Publications

N-CART (the National Spent Nuclear Fuel Program Cost Analysis and Risk Tool) is being developed to aid in low-risk, cost-effective, timely management of radioactive waste and spent nuclear fuel, and can therefore be used in management of mixed waste. N-CART provides evaluation of multiple alternatives and presents the consequences of proposed waste management activities in a clear and concise format. N-CART`s decision-aiding analyses include comparisons and sensitivity analyses of multiple alternatives and allows the user to perform quick turn-around {open_quotes}what if{close_quotes} studies to investigate various scenarios. Uncertainties in data (such as cost and schedule of various activities) are represented as distributions. N-CART centralizes documentation of the bases of program alternatives and program decisions, thereby supporting responses to stakeholders concerns. The initial N-CART design considers regulatory requirements, costs, and schedules for alternative courses of action. The final design will include risks (public health, occupational, economic, scheduling), economic benefits, and the impacts of secondary waste generation. An optimization tool is being incorporated that allows the user to specify the relative importance of cost, time risks, and other bases for decisions. The N-CART prototype can be used to compare the costs and schedules of disposal alternatives for mixed low-level radioactive waste (MLLW) and greater-than-Class-C (GTCC) waste, as well as spent nuclear fuel (SNF) and related scrap material.

The use of dendrimers for preparing chemically sensitive interfaces for detecting volatile organic compounds (VOCs) using surface acoustic wave (SAW) device transducers is described. Specifically, the synthesis of the dendrimers and the means by which they are affixed to SAW devices is discussed, followed by a detailed spectroscopic analysis of the surface-confined dendrimers and a discussion of their interaction with different VOCs. Most of these preliminary experiments focus on dendrimer surface modification using benzoylchloride, which leads to phenyl terminal groups linked to the dendrimer via amide groups. The results of this study lead us to conclude that dendrimers: (1) provide general specificity towards classes of functional groups and are therefore suitable for array-based sensing schemes; (2) are intermediate in structure between monolayers and polymers and exhibit the desirable properties of both; (3) can be straightforwardly attached to the surfaces of acoustic wave devices.

Boron-doped back-surface fields (BSF`s) have potentially superior performance compared to aluminum-doped BSF`s due to the higher solid solubility of boron compared to aluminum. However, conventional boron diffusions require a long, high temperature step that is both costly and incompatible with many photovoltaic-grade crystalline-silicon materials. We examined a process that uses a relatively low-temperature aluminum-alloy process to obtain a boron-doped BSF by doping the aluminum with boron. In agreement with theoretical expectations, we found that thicker aluminum layers and higher boron doping levels improved the performance of aluminum-alloyed BSF`s.

Zinc polyphosphate glasses were examined as potential candidates for low temperature sealing applications. Glass-formation and properties were determined for the ZnO-P{sub 2}O{sub 5}, ZnO-B{sub 2}O{sub 3}-P{sub 2}O{sub 5} and ZnO-SnO-P{sub 2}O{sub 5} systems, and information about the short-range structures of these glasses was obtained by Raman and solid state nuclear magnetic resonance spectroscopies. In general, the most durable polyphosphate glasses have structures based on relatively short pyrophosphate chain lengths (i.e., 2 P-tetrahedra). Modified phosphate compositions are given, including compositions used to seal float glass substrates at temperatures as low as 500{degrees}C.

The purpose of hazardous and radioactive materials packaging is to enable these materials to be transported without posing a threat to the health or property of the general public. To achieve this aim, regulations in the US have been written establishing general design requirements for such packagings. While no regulations have been written specifically for mixed waste packaging, regulations for the constituents of mixed wastes, i.e., hazardous and radioactive substances, have been codified by the US Department of Transportation and the US Nuclear Regulatory Commission. Based on these national requirements, a Chemical Compatibility Testing Program was developed in the Transportation Systems Department at SNL. In this paper, the authors present the results of Part B of the second phase of this testing program. The first phase screened five liner materials and six seal materials towards four simulant mixed wastes. Part A of the second phase involved the comprehensive testing of five candidate liner materials to an aqueous Hanford Tank simulant mixed waste. Part B involved similar testing on elastomeric materials, ethylene-propylene and butadiene-acrylonitrile rubber. The comprehensive testing protocol involved exposing the respective materials to a matrix of four gamma radiation doses ({approximately}1, 3, 6, and 40 kGy), three temperatures (18, 50, and 60 C), and four exposure times (7, 14, 28, and 180 days). Following their exposure to these combinations of conditions, the materials were evaluated by measuring six material properties. These properties were specific gravity, dimensional changes, hardness, vapor transport rates, compression set, and mechanical properties.

A survey of robotic applications in radioactive environments has been conducted, and analysis of robotic system components and their response to the varying types and strengths of radiation has been completed. Two specific robotic systems for accident recovery and nuclear fuel movement have been analyzed in detail for radiation hardness. Finally, a general design approach for radiation-hardened robotics systems has been developed and is presented. This report completes this project which was funded under the Laboratory Directed Research and Development program.

