metal centers are reduced to just three-coordinate. Solution spectroscopic methods suggest that while 2b remains intact, the monomeric species (1, 2a, and 3) are involved in equilibria, which facilitate intermolecular ligand transfer.

To confirm conversion of soil Pb to pyromorphite [Pb{sub 5}(PO{sub 4}){sub 3}Cl], a Pb contaminated soil collected adjacent to a historical smelter was reacted with hydroxyapatite in slurries of soil and hydroxyapatite separated by a dialysis membrane and incubated. A crystalline precipitate formed on the dialysis membrane in the slurry systems was identified as chloropyromorphite. Soluble species measured in the soil slurry indicated that dissolution of solid-phase soil Pb was the rate-limiting step for pyromorphite formation. Additionally samples reacted with hydroxyapatite were incubated at field-capacity moisture content. The sequential chemical extraction used to identify species in the field-moist soil incubation experiment showed that hydroxyapatite treatment reduced the first four fractions of extractable Pb and correspondingly increased the recalcitrant extraction residue fraction by 35% of total Pb at 0 d incubation and by 45% after 240 d incubation. the increase in the extraction residue fraction in the 240 d incubation as compared to the 0 d incubation implies that the reaction occurs in the soil but the increase in the hydroxyapatite amended 0 d incubated soil as compared to the control soil illustrates the chemical extraction procedure caused changes in the extractability. Thus, the chemical extraction procedure cannot easily be utilized to confirm changes occurring in the soil as a result of incubation. Extended x-ray absorption fine structure (EXAFS) spectroscopy indicated that the 240 d incubated hydroxyapatite treatment caused a change in the average, local molecular bonding environment of soil Pb. Low-temperature EXAFS spectra (chi data and radial structure functions - RSFs) showed a high degree of similarity between the chemical extraction residue and synthetic pyromorphite. Thus, confirming that the change of soil Pb to pyromorphite is possible by simple amendments of hydroxyapatite to soil.

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The authors describe the microfabrication of a multi-level diffractive optical element (DOE) onto a micro-electromechanical system (MEMS) as a key element in an integrated compact optical-MEMS laser scanner. The DOE is a four-level off-axis microlens fabricated onto a movable polysilicon shuttle. The microlens is patterned by electron beam lithography and etched by reactive ion beam etching. The DOE was fabricated on two generations of MEMS components. The first generation design uses a shuttle suspended on springs and displaced by a linear rack. The second generation design uses a shuttle guided by roller bearings and driven by a single reciprocating gear. Both the linear rack and the reciprocating gear are driven by a microengine assembly. The compact design is based on mounting the MEMS module and a vertical cavity surface emitting laser (VCSEL) onto a fused silica substrate that contains the rest of the optical system. The estimated scan range of the system is {+-}4{degree} with a spot size of 0.5 mm.

A novel planar resonant tunneling transistor is demonstrated. The growth structure is similar to that of a double-barrier resonant tunneling diode (RTD), except for a fully two-dimensional (2D) emitter formed by a quantum well. Current is fed laterally into the emitter, and the 2D--2D resonant tunneling current is controlled by a surface gate. This unique device structure achieves figures-of-merit, i.e. peak current densities and peak voltages, approaching that of state-of-the-art RTDs. Most importantly, sensitive control of the peak current and voltage is achieved by gating of the emitter quantum well subband energy. This quantum tunneling transistor shows exceptional promise for ultra-high speed and multifunctional operation at room temperature.

