Publications

A numerical analysis of the deposition of gallium from trimethylgallium (TMG) and arsine in a horizontal CVD reactor with tilted susceptor and a three inch diameter rotating substrate is performed. The three-dimensional model includes complete coupling between fluid mechanics, heat transfer, and species transport, and is solved using an unstructured finite element discretization on a massively parallel computer. The effects of three operating parameters (the disk rotation rate, inlet TMG fraction, and inlet velocity) and two design parameters (the tilt angle of the reactor base and the reactor width) on the growth rate and uniformity are presented. The nonlinear dependence of the growth rate uniformity on the key operating parameters is discussed in detail. Efficient and robust algorithms for massively parallel reacting flow simulations, as incorporated into our analysis code MPSalsa, make detailed analysis of this complicated system feasible.

Heavy-metal contaminated soils are a common problem at Department of Energy (DOE)-operated sites and privately owned facilities throughout the nation. One emerging technology which can remove heavy metals from soil in situ is electrokinetics. To conduct electrokinetic (EK) remediation, electrodes are implanted into the ground, and a direct current is imposed between the electrodes. Metal ions dissolved in the soil pore water migrate towards an electrode where they can be removed. The electrokinetic program at Sandia National Laboratories (SNL) has been focusing on electrokinetic remediation for unsaturated soils. A patent was awarded for an electrokinetic electrode system designed at SNL for applications to unsaturated soils. Current research described in this report details an electrokinetic remediation field demonstration of a chromium plume that resides in unsaturated soil beneath the SNL Chemical Waste Landfill (CWL). This report describes the processes, site investigation, operation and monitoring equipment, testing procedures, and extraction results of the electrokinetic demonstration. This demonstration successfully removed chromium contamination in the form of chromium(VI) from unsaturated soil at the field scale. After 2700 hours of operation, 600 grams of Cr(VI) was extracted from the soil beneath the SNL CWL in a series of thirteen tests. The contaminant was removed from soil which has moisture contents ranging from 2 to 12 weight percent. This demonstration was the first EK field trial to successfully remove contaminant ions from and soil at the field scale. Although the new patented electrode system was successful in removing an anionic contaminant (i.e., chromate) from unsaturated sandy soil, the electrode system was a prototype and has not been specifically engineered for commercialization. A redesign of the electrode system as indicated by the results of this research is suggested for future EK field trials.

Recent progress in the development of dry and wet etching techniques, implant doping and isolation, thermal processing, gate insulator technology and high reliability contacts is reviewed. Etch selectivities up to 10 for InN over AlN are possible in Inductively Coupled Plasmas using a Cl2/Ar chemistry, but in general selectivities for each binary nitride relative to each other are low ({lt} OR = 2) BECAUSE OF THE HIGH ION ENERGIES NEEDED TO INITIATE ETCHING. IMPROVED N-TYPE OHMIC CONTACT RESISTANCES ARE OBTAINED BY SELECTIVE AREA SI+ IMPLANTATION FOLLOWED BY VERY HIGH TEMPERATURE ({gt}1300 deg C) anneals in which the thermal budget is minimized and AlN encapsulation prevents GaN surface decomposition. Implant isolation is effective in GaN, AlGaN and AlInN, but marginal in InGaN. Candidate gate insulators for GaN include AlN, AlON and Ga(Gd)O(x), but interface state densities are still to high to realize state-of-the-art MIS devices.

A chemical solution powder synthesis technique has been developed that produces fine uniform powders of lead magnesium niobate (PMN) with 60 to 80 nm crystallite size. The synthesis technique was based on the dissolution of lead acetate and alkoxide precursors in acetic acid followed by precipitation with oxalic acid/propanol solutions. Lead magnesium niobate ceramics fabricated from these chemically derived powders had smaller, more uniform grain size and higher dielectric constants than ceramics fabricated from mixed oxide powders that were processed under similar thermal conditions.