The theme of this year`s Annual Meeting is ``Ancient Wisdom-Future Technology.`` The panel assembled for this session has been asked to think metaphorically about the theme and how it relates to their profession of human factors and ergonomics. Originally conceived as a debate centering around the older technologies and research techniques versus the newer ways of finding answers, it was soon realized that there was no dichotomy, but more of a synergy between the old and the new. If human factors is truly a philosophy of design rather than simply a body of knowledge, then one would expect consistency in approach regardless of field of application or new discoveries of human performance. Just as when two or more rivers combine to become a force mightier than the simple summation, the synergistic power of established techniques or knowledge and recent innovation is available to everyone in the profession. The invited panelists represent diverse perspectives in human factors and ergonomics, and this made for a stimulating discussion.

Efficient techniques for rapid tritium removal will be necessary for ITER to meet its physics and engineering goals. One potential technique is transient surface heating by a scanning CO{sub 2} or Nd:Yag laser that would release tritium without the severe engineering difficulties of bulk heating of the vessel. The authors have modeled the heat propagation into a surface layer and find that a multi-kW/cm{sup 2} flux with an exposure time of order 10 ms is suitable to heat a 50 micron co-deposited layer to 1,000--2,000 degrees. Improved wall conditioning may be a significant side benefit. They identify remaining issues that need to be addressed experimentally.

A simultaneous PVDF/VISAR measurement technique was used for isentropic-loading experiments with a polymethyl methacrylate (PMMA) specimen. The experiments used a graded density impactor accelerated onto a tantalum driver backed with PMMA and then lithium fluoride windows for each experiment. Simultaneous measurements made at each window interface provided precise transit time and particle velocity measurements which can be used to determine the stress-vs-strain loading path using Lagrangian analysis techniques. The experimental technique provides access to 40 GPa stress levels in PMMA under isentropic-loading conditions.

Lightning data, recorded with satellite optical sensors, are compared with extremely low frequency (ELF) and Schumann resonance (SR) data from the Sprites `96 Campaign. The satellite data are broad-band visible events recorded by the M46 satellite payload. Full width at half maximum and optical tail durations from the satellite data are compared with ELF slow tail features and Schumann resonance spectral color. In addition, continuing current estimates were computed for several positive cloud-to-ground (PCG) strokes. These estimates were derived using relative optical intensities from the satellite data and a peak current measurement from National Lightning Detection Network (NLDN) data. This assessment of M46 lightning data supports correlations between visible and ELF signatures. More data must be studied for compelling proof.

Providing uncontaminated weapon internal atmosphere samples and measuring their dew points is of paramount importance for enhanced surveillance and accelerated aging. The authors are developing and integrating four types of gas sampling systems for use throughout the weapons complex. They are utilizing tools to extract time/age information from the gas analysis of weapon internal atmospheres.

This paper discusses the reliability of several photovoltaic projects including SMUD`s PV Pioneer project, various projects monitored by Ascension Technology, and the Colorado Parks project. System times-to-failure range from 1 to 16 years, and maintenance costs range from 1 to 16 cents per kilowatt-hour. Factors contributing to the reliability of these systems are discussed, and practices are recommended that can be applied to future projects. This paper also discusses the methodology used to collect and analyze PV system reliability data.

Vapor diffusion in porous media in the presence of its liquid has often been analyzed like air diffusion. The diffusion rate is much lower than in free space due to the presence of the porous medium and any liquid present. However, enhanced vapor diffusion has also been postulated such that the diffusion rate may approach free-space values. The mechanisms postulated to lead to this enhancement include condensation/evaporation across isolated liquid islands in the porous media and an increased temperature gradient in the gas phase. In order to try to understand the mechanisms involved in such an enhancement, pore-scale models have been developed. Vapor diffusion in the presence of liquid islands has been evaluated for a one-dimensional pore network under a concentration gradient. The simulations show that significant enhancement of vapor diffusion is indeed possible in the presence of liquid islands, while air diffusion decreases slightly. While the present pore-scale model indicates that enhanced vapor diffusion is possible, only experimental data can confirm the relevant processes.

Several analysis methods have been applied to evaluate the structure and composition of the electrode/adhesive interfaces i previously fielded M2370 Fire Sets. A method of interfacial fracture at cryogenic temperatures as been employed to expose regions of these interfaces at multiple levels in a SFE stack. Electron microscopy shows that bond failure induced by the fracture is predominantly adhesive with an equal probability of failure of the Au and Cu interfaces. Some evidence for cohesive, indicative of a possible microstructure related to electrical breakdown. Pinhole-free larger regions of adhesive also exist which may explain the observed high resistance in impedance measurements.