Using Low Energy Electron Microscopy (LEEM), the authors have followed Cu(100) surface morphology changes during Pb deposition at different temperatures. Surface steps advance and 2-D islands nucleate and grow as deposited Pb first alloys, and then dealloys, on a 125 C Cu(100)surface. From LEEM images, they determine how much Cu is being displaced at each stage and find that the amount of material added to the top layer for a complete Pb/Cu(100) c(4x4) reconstruction (a surface alloy) is consistent with the expected c(4x4) Cu content of 0.5 monolayer. However, as the surface changes to the Pb/Cu(100) c(2x2) overlayer, they find that the displaced material from surface dealloying, 0.22ML, is more than a factor of two lower than expected based on a pure Pb c(2x2) overlayer. Further, they find that in the 70 to 130 C range the amount of Cu remaining in c(2x2) increases with increasing substrate temperature during the deposition, showing that surface Cu is alloyed with Pb in the c(2x2) structure at these temperatures. When holding the sample at 125 C, the transformation from the c(2x2) structure to the higher coverage c(5{radical}2 x{radical}2)R45{degree} overlayer structure displaces more Cu, confirming the c(2x2) surface alloy model. They also find the c(2x2) surface has characteristically square 2-D islands with step edges parallel to the (100) type crystallographic directions, whereas the c(5{radical}2 x{radical}2)R45{degree} structure has line-like features which run parallel to the dislocation double rows of this surface's atomic structure and which expand into 2-D islands upon coarsening.

The authors have investigated the effects of heme rotational isomerism in sperm-whale carbonmonoxy myoglobin using computational techniques. Several molecular dynamics simulations have been performed for the two rotational isomers A and B, which are related by a 180{degree} rotation around the {alpha}-{gamma} axis of the heme, of sperm-whale carbonmonoxy myoglobin in water. Both neutron diffraction and NMR structures were used as starting structures. In the absence of an experimental structure, the structure of isomer B was generated by rotating the heme in the structure of isomer A. Distortions of the heme from planarity were characterized by normal coordinate structural decomposition and by the angle of twist of the pyrrole rings from the heme plane. The heme distortions of the neutron diffraction structure were conserved in the MD trajectories, but in the NMR-based trajectories, where the heme distortions are less well defined, they differ from the original heme deformations. The protein matrix induced similar distortions on the heroes in orientations A and B. The results suggest that the binding site prefers a particular macrocycle conformation, and a 180{degree} rotation of the heme does not significantly alter the protein's preference for this conformation. The intrinsic rotational strengths of the two Soret transitions, separated according to their polarization in the heme plane, show strong correlations with the ruf-deformation and the average twist angle of the pyrrole rings. The total rotational strength, which includes contributions from the chromophores in the protein, shows a weaker correlation with heme distortions.

The authors report on their recent experimental studies of vertically-coupled quantum point contacts subject to in-plane magnetic fields. Using a novel flip-chip technique, mutually aligned split gates on both sides of a sub micron thick double quantum well heterostructure define a closely-coupled pair of ballistic one-dimensional (1D) constrictions. They observe quantized conductance steps due to each quantum well and demonstrate independent control of each ID constriction width. In addition, a novel magnetoconductance feature 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.

The design and performance of Love-wave sensors using cross-linked poly-(methyl methacrylate) waveguides of thickness of 0.3--3.2 {micro}m on LiTaO{sub 3} substrates are described. It is found that this layer-substrate combination provides sufficient waveguidance, and electrical isolation of the IDTs from the liquid environment to achieve low acoustic loss and distortion. In bio-sensing experiments, mass sensitivity up to 1,420 Hz/(ng/mm{sup 2}) is demonstrated.

Abstract not provided.

The effect of the nuclear hyperfine interaction on the dc conductivity of 2D electrons under quantum Hall effect conditions at filling factor v= 1 is observed for the first time. The local hyperfine field enhanced by dynamic nuclear polarization is monitored via the Overhauser shift of the 2D conduction electron spin resonance in AlGaAs/GaAs multiquantum-well samples. The experimentally observed change in the dc conductivity resulting from dynamic nuclear polarization is in agreement with a thermal activation model incorporating the Zeeman energy change due to the hyperfine interaction. The relaxation decay time of the dc conductivity is, within experimental error, the same as the relaxation time of the nuclear spin polarization determined from the Overhauser shift. These findings unequivocally establish the nuclear spin origins of the observed conductivity change.