This paper describes the use of Formula 456, an aliphatic amine cured epoxy for impregnating coils and high voltage transformers. Sandia has evaluated a number of MDA-free epoxy encapsulants which relied on either anhydride or other aromatic amine curing agents. The use of aliphatic amine curing agents was more recently evaluated and has resulted in the definition of Formula 456 resin. Methylene dianiline (MDA) has been used for more than 20 years as the curing agent for various epoxy formulations throughout the Department of Energy and much of industry. Sandia National Laboratories began the process of replacing MDA with other formulations because of regulations imposed by OSHA on the use of MDA. OSHA has regulated MDA because it is a suspect carcinogen. Typically the elimination of OSHA-regulated materials provides a rare opportunity to qualify new formulations in a range of demanding applications. It was important to take full advantage of that opportunity, although the associated materials qualification effort was costly. Small high voltage transformers are one of those demanding applications. The successful implementation of the new formulation for high reliability transformers will be described. The test results that demonstrate the parts are qualified for use in DOE weapon systems will be presented.

An advanced manufacturing technology which provides multi-layered polysilicon surface micromachining technology for advanced weapon systems is presented. Specifically, the addition of another design layer to a 4 levels process to create a 5 levels process allows consideration of fundamentally new architecture in designs for weapon advanced surety components.

This contribution provides Sandia`s comments to the ATM Forum Security 1.0 straw ballot specification, STR-SECURITY-01.01. These comments are organized as follows--major comments indicate technical defects in the specification which, if not resolved, may preclude Sandia`s vote in favor of the specification. Minor comments are technical comments which, if left unresolved, will not preclude Sandia`s favorable vote. Finally, editorial comments are also provided.

With the completion of the documentation of the results from the Grand Gulf Nuclear Power Plant Low Power and Shutdown (LP and S) Project funded by the US Nuclear Regulatory Commission, detailed probabilistic risk assessment (PRA) information from a boiling water reactor for a specific time period in LP and S conditions became available for examination. This paper summarizes why LP and S conditions should be examined and how the particular operational state was selected. It also summarizes observations and insights extracted from an examination of: (1) results in the LP and S documentation, (2) the specific models and assumptions used in the LP and S analyses, (3) selected results from the full power analysis, (4) the experience of the analysts who performed the original LP and S study, and (5) results from sensitivity calculations to help determine the impact that model assumptions and data values had on the results from the original LP and S analysis. Observations and insights on core damage frequency and aggregate risk (early fatalities and total latent cancer fatalities) associated with operations during plant operational state 5 (i.e., basically cold shutdown as defined by Technical Specifications) during a refueling outage for traditional internal events are provided. In addition, a discussion of similarities and differences between full power accidents and accidents during LP and S conditions is provided. As part of this discussion, core damage frequency and risks results are presented on a per hour and per calendar year basis, allowing alternative perspectives on both the core damage frequency and risk associated with these two operational states.

This contribution extends the Outside Nodal Hierarchy List (ONHL) procedures described in ATM Forum Contributions 97-0766 and 97-0933. These extensions allow multiple mobile networks to form either an ad hoc network or an extension of a fixed PNNI infrastructure. A previous contribution (97-1073) covered the simplest case where the top-most Logical Group Nodes (LGNs), in those mobile networks, all resided at the same level in a PNNI hierarchy. This contribution covers the more general case wherein those top-most LGNs may reside at different PNNI hierarchy levels. Both of the SNL contributions consider flat ad hoc network architectures in the sense that each mobile network always participates in the PNNI hierarchy at the pre-configured level of its top-most LGN.

The authors describe below the electrochemical performance characteristics, including charge-discharge characteristics at different rates, of cylindrical 18650 (18 mm diameter, 65 mm high) and prismatic lithium ion cells at ambient and sub-ambient temperatures. Ragone plots of power and energy data for these cells are compared and indicate that at room temperature the prismatic lithium ion cells (approx. 500 mAh) exhibit higher specific power and power density than the 18650 cells (approx. 1,100 mAhr). The cell impedance was measured between 35 C and {minus}40 C at three open circuit voltages: 4.1 v (fully charged), 3.6 v (partially discharged), and 3.1 v (almost completely discharged). Over the temperature range from 35 C to {minus}20 C, the cell impedance is nearly constant for both cell types and increases by 2 to 3 times at {minus}40 C. The impedance doesn`t vary significantly with open circuit voltage (OCV). These cells show very little voltage drop at room temperature for current pulses up to 1 A. The charge-discharge characteristics of the cells are being studied at different rates as a function of temperature to compute the power, energy, and capacity outputs. This will not only broaden the database on lithium ion cells, but will also allow us to evaluate the suitability of the cells as power sources for low temperature applications. Other electrochemical characteristics of these cells including pulse response are being evaluated. Impedance measurements of the cells under load are planned to make meaningful correlations between the voltage drop and the current pulse amplitude.