Shock-induced depoling of the ferroelectric PZT 95/5 has been utilized in pulsed power applications for many years. Recently, new design and certification requirements have generated a strong interest in numerically simulating the operation of pulsed power devices. Because of a scarcity of relevant experimental data obtained within the past twenty years, we have initiated an extensive experimental study of the dynamic behavior of this material in support of simulation efforts. The experiments performed to date have been limited to examining the behavior of unpoled material. Samples of PZT 95/5 have been shocked to axial stresses from 0.5 to 5.0 GPa in planar impact experiments. Impact face conditions have been recorded using PVDF stress gauges, and transmitted wave profiles have been recorded either at window interfaces or at a free surface using laser interferometry (VISAR). The results significantly extend the stresses examined in prior studies of unpoled material, and ensure that a comprehensive experimental characterization of the mechanical behavior under shock loading is available for continuing development of PZT 95/5 material models.

We describe a new approach to second-order nonlinear optical materials, namely quadrupoling. This approach is valid in the regime of Kleinman (full permutation) symmetry breaking, and thus requires a two- or three dimensional microscopic nonlinearity at wavelengths away from material resonances. This {open_quotes}quadrupolar{close_quotes} nonlinearity arises from the second rank pseudotensor of the rotationally invariant representation of the second-order nonlinear optical tensor. We have experimentally investigated candidate molecules comprised of chiral camphorquinone derivatives by measuring the scalar invariant associated with the rank two pseudotensor using hyper-Rayleigh scattering. We have found sizable scalar figures of merit for several compounds using light for which the second harmonic wavelengths are greater than 100 nm longer than the absorption peak location. At these wavelengths, the quadrupolar scalar is as large as the polar (EFISH) scalar of p-nitroaniline. Prospects for applications are discussed.

Electromagnetic (EM) methods, long used for borehole logging as a formation evaluation tool in developed oil fields, are rarely applied in surface or crosshole configurations or applied in cased wells. This is largely due to the high levels of cultural noise and the preponderance of steel well casing. However, recent experimental success with crosshole EM systems for water and steam flood monitoring using fiberglass cased wells has shown promise in applying these techniques to development and production (D & P) problems. This paper describes technological solutions that will allow for successful application of EM techniques in oil fields, despite surface noise and steel casing. First an example sites the application of long offset logging to map resistivity structure away from the borehole. Next, a successful application of crosshole EM where one of the wells is steel cased is described. The potential application of earth`s field nuclear magnetic resonance (NMR) to map fluid saturation at large distances from the boreholes is also discussed.

A fundamental understanding of aging in an organic material requires that one understand how aging affects the chemical structure of a material, and how these chemical changes are related to the material`s macroscopic properties. This level of understanding is usually achieved by examining the material on a variety of length scales ranging from atomic to meso-scale to macroscopic. The authors are developing and applying several {sup 13}C nuclear magnetic resonance (NMR) spectroscopy experiments to characterize the aging process of organic materials over a broad range of length scales. Examples of studies which range from atomic to macroscopic will be presented.

Errors in model parameters, sensing, and control are inevitably present in real robot systems. These errors must be considered in order to automatically plan robust solutions to many manipulation tasks. Lozano-Perez, Mason, and Taylor proposed a formal method for synthesizing robust actions in the presence of uncertainty; this method has been extended by several subsequent researchers. All of these results presume the existence of worst-case error bounds that describe the maximum possible deviation between the robot`s model of the world and reality. This paper examines the problem of measuring these error bounds for a real robot workcell. These measurements are difficult, because of the desire to completely contain all possible deviations while avoiding bounds that are overly conservative. The authors present a detailed description of a series of experiments that characterize and quantify the possible errors in visual sensing and motion control for a robot workcell equipped with standard industrial robot hardware. In addition to providing a means for measuring these specific errors, these experiments shed light on the general problem of measuring worst-case errors.

Multicrystalline-silicon (mc-Si) materials and cells feature large areal variations in material and junction quality. The regions with poor device quality have been predicted to have more recombination current at forward bias than a simple area-weighted average due to the parallel interconnection of the good and bad regions by the front junction. The authors have examined the effect of gettering on areal inhomogeneities in large-area mc-Si cells. Cells with large areal inhomogeneities were found to have increased non-ideal recombination current, which is in line with theoretical predictions. Phosphorus-diffusion and aluminum-alloy gettering of mc-Si was found to reduce the areal inhomogeneities and improve large-area mc-Si device performance.

Inductively coupled plasma etching of GaN, AlN, InN, InGaN and InAlN was investigated in CH{sub 4}/H{sub 2}/Ar plasmas as a function of dc bias, and ICP power. The etch rates were generally quite low, as is common for III-nitrides in CH{sub 4} based chemistries. The etch rates increased with increasing dc bias. At low rf power (150 W), the etch rates increased with increasing ICP power, while at 350 W rf power, a peak was found between 500 and 750 W ICP power. The etched surfaces were found to be smooth, while selectivities of etch were {le} 6 for InN over GaN, AlN, InGaN and InAlN under all conditions.