The authors present the results of molecular dynamics simulations of n-butane and isobutane in silicalite. They begin with a comparison of the bulk adsorption and diffusion properties for two different parameterizations of the interaction potential between the hydrocarbon species, both of which have been shown to reproduce experimental gas-liquid coexistence curves. They examine diffusion as a function of the loading of the zeolite, as well as the temperature dependence of the diffusion constant at loading and for infinite dilution. They continue with simulations in which interfaces are formed between single component gases and the zeolite. After reaching equilibrium, they examine the dynamics of exchange between the bulk gas and the zeolite. Finally, they calculate the permeability of the zeolite for n-butane and isobutane as a function of pressure. Their simulations are performed for a number of different gas temperatures and pressures, covering a wide range of state points.

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Notwithstanding half a dozen theoretical publications, well-converged density-functional calculations, whether based on a local or generalized-gradient exchange-correlation potential, whether all-electron or employing pseudopotentials underestimate CO's preference for low-coordination binding sites on Pt(111) and vicinals to it. For example, they imply that CO should prefer hollow- to atop-site adsorption on Pt(111), in apparent contradiction to a host of low temperature experimental studies.

Solid Polymer Electrolytes (SPE) are widely used in batteries and fuel cells because of the high ionic conductivity that can be achieved at room temperature. The ions are usually Li or protons, although other ions can be shown to conduct in these polymer films. There has been very little published work on SPE films used as chemical sensors. The authors have found that thin films of polymers like polyethylene oxide (PEO) are very sensitive to low concentrations of volatile organic compounds (VOCs) such as common solvents. Evidence of a new sensing mechanism involving the percolation of ions through narrow channels of amorphous polymer is presented. They present impedance spectroscopy of PEO films in the frequency range 0.0001 Hz to 1 MHz for different concentrations of VOCs and relative humidity. They find that the measurement frequency is important for distinguishing ionic conductivity from the double layer capacitance and the parasitic capacitance.

Accurate predictions of retention times, retention indices, and partition constants are a long sought-after goal for theoretical studies in chromatography. Although advances in computational chemistry have improved the understanding of molecular interactions, little attention has been focused on chromatography, let alone calculations of retention properties. Configurational-bias Monte Carlo simulations in the isobaric-isothermal Gibbs ensemble were used to investigate the partitioning of benzene, toluene, and the three xylene isomers between a squalane liquid phase and a helium vapor phase. The united-atom representation of the TraPPE (Transferable Potentials for Phase Equilibria) force field was used for all solutes and squalane. The Gibbs free energies of transfer and Kovats retention indices of the solutes were calculated directly from the partition constants (which were averaged over several independent simulations). While the calculated Kovats indices of benzene and toluene at T = 403 K are significantly higher than their experimental counterparts, much better agreement is found for the xylene isomers at T = 365 K.

Molecular dynamics simulations of a simple, bead-spring model of semiflexible polyelectrolytes such as DNA are performed. All charges are explicitly treated. Starting from extended, noncondensed conformations, condensed structures form in the simulations with tetravalent or trivalent counterions. No condensates form or are stable for divalent counterions. The mechanism by which condensates form is described. Briefly, condensation occurs because electrostatic interactions dominate entropy, and the favored Coulombic structure is a charge ordered state. Condensation is a generic phenomena and occurs for a variety of polyelectrolyte parameters. Toroids and rods are the condensate structures. Toroids form preferentially when the molecular stiffness is sufficiently strong.

Abstract not provided.

A z-pinch radiation source has been developed that generates 60 {+-} 20 KJ of x-rays with a peak power of 13 {+-} 4 TW through a 4-mm diameter axial aperture on the Z facility. The source has heated NIF (National Ignition Facility)-scale (6-mm diameter by 7-mm high) hohlraums to 122 {+-} 6 eV and reduced-scale (4-mm diameter by 4-mm high) hohlraums to 155 {+-} 8 eV -- providing environments suitable for indirect-drive ICF (Inertial Confinement Fusion) studies. Eulerian-RMHC (radiation-hydrodynamics code) simulations that take into account the development of the Rayleigh-Taylor instability in the r-z plane provide integrated calculations of the implosion, x-ray generation, and hohlraum heating, as well as estimates of wall motion and plasma fill within the hohlraums. Lagrangian-RMHC simulations suggest that the addition of a 6 mg/cm{sup 3} CH{sub 2} fill in the reduced-scale hohlraum decreases hohlraum inner-wall velocity by {approximately}40% with only a 3--5% decrease in peak temperature, in agreement with measurements.