This paper discusses the design, fabrication and testing of a surface micromachined Counter-Meshing Gears (CMG) discrimination device which functions as a mechanically coded lock, A 24 bit code is input to unlock the device. Once unlocked, the device provides a path for an energy or information signal to pass through the device. The device is designed to immediately lock up if any portion of the 24 bit code is incorrect. The motivation for the development of this device is based on occurrences referred to as High Consequence Events, A High Consequence Event is an event where an inadvertent operation of a system could result in the catastrophic loss of life, property, or damage to the environment.

High energy density, high current, pulse discharge capacitors have been utilized at Sandia National Laboratories for many years as the energy storage medium in firing sets, trigger circuits and as laser power sources. To achieve the required high reliability under often extreme environmental conditions, these capacitors have typically utilized Mylar or mica-paper dielectrics for voltage applications in the 2--6 kV range with peak currents of a few kA having rise times around 100 nsec. or less. The increased demands for higher energy density (much lower volume) and lower cost capacitors as energy storage devices have accelerated Sandia`s research and development activities in the potential use of ceramic capacitors for these pulse discharge applications. The major weakness in utilizing this type of capacitor was its unknown reliability, in this particular usage mode, compared to discrete film-foil capacitors. Continued improvements in fabrication processes, materials and designs have demonstrated that satisfactory pulse discharge lifetimes can be achieved. Sandia`s progress in this field since C.A. Hall`s original studies will be presented showing that some ceramic capacitors from several commercial vendors have demonstrated pulse discharge lifetimes greater than 100,000 cycles. Derating of the manufacture`s rated voltage as a function of required discharge lifetime and operating voltage and changes in capacitance as a function of voltage stress and temperature are also presented for several ceramic capacitors with different dielectrics.

There is a growing recognition internationally of the need to demonstrate comprehensiveness in order to build confidence in performance assessments (PAs) for radioactive waste disposal projects. This has resulted in a number of methodologies being developed to formalize the process of defining and documenting the decision basis that underlies a PA. Such methodologies include process influence diagrams and the rock engineering system (RES) matrix. However, these methodologies focus mainly on the conceptualization of the disposal system and do not provide a ready framework to document the decisions behind the model development and parameterization of the PA system. The Performance Assessment Support System (PASS) is a flexible electronic tool designed to increase the transparency and traceability of decision making in the entire PA process. An application of PASS has been developed for the Waste Isolation Pilot Plant (WIPP) where it forms an important component of Desk Top PA, a PC-based PA computational environment under development at Sandia National Laboratories to document, plan, and support management decisions and to assess performance for the WIPP recertification process. This desk-top PA environment is also aimed at providing scientifically-based decision support for assessing the performance of nuclear and hazardous waste management and environmental clean-up systems.

Infrastructure surety can make a valuable contribution to the transportation engineering industry. The lessons learned at Sandia National Laboratories in developing surety principles and technologies for the nuclear weapons complex and the nuclear power industry hold direct applications to the safety, security, and reliability of the critical infrastructure. This presentation introduces the concepts of infrastructure surety, including identification of the normal, abnormal, and malevolent threats to the transportation infrastructure. National problems are identified and examples of failures and successes in response to environmental loads and other structural and systemic vulnerabilities are presented. The infrastructure surety principles developed at Sandia National Laboratories are described. Currently available technologies including (a) three-dimensional computer-assisted drawing packages interactively combined with virtual reality systems, (b) the complex calculational and computational modeling and code-coupling capabilities associated with the new generation of supercomputers, and (c) risk-management methodologies with application to solving the national problems associated with threats to the critical transportation infrastructure are discussed.

The Technical Safety Requirements (TSR) document is prepared and issued in compliance with DOE Order 5480.22, Technical Safety Requirements. The bases for the TSR are established in the ACRRF Safety Analysis Report issued in compliance with DOE Order 5480.23, Nuclear Safety Analysis Reports. The TSR identifies the operational conditions, boundaries, and administrative controls for the safe operation of the facility.