Gas guns and velocity interferometric techniques have been used to determine the loading behavior of an AD995 alumina rod 19 mm in diameter by 75 mm and 150 mm long, respectively. Graded-density materials were used to impact both bare and sleeved alumina rods while the velocity interferometer was used to monitor the axial-velocity of the free end of the rods. Results of these experiments demonstrate that (1) a time-dependent stress pulse generated during impact allows an efficient transition from the initial uniaxial strain loading to a uniaxial stress state as the stress pulse propagates through the rod, and (2) the intermediate loading rates obtained in this configuration lie between split Hopkinson bar and shock-loading techniques.

The B61 accelerated aging unit (AAU) provided a unique opportunity to document the effects of a controlled, long-term thermal cycling environment on the aging of materials used in the device. This experiment was of particular interest to solder technologists because thermal cycling environments are a predominant source of solder joint failures in electronic assemblies. Observations of through hole solder joints in the MC2918 Firing Set from the B61 AAU did not reveal signs of catastrophic failure. Quantitative analyses of the microstructural metrics of intermetallic compound layer thickness and Pb-rich phase particle distributions indicated solder joint aging that was commensurate with the accelerated aging environment. The effects of stress-enhanced coarsening of the Pb-rich phase were also documented.

Passive autocatalytic recombiners (PARs) are being considered by the nuclear power industry as a combustible gas control system in operating plants and advanced light water reactor (ALWR) containments for design basis events. Sandia National Laboratories (SNL) has developed systems and methodologies to measure the amount of hydrogen that can be depleted in a containment by a PAR. Experiments were performed that determined the hydrogen depletion rate of a PAR in the presence of steam and also evaluated the effect of scale (number of cartridges) on the PAR performance at both low and high hydrogen concentrations.

The US Department of Energy has recently completed a topical safety analysis report outlining the design and operation of a Centralized Interim Storage Facility for spent commercial nuclear fuel. During the course of the design, dose assessments indicated the need for remote operation of many of the cask handling operations. Use of robotic equipment was identified as a desirable handling solution that is capable of automating many of the operations to maintain throughput, and sufficiently flexible to handle five or more different storage cask designs in varying numbers on a given day. This paper discusses the facility and the dose assessment leading to this choice, and reviews factors to be considered when choosing robotics or automation. Further, a new computer simulation tool to quantify dose to humans working in radiological environments, the Radiological Environment Modeling System (REMS), is introduced. REMS has been developed to produce a more accurate estimate of dose to radiation workers in new activities with radiological hazards.

This document describes a Software Development Methodology for High Consequence Systems. A High Consequence System is a system whose failure could lead to serious injury, loss of life, destruction of valuable resources, unauthorized use, damaged reputation or loss of credibility or compromise of protected information. This methodology can be scaled for use in projects of any size and complexity and does not prescribe any specific software engineering technology. Tasks are described that ensure software is developed in a controlled environment. The effort needed to complete the tasks will vary according to the size, complexity, and risks of the project. The emphasis of this methodology is on obtaining the desired attributes for each individual High Consequence System.

Vector network analyzers are a convenient way to measure scattering parameters of a variety of microwave devices. However, these instruments, unlike oscilloscopes for example, require a relatively high degree of user knowledge and expertise. Due to the complexity of the instrument and of the calibration process, there are many ways in which an incorrect measurement may be produced. The Microwave Project, which is part of SNL`s Primary Standards laboratory, routinely uses check standards to verify that the network analyzer is operating properly. In the past, these measurements were recorded manually and, sometimes, interpretation of the results was problematic. To aid the measurement assurance process, a software program was developed to automatically measure a check standard and compare the new measurements with a historical database of measurements of the same device. The program acquires new measurement data from selected check standards, plots the new data against the mean and standard deviation of prior data for the same check standard, and updates the database files for the check standard. The program is entirely menu-driven requiring little additional work by the user. This report describes the function of the software, including a discussion of its capabilities, and the way in which the software is used in the lab.

Three Milliwatt Generator Heat Source (MWGHS) shelf-life-related capsules were pressure-burst tested after thermal aging. Shelf-life capsules PB-08-03 (MC2893) and MPT-11-33 (MC3599) were tested at 1,010 C and capsule PB-07-13 (MC2893) was tested at 1,100 C. Subsequent to pressure-burst testing, each capsule was bubble-leak tested then metallographically examined. Post-mortem evaluation consisted of metallography, microhardness, scanning electron microscopy (SEM), and oxygen and nitrogen analysis. Capsules PB-08-03 and PB-07-13 failed by elevated temperature stress-rupture in the coarse-grained cap to body welds, as has been documented for previous capsules. Pressure-burst testing of capsule MPT-11-33 was terminated prior to failure after 739 hours on test at 1,010 C, however, microscopic examination of the weld indicated that similar failure had began to occur in the interior portion of the capsule to body weld. Evidence was obtained indicating that metallurgical changes occurred during the pressure-burst test performed at 1,100 C. The metallurgical observations of a preferred site for elevated temperature deformation and fracture (the coarse-grained weld region) and structural instability (the property changes during testing at 1,100 C) need to be considered in component lifetime prediction and modeling efforts.