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The FETI algorithms are numerically scalable iterative domain decomposition methods. These methods are well documented for solving equations arising from the Finite Element discretization of second or fourth order elasticity problems. The one level FETI method equipped with the Dirichlet preconditioned was shown to be numerically scalable for second order elasticity problems while the two level FETI method was designed to be numerically scalable for fourth order elasticity problems. The second level coarse grid is an enriched version of the original one level FETI method with coarse grid. The coarse problem is enriched by enforcing transverse displacements to be continuous at the corner points. This coarse problem grows linearly with the number of subdomains. Current implementations use a direct solution method to solve this coarse problem. However, the current implementation gives rise to a full matrix system. This full matrix can lead to increased storage requirements especially if working within a distributed memory environment. Also, the factorization and subsequent forward/backward substitutions of the second level coarse problem becomes the dominant factor in solving the global problem as the number of subdomains becomes large (N{sub s} > 1,000). The authors introduce an alternative formulation of the two level coarse problem that leads to a sparse system better suited for a direct method. Then they show extensions to the alternate formulation that allow optional admissible constraints to be added to improve convergence. Lastly, they report on the numerical performance, parallel efficiency, memory requirements, and overall CPU time as compared to the classical two level FETI on some large scale fourth order elasticity problems.

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A mechanical isolator has been developed for a piezoresistive accelerometer. The purpose of the isolator is to mitigate high frequency shocks before they reach the accelerometer because the high frequency shocks may cause the accelerometer to resonate. Since the accelerometer is undamped, it often breaks when it resonates. The mechanical isolator was developed in response to impact test requirements for a variety of structures at Sandia National Laboratories (SNL). An Extended Technical Assistance Program (ETAP) with the accelerometer manufacturer has resulted in a commercial mechanically isolated accelerometer that is available to the general public, the ENDEVCO 7270AM6*, for three shock acceleration ranges of 6,000 g, 20,000 g, and 60,000 g. The in-axis response shown in this report has acceptable frequency domain performance from DC to 10 kHz and 10(XO)over a temperature range of {minus}65 F to +185 F. Comparisons with other isolated accelerometers show that the ENDEVCO 7270AM6 has ten times the bandwidth of any other commercial isolator. ENDEVCO 7270AM6 cross-axis response is shown in this report.

Abstract not provided.

The main objective of this project was to develop reliable, low-cost techniques for joining silicon nitride (Si{sub 3}N{sub 4}) to itself and to metals. For Si{sub 3}N{sub 4} to be widely used in advanced turbomachinery applications, joining techniques must be developed that are reliable, cost-effective, and manufacturable. This project addressed those needs by developing and testing two Si{sub 3}N{sub 4} joining systems; oxynitride glass joining materials and high temperature braze alloys. Extensive measurements were also made of the mechanical properties and oxidation resistance of the braze materials. Finite element models were used to predict the magnitudes and positions of the stresses in the ceramic regions of ceramic-to-metal joints sleeve and butt joints, similar to the geometries used for stator assemblies.

Preliminary shielding calculations were performed for a prototype National Spent Nuclear Fuel Program (NSNFP) transport cask. This analysis is intended for use in the selection of cask shield material type and preliminary estimate of shielding thickness. The radiation source term was modeled as cobalt-60 with radiation exposure strength of 100,000 R/hr. Cobalt-60 was chosen as a surrogate source because it simultaneous emits two high-energy gammas, 1.17 MeV and 1.33 MeV. This gamma spectrum is considered to be large enough that it will upper bound the spectra of all the various spent nuclear fuels types currently expected to be shipped within the prototype cask. Point-kernel shielding calculations were performed for a wide range of shielding thickness of lead and depleted uranium material. The computational results were compared to three shielding limits: 200 mrem/hr dose rate limit at the cask surface, 50 mR/hr exposure rate limit at one meter from the cask surface, and 10 mrem/hr limit dose rate at two meters from the cask surface. The results obtained in this study indicated that a shielding thickness of 13 cm is required for depleted uranium and 21 cm for lead in order to satisfy all three shielding requirements without taking credit for stainless steel liners. The system analysis also indicated that required shielding thicknesses are strongly dependent upon the gamma energy spectrum from the radiation source term. This later finding means that shielding material thickness, and hence cask weight, can be significantly reduced if the radiation source term can be shown to have a softer, lower energy, gamma energy spectrum than that due to cobalt-60.