The authors have recently demonstrated two prototypes where photonics and microelectromechanical system (MEMs) technologies have been integrated to show proof-of-principle functionality for weapon surety functions. These activities are part of a program which is exploring the miniaturization of electromechanical components for making weapon systems safer. Such miniaturization can lead to a low-cost, small, high-performance ``systems-on-a-chip``, and have many applications ranging from advanced military systems to large-volume commercial markets like automobiles, rf or land-based communications networks and equipment, or commercial electronics. One of the key challenges in realization of the microsystem is integration of several technologies including digital electronics; analog and rf electronics, optoelectronics (light emitting and detecting devices and circuits), sensors and actuators, and advanced packaging technologies. In this work the authors describe efforts in integrating MEMs and photonic functions and the fabrication constraints on both system components. Here, they discuss two examples of integration of MEMs and a photonic device. In the first instance, a MEMs locking device pin is driven by a voltage generated by photovoltaic cells connected in series, which are driven by a laser. In the second case, a VCSEL emitting at 1.06 {micro}m is packaged together with a metallized MEMs shutter. By appropriate alignment to the opening in the shutter, the VCSEL is turned on and off by the movement of the Si chopper wheel.

In performing assessments of low probability, high consequence systems, it is often preferable to use more than one methodology in order to assure that such systems undergo a thorough assessment. Hence, employing two methodologies in a complementary manner allows the analyst to bring the strongest features of each approach to bear upon the problem. The results of one methodology can be used to crosscheck or better characterize the results of another methodology, with the results being synergized in providing a comprehensive assessment of the system. This paper will briefly describe both the first principles and model based safety assessment methodologies, and will illustrate how both methods are used in a complementary manner in order to perform overall safety assessments of low probability, high consequence engineered systems at Sandia National Laboratories.

Past memory logging tools have provided excellent pressure/temperature data when used in a geothermal environment, and they are easier to maintain and deploy than tools requiring an electric wireline connection to the surface. However, they are deficient since the tool operator is unaware of downhole conditions that could require changes in the logging program. Tools that make ``decisions`` based on preprogrammed scenarios can partially overcome this difficulty, and a suite of such memory tools has been developed at Sandia National Laboratories. The first tool, which forms the basis for future instruments, measures pressure and temperature. Design considerations include a minimization of cost while insuring quality data, size compatibility with diamond-cored holes, operation in holes to 425 C (800 F), transportability by ordinary passenger air service, and ease of operation. This report documents the development and construction of the pressure/temperature tool. It includes: (1) description of the major components; (2) calibration; (3) typical logging scenario; (4) tool data examples; and (5) conclusions. The mechanical and electrical drawings, along with the tool`s software, will be furnished upon request.

One of the major outgrowths resulting from the collapse of the former Soviet Union (FSU) has been an increase in technical information exchange and dialogue between the Russian and American nuclear weapons laboratories. One area of such discussions is concerned with the safety of low probability, high consequence systems and operations. In order to further the understanding between the respective institutes in this important area, a collaborative effort has been established between Sandia National Laboratories and the two premier Russian nuclear weapons laboratories, Arzamas-16 and Chelyabinsk-70, in which a common database has been developed which contains safety information provided by all three laboratories. More than 1,200 documents have been placed by the three institutes into this database. This paper describes the details of this data base, including the types of safety information being stored.

This paper provides a summary of lessons learned from experiences on the Waste Isolation Pilot Plant (WJPP) Project in implementation of quality assurance controls surrounding inputs for performance assessment analysis. Since the performance assessment (PA) process is inherent in compliance determination for any waste repository, these lessons-learned are intended to be useful to investigators, analysts, and Quality Assurance (QA) practitioners working on high level waste disposal projects. On the WIPP Project, PA analyses for regulatory-compliance determination utilized several inter-related computer programs (codes) that mathematically modeled phenomena such as radionuclide release, retardation, and transport. The input information for those codes are the parameters that are the subject of this paper. Parameters were maintained in a computer database, which was then queried electronically by the PA codes whenever input was needed as the analyses were run.

Rainier Mesa is structurally similar to Yucca Mountain, and receives precipitation similar to the estimated long-term average for Yucca Mountain. Tunnels through the unsaturated zone at Rainier Mesa have encountered perched water and, after the perched water was drained, flow in fractures and faults. Although flow observations have been primarily qualitative, Rainier Mesa hydrology is a potential analog for Yucca Mountain hydrology in a wetter climate. In this paper, a groundwater flow model that has been used in the performance assessment of Yucca Mountain--the weeps model--is applied to Rainier Mesa. The intent is to gain insight in both Rainier Mesa and the weeps flow model.