This paper briefly describes a prototype sensor for detecting land mines placed in shallow water. An automatic system was developed which incorporates chemical concentration technology, an ion mobility spectrometer, and control and fluid movement subsystems. The system design was successfully demonstrated using laboratory instruments and equipment. Components for the portable unit, which will weigh less than 20 pounds, have been fabricated; field demonstrations will be completed by spring 1998. 4 figs.

This paper discusses recent experiments in the manipulation and assembly of parts with 100 micron outside dimensions and submicron tolerances. The objective of this work is to develop a micromanipulation workcell which can automatically assemble LIGA (Lithography Galvonoforming Abforming) parts using an assembly plan and a CAD drawing of each of the components. The workcell consists of an AdeptOne robot, precision stages, long distance microscope, and a high aspect ratio modeled polysilicon tweezers for picking up the parts. Fourier optics methods are used to generate synthetic microscope images from CAD drawings. These synthetic images are used off-line to test image processing routines under varying magnifications an depths of field. They also provide reference image features which are used to visually servo the true part to the desired position.

Designers of components-based, real-time systems need to guarantee to correctness of soft-ware and its output. Complexity of a system, and thus the propensity for error, is best characterized by the number of states a component can encounter. In many cases, large numbers of states arise where the processing is highly dependent on context. In these cases, states are often missed, leading to errors. The following are proposals for compactly specifying system states which allow the factoring of complex components into a control module and a semantic processing module. Further, the need for methods that allow for the explicit representation of ambiguity and uncertainty in the design of components is discussed. Presented herein are examples of real-world problems which are highly context-sensitive or are inherently ambiguous.

Photovoltaic (PV) modules that provide only ac power give new dimensions to the use of, and utility interface of, PV systems because all of the dc issues are virtually eliminated. These AC PV modules offer the important advantage that customers may now purchase a PV system without hiring a design engineer. A qualified electrician will be able to install a complete PV system that performs as expected and meets local electrical codes. Simple installations of additional AC PV modules will be possible once the proper branch circuit wiring and protection have been installed. Codes and standards are currently being written to address the utility-interconnect issues for AC PV modules and other interactive inverters. An industry-supported Task Group has recently written and submitted proposals for changes to bring Article 690 of the 1999 National Electrical Code{reg_sign} (NEC{reg_sign}) up to the state-of-the-art for PV devices such as AC PV modules. This paper summarizes the proposed code changes and standards related to the evolving AC PV module technology in the United States. Topics such as the need for dedicated branch circuits for AC PV modules in residential applications are discussed and analyzed. Requirements for limiting the number of AC modules on a branch circuit and the listing requirements that make safe installations are discussed. Coordination of all standards activities for AC module installations, the building-integrated perspectives, and utility-interface issues is discussed.

The U.S. National Photovoltaic Program began in 1975 by supporting the development of terrestrial PV modules and hardware associated with grid-connected PV systems. Early PV-system demonstration programs were also supported and cost shared by the U.S. Department of Energy (DOE). A wide variety of PV systems were deployed, usually with utility participation. The early demonstration projects provided, and continue to provide, valuable PV system experience to utilities, designers and suppliers. As a result of experience gained, several important milestones in codes and standards pertaining to the design, installation and operation of photovoltaic (PV) systems have been completed. These code and standard activities were conducted through collaboration of participants from all sectors of the PV industry, utilities and the US DOE National Photovoltaic Program. Codes and standards that have been proposed, written, or modified include changes and additions for the 1999 National Electric Code{reg_sign} (NEC{reg_sign}), standards for fire and personnel safety, system testing, field acceptance, component qualification, and utility interconnection. Project authorization requests with the Institute of Electrical and Electronic Engineers (IEEE) have resulted in standards for component qualification and were further adapted for standards used to list PV modules and balance-of-system components. Industry collaboration with Underwriter Laboratories, Inc., with the American Society for Testing and Materials, and through critical input and review for international standards with the International Electrotechnical Commission have resulted in new and revised domestic and international standards for PV applications. Activities related to work on codes and standards through the International Energy Agency are also being supported by the PV industry and the US DOE. The paper shows relationships between activities in standards writing.

A new method to analyze human errors has been demonstrated at a pressurized water reactor (PWR) nuclear power plant. This was the first application of the new method referred to as A Technique for Human Error Analysis (ATHEANA). The main goals of the demonstration were to test the ATHEANA process as described in the frame-of-reference manual and the implementation guideline, test a training package developed for the method, test the hypothesis that plant operators and trainers have significant insight into the error-forcing-contexts (EFCs) that can make unsafe actions (UAs) more likely, and to identify ways to improve the method and its documentation. A set of criteria to evaluate the {open_quotes}success{close_quotes} of the ATHEANA method as used in the demonstration was identified. A human reliability analysis (HRA) team was formed that consisted of an expert in probabilistic risk assessment (PRA) with some background in HRA (not ATHEANA) and four personnel from the nuclear power plant. Personnel from the plant included two individuals from their PRA staff and two individuals from their training staff. Both individuals from training are currently licensed operators and one of them was a senior reactor operator {open_quotes}on shift{close_quotes} until a few months before the demonstration. The demonstration was conducted over a 5 month period and was observed by members of the Nuclear Regulatory Commission`s ATHEANA development team, who also served as consultants to the HRA team when necessary. Example results of the demonstration to date, including identified human failure events (HFEs), UAs, and EFCs are discussed. Also addressed is how simulator exercises are used in the ATHEANA demonstration project.