The effects of chemical aging on the behavior of carbon black filled rubber were investigated by two types of tests, aging under no strain and aging under a constant strain. A slight modification of the damage-based theory of Segalman, used previously on unaged samples, was found to be consistent with the experimental data.

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The U. S. Department of Energy Strategic Petroleum Reserve currently has approximately 500 million barrels of crude oil stored in 62 caverns solution-mined in salt domes along the Gulf Coast of Louisiana and Texas. One of the challenges of operating these caverns is ensuring that none of the fluids in the caverns are leaking into the environment. The current approach is to test the mechanical integrity of all the wells entering each cavern approximately once every five years. An alternative approach to detecting cavern leaks is to monitor the cavern pressure, since leaking fluid would act to reduce cavern pressure. Leak detection by pressure monitoring is complicated by other factors that influence cavern pressure, the most important of which are thermal expansion and contraction of the fluids in the cavern as they come into thermal equilibrium with the host salt, and cavern volume reduction due to salt creep. Cavern pressure is also influenced by cavern enlargement resulting from salt dissolution following introduction of raw water or unsaturated brine into the cavern. However, this effect only lasts for a month or two following a fluid injection. In order to implement a cavern pressure monitoring program, a software program called CaveMan has been developed. It includes thermal, creep and salt dissolution models and is able to predict the cavern pressurization rate based on the operational history of the cavern. Many of the numerous thermal and mechanical parameters in the model have been optimized to produce the best match between the historical data and the model predictions. Future measurements of cavern pressure are compared to the model predictions, and significant differences in cavern pressure set program flags that notify cavern operators of a potential problem. Measured cavern pressures that are significantly less than those predicted by the model may indicate the existence of a leak.

Abstract not provided.

The spatial and temporal origin of a seismic energy source are estimated with a first grid search technique. This approach has greater likelihood of finding the global rninirnum of the arrival time misiit function compared with conventional linearized iterative methods. Assumption of a homogeneous and isotropic seismic velocity model allows for extremely rapid computation of predicted arrival times, but probably limits application of the method to certain geologic environments and/or recording geometries. Contour plots of the arrival time misfit function in the vicinity of the global minimum are extremely useful for (i) quantizing the uncertainty of an estimated hypocenter solution and (ii) analyzing the resolving power of a given recording configuration. In particular, simultaneous inversion of both P-wave and S-wave arrival times appears to yield a superior solution in the sense of being more precisely localized in space and time. Future research with this algorithm may involve (i) investigating the utility of nonuniform residual weighting schemes, (ii) incorporating linear and/or layered velocity models into the calculation of predicted arrival times, and (iii) applying it toward rational design of microseismic monitoring networks.

We present mathematical proofs for two useful properties of the clusters generated by the visual empirical region of influence (VERI) shape. The first proof shows that, for any d-dimensional vector set with more than one distinct vector, that there exists a bounded spherical volume about each vector v which contains all of the vectors that can VERI cluster with v, and that the radius of this d-dimensional volume scales linearly with the nearest neighbor distance to v. We then prove, using only each vector's nearest neighbor as an inhibitor, that there is a single upper bound on the number of VERI clusterings for each vector in any d-dimensional vector set, provided that there are no duplicate vectors. These proofs guarantee significant improvement in VERI algorithm runtimes over the brute force O(N{sup 3}) implementation required for general d-dimensional region of influence implementations and indicate a method for improving approximate O(NlogN) VERI implementations. We also present a related region of influence shape called the VERI bow tie that has been recently used in certain swam intelligence algorithms. We prove that the VERI bow tie produces connected graphs for arbitrary d-dimensional data sets (if the bow tie boundary line is not included in the region of influence). We then prove that the VERI bow tie also produces a bounded number of clusterings for each vector in any d-dimensional vector set, provided that there are no duplicate vectors (and the bow tie boundary line is included in the region of influence).

