Publications

We show that Sorensen's [35] implicitly restarted Arnoldi method (including its block extension) is simultaneous iteration with an implicit projection step to accelerate convergence to the invariant subspace of interest. By using the geometric convergence theory for simultaneous iteration due to Watkins and Elsner [43], we prove that an implicitly restarted Arnoldi method can achieve a super-linear rate of convergence to the dominant invariant subspace of a matrix. Moreover, we show how an IRAM computes a nested sequence of approximations for the partial Schur decomposition associated with the dominant invariant subspace of a matrix.

Screening of sites for the potential application and reliance upon monitored natural attenuation (MNA) can be done using MNAtoolbox, a web-based tool for estimating extent of biodegradation, chemical transformation, and dilution. MNAtoolbox uses site-specific input data, where available (default parameters are taken from the literature), to roughly quantify the nature and extent of attenuation at a particular site. Use of MNAtoolbox provides 3 important elements of site evaluation: (1) Identifies likely attenuation pathways, (2) Clearly identifies sites where MNA is inappropriate, and (3) Evaluates data requirements for subsequent reliance on MNA as a sole or partial corrective action.

Sandia National Laboratories (SNL) and the Russian Federal Nuclear Center-All Russian Research Institute for Experimental Physics (VNIIEF)(also know as Arzamas-16) are collaborating on ways to assure the highest standards on safety, security, and international accountability of fissile material. This includes systems used to reduce the need for human access to fissile material, reduce radiation exposure, and provide prompt safety-related information, and provide continuous international accountability information while reducing the need for intrusive, on-site visits. This paper will report on the ongoing SNL/VNIIEF efforts to develop technologies and monitoring systems to meet these goals. Specific topics covered will include: the Smart Bolt tag/seal development, development and testing of electronic sensor platforms (U.S. T-1 ESP and VNIIEF Radio Tag) for monitoring and transportation applications, the ''Magazine-to-Magazine'' remote monitoring system field test, and the ''Facility-to-Facility'' storage monitoring system field trial.

Abstract not provided.

A new forcefield model was developed for the computer simulation of phosphate materials that have many important applications in the electronics and biomedical industries. The model provides a fundamental basis for the evaluation of phosphate glass structure and thermodynamics. Molecular dynamics simulations of a series of lithium phosphate glass compositions were performed using the forcefield model. A high concentration of three-membered rings (P{sub 3}O{sub 3}) occurs in the glass of intermediate composition (0.2 Li{sub 2}O {center_dot} 0.8P{sub 2}O{sub 5}) that corresponds to the minimum in the glass transition temperature curve for the compositional series. Molecular orbital calculations of various phosphate ring clusters indicate an increasing stabilization of the phosphate ring structure going from two- to four-membered rings.

A new approach is being pursued to study corrosion in Cu alloy systems by using combinatorial analysis combined with microscopic experimentation (the Combinatorial Microlab) to determine mechanisms for copper corrosion in air. Corrosion studies are inherently difficult because of complex interactions between materials and environment, forming a multidimensional phase space of corrosion variables. The Combinatorial Microlab was specifically developed to address the mechanism of Cu sulfidation, which is an important reliability issue for electronic components. This approach differs from convention by focusing on microscopic length scales, the relevant scale for corrosion. During accelerated aging, copper is exposed to a variety of corrosive environments containing sulfidizing species that cause corrosion. A matrix experiment was done to determine independent and synergistic effects of initial Cu oxide thickness and point defect density. The CuO{sub x} was controlled by oxidizing Cu in an electron cyclotron resonance (ECR) O{sub 2} plasma, and the point defect density was modified by Cu ion irradiation. The matrix was exposed to 600 ppb H{sub 2}S in 65% relative humidity air atmosphere. This combination revealed the importance of oxide quality in passivating Cu and prevention of the sulfidizing reaction. A native oxide and a defect-laden ECR oxide both react at 20 C to form a thick Cu{sub 2}S layer after exposure to H{sub 2}S, while different thicknesses of as-grown ECR oxide stop the formation of Cu{sub 2}S. The species present in the ECR oxide will be compared to that of an air oxide, and the sulfide layer growth rate will be presented.