Sandia National Laboratories has developed a computer based model called IVSEM (Integrated Verification System Evaluation Model) to estimate the performance of a nuclear detonation monitoring system. The IVSEM project was initiated in June 1994, by Sandia`s Monitoring Systems and Technology Center and has been funded by the US Department of Energy`s Office of Nonproliferation and National Security (DOE/NN). IVSEM is a simple, top-level, modeling tool which estimates the performance of a Comprehensive Nuclear Test Ban Treaty (CTBT) monitoring system and can help explore the impact of various sensor system concepts and technology advancements on CTBT monitoring. One of IVSEM`s unique features is that it integrates results from the various CTBT sensor technologies (seismic, infrasound, radionuclide, and hydroacoustic) and allows the user to investigate synergy among the technologies. Specifically, IVSEM estimates the detection effectiveness (probability of detection) and location accuracy of the integrated system and of each technology subsystem individually. The model attempts to accurately estimate the monitoring system`s performance at medium interfaces (air-land, air-water) and for some evasive testing methods such as seismic decoupling. This report describes version 1.2 of IVSEM.

The use of computational modeling to improve equipment and process designs for chemical vapor deposition (CVD) reactors is becoming increasingly common. Commercial codes are available that facilitate the modeling of chemically-reacting flows, but chemical reaction mechanisms must be separately developed for each system of interest. One f the products of the Watkins-Johnson Company (WJ) is a reactor marketed to semiconductor manufacturers for the atmospheric-pressure chemical vapor deposition (APCVD) of silicon oxide films. In this process, TEOS (tetraethoxysilane, Si(OC{sub 2}H{sub 5}){sub 4}) and ozone (O{sub 3}) are injected (in nitrogen and oxygen carrier gases) over hot silicon wafers that are being carried through the system on a moving belt. As part of their equipment improvement process, WJ is developing computational models of this tool. In this effort, they are collaborating with Sandia National Laboratories (SNL) to draw on Sandia`s experience base in understanding and modeling the chemistry of CVD processes.

Self Assembled (SA) thin films and Langmuir-Blodgett (LB) thin films are emerging technologies for the development of chemical and bio-chemical sensors, electrooptic films, second harmonic generators (frequency doublers), templates for biomimetic growth etc. One of the goals of this project was to extend Sandia`s characterization techniques and molecular modeling capabilities for these complex two-dimensional geometries with the objective of improving the control of the fabrication of these structures for specific applications. Achieving this requires understanding both the structure throughout the thickness of the films and the in-plane lattice of the amphiphilic molecules. To meet these objectives they used atomic force microscopy (AFM), X-ray reflectivity, and molecular modeling. While developing these capabilities, three different materials systems were fabricated and characterized: (1) Self Assembled Monolayers (SAMs) of octadecyltrichlorosilane (OTS) and LB films of arachidic acid on silicon wafers; (2) SAMs on PZT substrates; and (3) electrochemical deposition of CdS on LB film templates.

This report addresses the need for government sponsored R and D to address real public problems. The motivation is that a public benefit of the money spent must be demonstrated. The areas identified as not having appropriate attention resulting in unmet public needs include healthcare cost, cost and benefits of regulations, infrastructure problems, defense spending misaligned with foreign policy objectives, the crime problem, energy impact on the environment, the education problem, low productivity growth industry sectors, the income distribution problem, the aging problem, the propagation of disease and policy changes needed to address the solution of these problems.

The goal of this project was to develop a novel technology that may be used to eventually manufacture a new generation of inorganic membranes and sensors with oriented, unidirectional monosized pores. The premise is that very thin membranes with oriented channels as pores will have a high flux in addition to being highly selective. Applications include: (1) gas separation membranes for oxygen enrichment, partial oxidation, dehydrogenation, and purification of natural gas; (2) refractory catalytic membrane reactors; and (3) molecular recognition sensors. The methodology for making such membranes was to combine Langmuir - Blodgett (LB) technology with sol-gel chemistry to engineer pore channels within the range 3 to 20 K The channel structure was fabricated of amorphous SiO{sub 2} because of its good thermal, chemical, and mechanical stability. Our approach was to use LB techniques to uniformly place organic molecular spacers throughout a thin silica precursor matrix and apply this film to a substrate. LB films of solid solutions of commercially available silane amphiphiles and organic amphiphiles were fabricated. The siloxane groups were then hydrolyzed to form silica and the organic portions of the amphiphiles removed by thermal decomposition. With the completely fugitive organic spacer amphiphiles removed, a thin silica film with micropores resulted. The pore size was in the range of 6 - 8 {angstrom} and in an ultra-thin configuration. With further development this technique may be useful for fabrication of inorganic membranes which satisfy all the criteria of the ideal membrane.