Abstract not provided.

Multivariate calibration techniques have been used in a wide variety of spectroscopic situations. In many of these situations, spectral variation can be partitioned into separate classes. For example, suppose that multiple spectra are obtained from each of a number of different objects wherein the level of the analyze of interest varies within each object over time. In such situations, the total spectral variation observed across all measurements has two distinct general sources of variation: intraobject and interobject. One might want to develop a global multivariate calibration model that predicts the analyze of interest accurately both within and across objects, including new objects not involved in developing the calibration model. However, this goal might be hard to realize if the interobject spectral variation is complex and difficult to model. If the intraobject spectral variation is consistent across objects, an effective alternative approach might be to develop a generic intraobject model that can be adapted to each object separately. This paper contains recommendations for experimental protocols and data analysis in such situations. The approach is illustrated with an example involving the noninvasive measurement of glucose using near-infrared reflectance spectroscopy. Extensions to calibration maintenance and calibration transfer are discussed.

Careful characterization of laser beams used in materials processing such as welding and drilling is necessary to obtain robust, reproducible processes and products. Recently, equipment and techniques have become available which make it possible to rapidly and conveniently characterize the size, shape, mode structure, beam quality (Mz), and intensity of a laser beam (incident power/unit area) as a function of distance along the beam path. This facilitates obtaining a desired focused spot size and also locating its position. However, for a given position along the beam axis, these devices typically measure where the beam intensity level has been reduced to I/ez of maximum intensity at that position to determine the beam size. While giving an intuitive indication of the beam shape since the maximum intensity of the beam varies greatly, the contour so determined is not an iso-contour of any parameter related to the beam intensity or power. In this work we shall discuss an alternative beam shape formulation where the same measured information is plotted as contour intervals of intensity.

Abstract not provided.

The authors study multi-photon-assisted transmission of electrons through single-step, single-barrier and double-barrier potential-energy structures as a function of the photon energy and the temperature. Sharp resonances in the spectra of the tunneling current through double-barrier structures are relevant to infra-red detectors.

The diffusion, uptake, and release of H in p-type GaN are modeled employing state energies from density-function theory and compared with measurements of deuterium uptake and release using nuclear-reaction analysis. Good semiquantitative agreement is found when account is taken of a surface permeation barrier.

Abstract not provided.

The switching and memory retention time has been measured in 50 {micro}m gatelength pseudo-non-volatile memory MOSFETs containing, protonated 40 nm gate oxides. Times of the order of 3.3 seconds are observed for fields of 3 MV cm{sup {minus}1}. The retention time with protons placed either at the gate oxide/substrate or gate oxide/gate electrode interfaces is found to better than 96% after 5,000 seconds. Measurement of the time dependence of the source-drain current during switching provides clear evidence for the presence of dispersive proton transport through the gate oxide.

Abstract not provided.

Ethane oxidation reactions were studied over pure and Ca-, Mg-, Sr-, La-, Nd-, and Y-substituted BaCeO3 perovskites under oxygen limited conditions. Several of the materials, notably the Ca- and Y-substituted materials, show activity for complete oxidation of the hydrocarbon to CO2 at temperatures below 650 °C. At higher temperatures, the oxidative dehydrogenation (ODH) to ethylene becomes significant. Conversions and ethylene yields are enhanced by the perovskites above the thermal reaction in our system in some cases. The perovskite structure is not retained in the high temperature reaction environment. Rather, a mixture of carbonates and oxides is formed. Loss of the perovskite structure correlates with a loss of activity and selectivity to ethylene.

Abstract not provided.