We describe highly anisotropic reactive ion beam etching of nanophotonic structures in AlGaAs based on the ion beam divergence angle and chamber pressure. The divergence angle is shown to influence the shape of the upper portion of the etch while the chamber pressure controls the shape of the lower portion. This predictable region of parameter space resulted in highly anisotropic nanostructures. Deeply etched distributed Bragg reflectors are etched to an aspect ratio of 8:1 with 100 nm trench widths. The profile of the grating etch is straight with smooth sidewalls, flat bottoms, and squared corners. Two-dimensional photonic crystal post arrays are fabricated with smooth and vertical sidewalls, with structures as small as 180 nm in diameter and 2.0 {micro}m in height.

RF and mm-wave photonic devices and circuits have been developed at Sandia National Laboratories for applications ranging from RF optical data links to optical generation of mm-wave frequencies. This talk will explore recent high-speed photonics technology developments at Sandia including: (1) A monolithic optical integrated circuit for all-optical generation of mm-waves. Using integrated mode-locked diode lasers, amplifiers, and detectors, frequencies between 30 GHz and 90 GHz are generated by a single monolithic (Al,Ga)As optical circuit less than 2mm in its largest dimension. (2) Development of polarization-maintaining, low-insertion-loss, low v-pi, Mach-Zehnder interferometer (MZI) modulators with DC-to-potentially-K-band modulation bandwidth. New low-loss polarization-maintaining waveguide designs using binary alloys have been shown to reduce polarization crosstalk in undoped (Al,Ga)As waveguides, yielding high extinction ratio (>40dB) and low on-chip loss (<6dB) in Mach-Zehnder interferometers. RF drive voltage is reduced through use of 45rnrn-active length devices with modulator sensitivity, v-pi, less than 3V.

Recently, Morel and McGhee described an alternate second-order form of the transport equation called the self adjoint angular flux (SAAF) equation that has the angular flux as its unknown. The SAAF formulation has all the advantages of the traditional even- and odd-parity self-adjoint equations, with the added advantages that it yields the full angular flux when it is numerically solved, it is significantly easier to implement reflective and reflective-like boundary conditions, and in the appropriate form it can be solved in void regions. The SAAF equation has the disadvantage that the angular domain is the full unit sphere and, like the even- and odd- parity form, S{sub n} source iteration cannot be implemented using the standard sweeping algorithm. Also, problems arise in pure scattering media. Morel and McGhee demonstrated the efficacy of the SAAF formulation for neutral particle transport. Here we apply the SAAF formulation to coupled electron-photon transport problems using multigroup cross-sections from the CEPXS code and S{sub n} discretization.

The integration of miniaturized mechanical components has spawned a new technology known as microelectromechanical systems (MEMS). Surface micromachining, defined as the fabrication of micromechanical structures from deposited thin films, is one of the core technological processes underlying MEMS. Surface micromachined structures have a large ratio of surface area to volume which makes them particularly vulnerable to adhesion to the substrate or adjacent structures during release or in use--a problem is called stiction. Since microactuators can have surfaces in normal or sliding contact, function and wear are critical issues for reliable operation of MEMS devices. Surface modifications are needed to reduce adhesion and friction in micromechanical structures. In this paper, we will present a process used to selectively coat MEMS devices with Tungsten using a CVD (Chemical Vapor Deposition) process. We will discuss the effect of wet and vapor phase cleans along with different process variables. Endurance of the W coating is important, especially in applications where wear due to repetitive contacts with the film may occur. Further, tungsten is hard and chemically inert, Tungsten CVD is used in the integrated-circuit industry, which makes this, approach manufacturable.

Microfabrication technology has been applied to the development of a miniature, multi-channel gas phase chemical laboratory that provides fast response, small size, and enhanced versatility and chemical discrimination. Each analysis channel includes a sample concentrator followed by a gas chromatographic separator and a chemically selective surface acoustic wave detector array to achieve high sensitivity and selectivity. The performance of the components, individually and collectively, is described. The design and performance of novel micromachined acoustic wave devices, with the potential for improved chemical sensitivity, are also described.

The authors present prism coupling measurements on Al{sub x}Ga{sub 1{minus}x}As native oxides showing the dependence of refractive index on composition (0.3 {le} x {le} 0.97), oxidation temperature (400 {le} T {le} 500), and carrier gas purity. Index values range from n = 1.490 (x = 0.9, 400) to 1.707 (x = 0.3, 500 C). The oxides are shown to adsorb moisture, increasing their index by up to 0.10 (7%). Native oxides of Al{sub x}Ga{sub 1{minus}x}As (x {le} 0.5) have index values up to 0.27 higher and are less hygroscopic when prepared with a small amount of O{sub 2} in the N{sub 2} + H{sub 2}O process gas. The higher index values are attributed to a greater degree of oxidation of the Ga in the film.