Nuclear power plants are converting to digital instrumentation and control systems; however, the effects of abnormal environments such as fire and smoke on such systems are not known. There are no standard tests for smoke, but previous smoke exposure tests at Sandia National Laboratories have shown that digital communications can be temporarily interrupted during a smoke exposure. Another concern is the long-term corrosion of metals exposed to the acidic gases produced by a cable fire. This report documents measurements of basic functional circuits during and up to 1 day after exposure to smoke created by burning cable insulation. Printed wiring boards were exposed to the smoke in an enclosed chamber for 1 hour. For high-resistance circuits, the smoke lowered the resistance of the surface of the board and caused the circuits to short during the exposure. These circuits recovered after the smoke was vented. For low-resistance circuits, the smoke caused their resistance to increase slightly. A polyurethane conformal coating substantially reduced the effects of smoke. A high-speed digital circuit was unaffected. A second experiment on different logic chip technologies showed that the critical shunt resistance that would cause failure was dependent on the chip technology and that the components used in the smoke exposures were some of the most smoke tolerant. The smoke densities in these tests were high enough to cause changes in high impedance (resistance) circuits during exposure, but did not affect most of the other circuits. Conformal coatings and the characteristics of chip technologies should be considered when designing circuitry for nuclear power plant safety systems, which must be highly reliable under a variety of operating and accident conditions. 10 refs., 34 figs., 18 tabs.

A message-passing version of the PAGOSA shock-wave physics code has been developed at Sandia National Laboratories for multiple-instruction, multiple-data stream (MIMD) computers. PAGOSA is an explicit, Eulerian code for modeling the three-dimensional, high-speed hydrodynamic flow of fluids and the dynamic deformation of solids under high rates of strain. It was originally developed at Los Alamos National Laboratory for the single-instruction, multiple-data (SIMD) Connection Machine parallel computers. The performance of Sandia`s message-passing version of PAGOSA has been measured on two MIMD machines, the nCUBE 2 and the Intel Paragon XP/S. No special efforts were made to optimize the code for either machine. The measured scaled speedup (computational time for a single computational node divided by the computational time per node for fixed computational load) and grind time (computational time per cell per time step) show that the MIMD PAGOSA code scales linearly with the number of computational nodes used on a variety of problems, including the simulation of shaped-charge jets perforating an oil well casing. Scaled parallel efficiencies for MIMD PAGOSA are greater than 0.70 when the available memory per node is filled (or nearly filled) on hundreds to a thousand or more computational nodes on these two machines, indicating that the code scales very well. Thus good parallel performance can be achieved for complex and realistic applications when they are first implemented on MIMD parallel computers.

A contact enforcement algorithm has been developed for matrix-free quasistatic finite element techniques. Matrix-free (iterative) solution algorithms such as nonlinear Conjugate Gradients (CG) and Dynamic Relaxation (DR) are distinctive in that the number of iterations required for convergence is typically of the same order as the number of degrees of freedom of the model. From iteration to iteration the contact normal and tangential forces vary significantly making contact constraint satisfaction tenuous. Furthermore, global determination and enforcement of the contact constraints every iteration could be questioned on the grounds of efficiency. This work addresses this situation by introducing an intermediate iteration for treating the active gap constraint and at the same time exactly (kinematically) enforcing the linearized gap rate constraint for both frictionless and frictional response.

The aim of this project was to develop the capabilities for Sandia to fabricate self assembled Langmuir-Blodgett (LB) films of various materials and to exploit their two-dimensional crystalline structure to promote the growth of oriented thin films of inorganic materials at room temperature. This includes the design and synthesis of Langmuir-active (amphiphilic) organic molecules with end groups offering high nucleation potential for various ceramics. A longer range goal is that of understanding the underlying principles, making it feasible to use the techniques presented in this report to fabricate unique oriented films of various materials for electronic, sensor, and membrane applications. Therefore, whenever possible, work completed in this report was completed with the intention of addressing the fundamental phenomena underlying the growth of crystalline, inorganic films on template layers of highly organized organic molecules. This problem was inspired by biological processes, which often produce exquisitely engineered structures via templated growth on polymeric layers. Seashells, for example, exhibit great toughness owing to their fine brick-and-mortar structure that results from templated growth of calcium carbonate on top of layers of ordered organic proteins. A key goal in this work, therefore, is to demonstrate a positive correlation between the order and orientation of the template layer and that of the crystalline ceramic material grown upon it. The work completed was comprised of several parallel efforts that encompassed the entire spectrum of biomimetic growth from solution. Studies were completed on seashells and the mechanisms of growth for calcium carbonate. Studies were completed on the characterization of LB films and the capability developed for the in-house fabrication of these films. Standard films of fatty acids were studied as well as novel polypeptides and porphyrins that were synthesized.