The authors are developing a laser radar to meet the needs of NASA for a 5-lb, 150 in{sup 3} image sensor with a pixel range accuracy of 0.1-inch. NASA applications include structural dynamics measurements, navigation guidance in rendezvous and proximity operations, and space vehicle inspection. The sensor is based on the scannerless range imager architecture developed at Sandia. This architecture modulates laser floodlight illumination and a focal plane receiver to phase encode the laser time of flight (TOF) for each pixel. They believe this approach has significant advantages over architectures directly measuring TOF including high data rate, reduced detector bandwidth, and conventional FPA detection. A limitation of the phase detection technique is its periodic nature, which provides relative range information over a finite ambiguity interval. To extend the operating interval while maintaining a given range resolution, a LADAR sensor using dual modulation frequencies has been developed. This sensor also extends the relative range information to absolute range by calibrating a gating function on the receiver to the TOF. The modulation frequency values can be scaled to meet the resolution and range interval requirements of different applications. Results from the miniature NASA sensor illustrate the advantages of the dual-frequency operation and the ability to provide the range images of 640 by 480 pixels at 30 frames per second.

Abstract not provided.

Abstract not provided.

A mobile 480-V, 2-MVA UPS System utilizing battery energy storage was installed at S and C Electric Company's Polymer Products Fabrication Building in Chicago, Illinois in May 1999 to provide uninterrupted power to the building for up to 15 seconds in the event of a voltage sag or momentary interruption in the local utility supply. Similar units can be applied at medium voltage through the application of a step-up transformer to provide momentary power disturbance ride through of up to 30 seconds for loads up to 15 MVA at system voltages ranging from 4.16 kV to 34.5 kV. A power quality evaluation of the installation was performed over a six-month period from July 1999 to early January 2000. This paper describes the details and results of this power quality evaluation, which involved two phases. Phase I involved the collection and review of power disturbance data and the effects on process equipment, while Phase II involved power quality monitoring of utility source and building load voltages and currents over a period of six months. Review of power disturbance data and equipment power-disturbance ride-through characteristics during Phase I of the project indicated that the polymer fabrication process in the building is affected by the tripping of motors driving hydraulic pumps for the thermal set molding machines. The tripping of these motors may have resulted in direct production losses in 1998 of approximately $468,000. The monitoring conducted during Phase II of the project showed that the PureWave UPS operated as intended during 12 utility voltage sag events to protect the building's load against momentary power disturbances. In addition, the unit operated successfully during many staged interruptions involving opening of a source-side circuit breaker.

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We have used gas chromatography-mass spectroscopy (GCMS) to study the decomposition of TBA (tert-butylarsine, H2AsC(CH3)3) in storage containers at room temperature. Over a four-week period, as much as 1% of the TBA decomposed to arsine and isobutane in a stainless-steel bottle. Several freeze-thaw purification schemes were tested. Use of a liquid-nitrogen bath left a substantial amount of arsine and isobutane in the bottle, while an ice water bath removed all of the arsine but left residual isobutane. Evacuation of the storage container at room temperature removed both arsine and isobutane to below the GCMS detection limits. However, this approach did lead to significant TBA loss. Storing TBA in a Teflon-lined bottle and in a high-surface-to-volume stainless-steel container did not change the decomposition rate measurably, suggesting that stainless-steel surfaces do not promote TBA decomposition.

Quantitative measurements of the diffusion of adsorbed mixed Ge-Si dimers on the Si(100) surface have been made as a function of temperature using atom-tracking scanning tunneling microscopy. These mixed dimers are distinguishable from pure Si-Si dimers by their characteristic kinetics--a 180-degree rotation between two highly buckled configurations. At temperatures at which the mixed dimers diffuse, atomic-exchange events occur, in which the Ge atom in the adsorbed dimer exchanges with a substrate Si atom. Re-exchange can also occur when the diffusing Si-Si dimer revisits the original site of exchange.

To design more radiation tolerant Integrated Circuits (ICs), it is essential to create and test accurate models of ionizing radiation induced charge collection dynamics within microcircuits. A new technique, Diffusion Time Resolved Ion Beam Induced Charge Collection (DTRIBICC), is proposed to measure the average arrival time of the diffused charge at the junction. Specially designed stripe-like junctions were experimentally studied using a 12 MeV carbon microbeam with a spot size of 1 {micro}m. The relative arrival time of ion-generated charge is measured along with the charge collection using a multiple parameter data acquisition system. The results show the importance of the diffused charge collection by junctions, which is especially significant in accounting for Multiple Bit Upset (MBUs) in digital devices.