Solid-state magic angle spinning (MAS) nuclear magnetic resonance (NMR) spectroscopy has become a powerful tool for the investigation of local structure and medium range order in glasses. Previous {sup 31}P MAS NMR studies have detailed the local structure for a series of phosphate glasses. Phosphate tetrahedra within the glass network are commonly described using the Q{sup n} notation, where n = 0, 1, 2, 3 and represents the number of bridging oxygens attached to the phosphate. Using {sup 31}P MAS NMR different phosphate environments are readily identified and quantified. In this paper, the authors present a brief description of recent one dimensional (1D) {sup 6}Li, {sup 7}Li and {sup 31}P MAS experiments along with two-dimensional (2D) {sup 31}P exchange NMR experiments for a series of lithium ultraphosphate glasses. From the 2D exchange experiments the connectivities between different Q{sup n} phosphate tetrahedra were directly measured, while the 1D experiments provided a measure of the P-O-P bond angle distribution and lithium coordination number as a function of Li{sub 2}O concentration.

In most probabilistic risk assessments, there is a subset of accident scenarios that involves physical challenges to the system, such as high heat rates and/or accelerations. The system`s responses to these challenges may be complicated, and their prediction may require the use of long-running computer codes. To deal with the many scenarios demanded by a risk assessment, the authors have been investigating the use of artificial neural networks (ANNs) as a fast-running estimation tool. They have developed a multivariate linear spline algorithm by extending previous ANN methods that use radial basis functions. They have applied the algorithm to problems involving fires, shocks, and vibrations. They have found that within the parameter range for which it is trained, the algorithm can simulate the nonlinear responses of complex systems with high accuracy. Running times per case are less than one second.

With advanced subsonic transports and military aircraft operating in the transonic regime, it is becoming important to determine the effects of the coupling between aerodynamic loads and elastic forces. Since aeroelastic effects can significantly impact the design of these aircraft, there is a strong need in the aerospace industry to predict these interactions computationally. Such an analysis in the transonic regime requires high fidelity computational fluid dynamics (CFD) analysis tools, due to the nonlinear behavior of the aerodynamics in the transonic regime and also high fidelity computational structural dynamics (CSD) analysis tools. Also, there is a need to be able to use a wide variety of CFD and CSD methods to predict aeroelastic effects. Since source codes are not always available, it is necessary to couple the CFD and CSD codes without alteration of the source codes. In this study, an aeroelastic coupling procedure is developed to determine the static aeroelastic response of aircraft wings using any CFD and CSD code with little code integration. The aeroelastic coupling procedure is demonstrated on an F/A-18 Stabilator using NASTD (an in-house McDonnell Douglas CFD code) and NASTRAN. In addition, the Aeroelastic Research Wing (ARW-2) is used for demonstration of the aeroelastic coupling procedure by using ENSAERO (NASA Ames Research Center CFD code) and a finite element wing-box code. The results obtained from the present study are compared with those available from an experimental study conducted at NASA Langley Research Center and a study conducted at NASA Ames Research Center using ENSAERO and modal superposition. The results compare well with experimental data.

Rigid polyurethane foams are used as encapsulants to isolate and support thermally sensitive components within weapon systems. When exposed to abnormal thermal environments, such as fire, the polyurethane foam decomposes to form products having a wide distribution of molecular weights and can dominate the overall thermal response of the system. Decomposing foams have either been ignored by assuming the foam is not present, or have been empirically modeled by changing physical properties, such as thermal conductivity or emissivity, based on a prescribed decomposition temperature. The hypothesis addressed in the current work is that improved predictions of polyurethane foam degradation can be realized by using a more fundamental decomposition model based on chemical structure and vapor-liquid equilibrium, rather than merely fitting the data by changing physical properties at a prescribed decomposition temperature. The polyurethane decomposition model is founded on bond breaking of the primary polymer and formation of a secondary polymer which subsequently decomposes at high temperature. The bond breaking scheme is resolved using percolation theory to describe evolving polymer fragments. The polymer fragments vaporize according to individual vapor pressures. Kinetic parameters for the model were obtained from Thermal Gravimetric Analysis (TGA) from a single nonisothermal experiment with a heating rate of 20 C/min. Model predictions compare reasonably well with a separate nonisothermal TGA weight loss experiment with a heating rate of 200 C/min.