In a quantum grid infrared photodetector (QGIP), the active multiple quantum well material is patterned into a grid structure. The purposes of the grid are on the one hand to create additional lateral electron confinement and on the other to convert part of the incident light into parallel propagation. With these two unique functions, a QGIP allows intersubband transition to occur in all directions. In this work, we focused on improving the effectiveness of a QGIP in redirecting the propagation of light using a blazed structure. The optimization of the grid parameters in terms of the blaze angle and the periodicity was performed by numerical simulation using the modal transmission-line theory and verified by experiment. With a blazed structure, the sensitivity of a QGIP can be improved by a factor of 1.8 compared with a regular QGIP with rectangular profiles.

Using Interracial Force Microscopy (IFM), we investigated the tribological behavior of hexadecanethiol monolayer on Au and films of octadecyltrichlorosilane (ODTS), perfluorodecyltrichlorosilane (PFTS) and dodecane on Si. We observe a strong correlation between hysteresis in a compression cycle (measured via nanoindentation) and friction. Additionally, we suggest that the amount of hysteresis and friction in each film is related to its detailed molecular structure, especially the degree of molecular packing.

The Geothermal Drilling Organization (GDO), founded in 1982 as a joint Department of Energy (DOE)-Industry organization, develops and funds near-term technology development projects for reducing geothermal drilling costs. Sandia National Laboratories administers DOE funds to assist industry critical cost-shared projects and provides development support for each project. GDO assistance to industry is vital in developing products and procedures to lower drilling costs, in part, because the geothermal industry is small and represents a limited market.

Energy (DOE)-industry research and development (R and D) organization, sponsors near-term technology development projects for reducing geothermal drilling and well maintenance costs. Sandia National Laboratories (Albuquerque, NM) administers DOE funds for GDO cost-shared projects and provides technical support. The GDO serves a very important function in fostering geothermal development. It encourages commercialization of emerging, cost-reducing drilling technologies, while fostering a spirit of cooperation among various segments of the geothermal industry. For Sandia, the GDO also serves as a means of identifying the geothermal industry's drilling fuel/or well maintenance problems, and provides an important forum for technology transfer. Successfully completed GDO projects include: the development of a high-temperature borehole televiewer, high-temperature rotating head rubbers, a retrievable whipstock, and a high-temperature/high-pressure valve-changing tool. Ongoing GDO projects include technology for stemming lost circulation; foam cement integrity log interpretation, insulated drill pipe, percussive mud hammers for geothermal drilling, a high-temperature/ high-pressure valve changing tool assembly (adding a milling capability), deformed casing remediation, high- temperature steering tools, diagnostic instrumentation for casing in geothermal wells, and elastomeric casing protectors.

The increased demand for portable electronics has lead to the need for higher performance and efficiency. Devices operating at less than 50 {micro}W of power are defined as ultra-low-power (ULP) devices. New progress has been achieved on InP/InGaAs HBT and InAIAs/InGaAs HBT optimized for ULP applications. f{sub T} values of 2.2 GHz, and f{sub MAX} values of 20 GHz have been obtained for HBTs operating at less than 40 {micro}W. Current gain is greater than 45 with the device operating at less than 20 {micro}A on a 2.5 x 5 {micro}m{sup 2} device. These devices have been significantly improved over the previously reported MOCVD grown InP/InGaAs ULP HBT which has f{sub MAX} of 10 GHz operating in the ultra-low-power level. The improvements have been attributed to the reduction of base dopant diffusion associated with Zn doping.

MTI is a comprehensive research and development project that includes up-front modeling and analysis, satellite system design, fabrication, assembly and testing, on-orbit operations, and experimentation and data analysis. The satellite is designed to collect radiometrically calibrated, medium resolution imagery in 15 spectral bands ranging from 0.45 to 10.70 pm. The payload portion of the satellite includes the imaging system components, associated electronics boxes, and payload support structure. The imaging system includes a three-mirror anastigmatic off-axis telescope, a single cryogenically cooled focal plane assembly, a mechanical cooler, and an onboard calibration system. Payload electronic subsystems include image digitizers, real-time image compressors, a solid state recorder, calibration source drivers, and cooler temperature and vibration controllers. The payload support structure mechanically integrates all payload components and provides a simple four point interface to the spacecraft bus. All payload components have been fabricated and tested, and integrated.