Electrode gap is a very important parameter for the safe and successful control of vacuum arc remelting (VAR), a process used extensively throughout the specialty metals industry for the production of nickel base alloys and aerospace titanium alloys. Optimal estimation theory has been applied to the problem of estimating electrode gap and a filter has been developed based on a model of the gap dynamics. Taking into account the uncertainty in the process inputs and noise in the measured process variables, the filter provides corrected estimates of electrode gap that have error variances two-to-three orders of magnitude less than estimates based solely on measurements for the sample times of interest. This is demonstrated through simulations and confined by tests on the VAR furnace at Sandia National Laboratories. Furthermore, the estimates are inherently stable against common process disturbances that affect electrode gap measurement and melting rate. This is not only important for preventing (or minimizing) the formation of solidification defects during VAR of nickel base alloys, but of importance for high current processing of titanium alloys where loss of gap control can lead to a catastrophic, explosive failure of the process.

Abstract not provided.

Abstract not provided.

The authors have shown that the hydroperoxide species in {gamma}-irradiated {sup 13}C-polyethylene can be directly observed by {sup 13}C MAS NMR spectroscopy. The experiment was performed without the need for special sample preparation such as chemical derivatization or dissolution. Annealing experiments were employed to study the thermal decomposition of the hydroperoxide species and to measure an activation energy of 98 kJ/mol. EPR spectroscopy suggests that residual polyenyl and alkylperoxy radicals are predominantly trapped in interracial or crystalline regions, while the peroxy radicals observed after UV-photolysis of hydroperoxides are in amorphous regions.

A solution mining facility at the Eddy Potash Mine, Eddy County, New Mexico has been proposed that will utilize salinity gradient solar pond (SGSP) technology to supply industrial process thermal energy. The process will include underground dissolution of potassium chloride (KCl) from pillars and other reserves remaining after completion of primary room and pillar mining using recirculating solutions heated in the SGSP. Production of KCl will involve cold crystallization followed by a cooling pond stage, with the spent brine being recirculated in a closed loop back to the SGSP for reheating. This research uses SGSP as a renewable, clean energy source to optimize the entire mining process, minimize environmental wastes, provide a safe, more economical extraction process and reduce the need for conventional processing by crushing, grinding and flotation. The applications of SGSP technology will not only save energy in the extraction and beneficiation processes, but also will produce excess energy available for power generation, desalination, and auxiliary structure heating.

A major cause of failures in heat exchangers and steam generators in nuclear power plants is degradation of the tubes within them. The tube failure is often caused by the development of cracks that begin on the outer surface of the tube and propagate both inwards and laterally. A new technique will be described for detection of defects using a continuous-wave radar device within metal tubing. The technique is 100% volumetric, and may find smaller defects, find them more rapidly, and find them less expensively than present methods. Because this project was started only recently, there is no demonstrated performance to report so far. However, the basic engineering concepts will be presented together with a description of the milestone tasks and dates.

A hybrid of a microfabricated planar preconcentrator and a four element chemiresistor array chip has been fabricated and the performance as a chemical sensor system has been demonstrated. The close proximity of the chemiresistor sensor to the preconcentrator absorbent layer allows for fast transfer of the preconcentrated molecules during the heating and resorption step. The hybrid can be used in a conventional flow sampling system for detection of low concentrations of analyte molecules or in a pumpless/valveless mode with a grooved lid to confine the desorption plume from the preconcentrator during heating.

Recently, an EBSD system was developed that uses a 1024 x 1024 CCD camera coupled to a thin phosphor. This camera has been shown to produce excellent EBSD patterns. In this system, crystallographic information is determined from the EBSD pattern and coupled with the elemental information from energy or wavelength dispersive x-ray spectrometry. Identification of the crystalline phase of a sample is then made through a link to a commercial diffraction database. To date, this system has been applied almost exclusively to conventional, bulk samples that have been polished to a flat surface. In this investigation, the authors report on the application of the EBSD system to the phase identification analysis (PIA) of individual micrometer and submicrometer particles rather than flat surfaces.