Three relatively simple mathematical models have been developed to estimate minimum reactor and radiation shield masses for liquid-metal-cooled reactors (LMRs), in-core thermionic fuel element (TFE) reactors, and out-of-core thermionic reactors (OTRs). The approach was based on much of the methodology developed for the Reactor/Shield Mass (RSMASS) model. Like the original RSMASS models, the new RSMASS-derivative (RSMASS-D) models use a combination of simple equations derived from reactor physics and other fundamental considerations, along with tabulations of data from more detailed neutron and gamma transport theory computations. All three models vary basic design parameters within a range specified by the user to achieve a parameter choice that yields a minimum mass for the power level and operational time of interest. The impact of critical mass, fuel damage, and thermal limitations are accounted for to determine the required fuel mass. The effect of thermionic limitations are also taken into account for the thermionic reactor models. All major reactor component masses are estimated, as well as instrumentation and control (I&C), boom, and safety system masses. A new shield model was developed and incorporated into all three reactor concept models. The new shield model is more accurate and simpler to use than the approach used in the original RSMASS model. The estimated reactor and shield masses agree with the mass predictions from separate detailed calculations within 15 percent for all three models.

In 1967, Sandia National Laboratories published empirical equations to predict penetration into natural earth materials and concrete. Since that time there have been several small changes to the basic equations, and several more additions to the overall technique for predicting penetration into soil, rock, concrete, ice, and frozen soil. The most recent update to the equations was published in 1988, and since that time there have been changes in the equations to better match the expanding data base, especially in concrete penetration. This is a standalone report documenting the latest version of the Young/Sandia penetration equations and related analytical techniques to predict penetration into natural earth materials and concrete. 11 refs., 6 tabs.

This technical report describes some lessons learned from implementing the Message Passing Interface (MPI) standard, and some proposed extentions to MPI, at Sandia. The implementations were developed using Sandia-developed lightweight kernels running on the Intel Paragon and Intel TeraFLOPS platforms. The motivations for this research are discussed, and a detailed analysis of several implementation issues is presented.

The initial National Emission Standards for Hazardous Air Pollutants (NESHAP - 40 CFR 61, Subpart H) Program at Sandia National Laboratories, New Mexico (SNL/NM) required: (1) continuous air monitoring of sources if the calculated effective dose equivalent (EDE) to the maximum exposed individual (MEI) was > 0.1 mrem/yr; (2) the determination of emissions based on measurements or measured parameters if the EDE to the MEI was < 0.1 mrem/yr; and (3) the calculation of worst case releases when the expected air concentrations were below detection limits using standard monitoring equipment. This conservative interpretation of the regulation guided SNL/NM to model, track, and trend virtually all emission sources with the potential to include any radionuclides. The level of effort required to implement these activities was independent of the EDE contributing from individual sources. A recent programmatic review found the NESHAP program to be in excess of the legal requirements. A further review found that, in summation, 13 of 16 radionuclide sources had a negligible impact on the final calculated EDE to the MEI used to demonstrate compliance at 20 separate on-site receptor locations. A reevaluation was performed to meet the legal requirements of 40 CFR 61, Subpart H, and still be reasonable and appropriate under the existing circumstances.

Questions have arisen regarding the applicability of seismic sensors to detect mining (re-entry) with a tunnel boring machine (TBM). Unlike cut and blast techniques of mining which produce impulsive seismic signals, the TBM produces seismic signals which are of long duration. (There are well established techniques available for detecting and locating the sources of the impulsive signals.) The Yucca Mountain repository offered an opportunity to perform field evaluations of the capabilities of seismic sensors because during much of 1996, mining there was progressing with the use of a TBM. During the mining of the repository`s southern branch, an effort was designed to evaluate whether the TBM could be detected, identified and located using seismic sensors. Three data acquisition stations were established in the Yucca Mountain area to monitor the TBM activity. A ratio of short term average to long term average algorithm was developed for use in detection based on the characteristics shown in the time series. For location of the source of detected signals, FK analysis was used on the array data to estimate back azimuths. The back azimuth from the 3 component system was estimated from the horizontal components. Unique features in the timing of the seismic signal were used to identify the source as the TBM.

In this paper, the major elements of the site selection and characterization processes used in the US high level waste program are discussed. While much of the evolution of the site selection and characterization processes have been driven by the unique nature of the US program, these processes, which are well defined and documented, could be used as an initial basis for developing site screening, selection, and characterization programs in other countries. Thus, this paper focuses more on the process elements than the specific details of the US program.

In this paper the authors report on the direct bonding of compound semiconductors and silicon annealed at low temperatures (400 C) using hydrogen and nitrogen. Pressure and temperature relationships on interface characteristics were investigated with high resolution transmission electron microscopy and energy dispersive x-ray spectroscopy. It was found that no morphology differences existed between hydrogen and nitrogen annealed samples. applying the N{sub 2} bonding process, 850nm bottom emitting vertical cavity surface emitting lasers (VCSELs), were bonded to a transparent AlGaAs substrate. Finally, high anneal temperatures (up to 450 C) and shear stress values (> 1.6 MPa) were obtained for GaAs bonded to Si using a dry (plasma) activation technique.