This project has comprised design, analysis, laboratory testing, and field testing of insulated drill pipe (IDP). This paper will briefly describe the earlier work, but will focus on results from the recently-completed field test in a geothermal well. Field test results are consistent with earlier analyses and laboratory tests, all of which support the conclusion that insulated drill pipe can have a very significant effect on circulating fluid temperatures. This will enable the use of downhole motors and steering tools in hot wells, and will reduce corrosion, deterioration of drilling fluids, and heat-induced failures in other downhole components.

GaN Schottky diodes were exposed to N₂ or H₂ Inductively Coupled Plasmas prior to deposition of the rectifying contact. Subsequent annealing, wet photochemical etching or (NH₄)₂S surface passivation treatments were examined for their effect on diode current- voltage characteristics. We found that either annealing at 750 °C under N₂, or removal of ~500-600 Å of the surface essentially restored the initial I-V characteristics. There was no measurable improvement in the plasma-exposed diode behavior with (NH₄)₂S treatments.

We analyze the transverse profiles of oxide-confined vertical cavity laser diodes as a function of aperture size. For small apertures we demonstrate that thermal lensing can be the dominant effect in determining the transverse resonator properties. We also analyze pattern formation in lasers with large apertures where we observe the appearance of tilted waves.

The goal of the Russian Navy Fuels Program is to incorporate nuclear fuel that is in the custody of the Russian Navy into a materials protection, control and accounting program. In addition to applying MPC and A upgrades to existing facilities, a program is underway to train site personnel in MPC and A activities. The goal is to assure that the upgraded facilities are managed, operated and maintained in an effective, sustainable manner. Training includes both the conceptual and necessary operational aspects of the systems and equipment. The project began with a Needs Assessment to identify priorities and objectives of required training. This led to the creation of a series of classes developed by Kurchatov Institute. One course was developed to allow attendees to get a general understanding of goals and objectives of nuclear MPC and A systems in the context of the Russian Navy. A follow-on course provided the detailed skills necessary for the performance of specialized duties. Parallel sessions with hands-on exercises provided the specific training needed for different personnel requirements. The courses were presented at KI facilities in Moscow. This paper reviews the work to date and future plans for this program.

Various efforts to map the structure of science have been undertaken over the years. Using a new tool, VxInsight{trademark}, we have mapped and displayed 3000 journals in the physical sciences. This map is navigable and interactively reveals the structure of science at many different levels. Science mapping studies are typically focused at either the macro-or micro-level. At a macro-level such studies seek to determine the basic structural units of science and their interrelationships. The majority of studies are performed at the discipline or specialty level, and seek to inform science policy and technical decision makers. Studies at both levels probe the dynamic nature of science, and the implications of the changes. A variety of databases and methods have been used for these studies. Primary among databases are the citation indices (SCI and SSCI) from the Institute for Scientific Information, which have gained widespread acceptance for bibliometric studies. Maps are most often based on computed similarities between journal articles (co-citation), keywords or topics (co-occurrence or co-classification), or journals (journal-journal citation counts). Once the similarity matrix is defined, algorithms are used to cluster the data.

Thermally-Induced Voltage Alteration (TIVA) and Seebeck Effect Imaging (SEI) are newly developed techniques for localizing shorted and open conductors from the front and backside of an IC. Recent improvements have greatly increased the sensitivity of the TIVA/SEI system, reduced the acquisition times by more than 20X, and localized previously unobserved defects. The system improvements, non-linear response of IC defects to heating, modeling of laser heating and examples using the improved system are presented.

Performance tests of a scaled passive autocatalytic recombine (PAR) were performed in the Surtsey test vessel at Sandia National Laboratories. Measured hydrogen depletion rate data were obtained and compared with previous work. Depletion rate is most likely proportional to PAR scale. PAR performance in steamy environments (with and without hydrophobic coating) was investigated. The tests determined that the PAR startup delay times decrease with increasing hydrogen concentrations in steamy environments. Tests with placement of the PAR near a wall (as opposed to a center location) yielded reduced depletion rates. Tests at low oxygen concentrations also showed a reduced recombination rate. The PAR repeatedly ignited hydrogen at about 6 mol% concentration with a catalyst temperature near 940 K. Velocity data at the PAR exhaust were used to calculate the volumetric flow rate through the PAR as a function of the vessel hydrogen concentration.