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Modeling delamination growth in composites

Reedy Jr., E.D.; Mello, F.J.

A method for modeling the initiation and growth of discrete delaminations in shell-like composite structures is presented. The laminate is divided into two or more sublaminates, with each sublaminate modeled with four-noded quadrilateral shell elements. A special, eight-noded hex constraint element connects opposing sublaminate shell elements. It supplies the nodal forces and moments needed to make the two opposing shell elements act as a single shell element until a prescribed failure criterion is satisfied. Once the failure criterion is attained, the connection is broken, creating or growing a discrete delamination. This approach has been implemented in a 3D finite element code. This code uses explicit time integration, and can analyze shell-like structures subjected to large deformations and complex contact conditions. The shell elements can use existing composite material models that include in-plane laminate failure modes. This analysis capability was developed to perform crashworthiness studies of composite structures, and is useful whenever there is a need to estimate peak loads, energy absorption, or the final shape of a highly deformed composite structure. This paper describes the eight-noded hex constraint element used to model the initiation and growth of a delamination, and discusses associated implementation issues. Particular attention is focused on the delamination growth criterion, and it is verified that calculated results do not depend on element size. In addition, results for double cantilever beam and end notched flexure specimens are presented and compared to measured data to assess the ability of the present approach to model a growing delamination.

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Mode-expanded semiconductor laser with tapered-rib adiabatic-following fiber coupler

Vawter, G.A.; Smith, R.E.; Hou, H.; Wendt, J.R.

Expanded-mode semiconductor lasers are of great interest due to the benefits of reduced far-field divergence and improved coupling efficiency to optical fiber. The authors present a new diode laser using a Tapered-Rib Adiabatic-Following Fiber Coupler (TRAFFiC) to achieve 2D mode expansion without epitaxial regrowth or sharply-defined tips on tapered waveguides. The expanded mode size would allow 0.25 to 1 dB coupling loss to standard telecommunications fiber making smaller-core specialty fibers unnecessary, increasing misalignment tolerance, and eliminating the need for coupling optics.

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High resolution I{sub DDQ} characterization and testing -- Practical issues

Righter, A.W.

I{sub DDQ} testing has become an important contributor to quality improvement of CMOS ICs. This paper describes high resolution I{sub DDQ} characterization and testing (from the sub-nA to {micro}A level) and outlines test hardware and software issues. The physical basis of I{sub DDQ} is discussed. Methods for statistical analysis of I{sub DDQ} data are examined, as interpretation of the data is often as important as the measurement itself. Applications of these methods to set reasonable test limits for detecting defective product are demonstrated.

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Grey analysis

Cable, G.D.

Grey logic is not another name for fuzzy logic. Grey logic--also called grey analysis or grey system theory--is a new technology, a group of techniques for system analysis and modeling. Like fuzzy logic, grey logic is useful in situations with incomplete and uncertain information. Grey analysis is particularly applicable in instances with very limited data and in cases with little system knowledge or understanding. In this paper, a summary of the basic concepts of grey analysis is provided, with descriptions of its application to several classes of problems. Calculations methods are provided for grey relation analysis, and for modeling and prediction using grey methods.

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Implantation doping of GaN

Zolper, J.C.

Ion implantation has played an enabling role in the realization of many high performance photonic and electronic devices in mature semiconductor materials systems such as Si and GaAs. This can also be expected to be the case in III-Nitride based devices as the material quality continues to improve. This paper reviews the progress in ion implantation processing of the III-Nitride materials, namely, GaN, AlN, InN and their alloys. Details are presented of the successful demonstrations of implant isolation as well as n- and p-type implantation doping of GaN. Implant doping has required activation annealing at temperatures in excess of 1,000 C. The nature of the implantation induced damage and its response to annealing is addressed using Rutherford Backscattering. Finally, results are given for the first demonstration of a GaN device fabricated using ion implantation doping, a GaN junction field effect transistor (JFET).

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Moving/deforming mesh techniques for computational fluid dynamics and heat transfer

Blackwell, Bennie F.

This report represents a summary of a Laboratory Directed Research and Development (LDRD) project to develop general purpose unstructured grid techniques for solving free and moving boundary problems in computational fluid dynamics and heat transfer. Both control volume finite element and Galerkin finite element techniques were utilized. A very robust technique for keeping the deforming mesh from tangling was implemented; the mesh was treated as a fictitious elastic body. Sample results for an ablating nose tip and buoyancy driven flow in a box are presented. References to additional publications resulting from this work are included.

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Liaison based assembly design

Ames, Arlo

Liaison Based Assembly Design extends the current information infrastructure to support design in terms of kinematic relationships between parts, or liaisons. These liaisons capture information regarding contact, degrees-of-freedom constraints and containment relationships between parts in an assembly. The project involved defining a useful collection of liaison representations, investigating their properties, and providing for maximum use of the data in downstream applications. We tested our ideas by implementing a prototype system involving extensions to Pro/Engineer and the Archimedes assembly planner. With an expanded product model, the design system is more able to capture design intent. When a product update is attempted, increased knowledge availability improves our ability to understand the effect of design changes. Manufacturing and analysis disciplines benefit from having liaison information available, so less time is wasted arguing over incomplete design specifications and our enterprise can be more completely integrated.

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Enhanced low-rate radiation-induced charge trapping at the emitter-base/oxide interface of bipolar devices

Fleetwood, Daniel M.

The performance, reliability and radiation hardness of modern bipolar/BiCMOS devices and IC`s is limited by changes in surface recombination velocity and surface potential due to oxide-trap charge in the base oxide and near-midgap interface traps at the emitter- base/oxide interface. This report discusses how this charge trapping is enhanced by low-rate radiation as with implantation and annealing.

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Engineered photocatalysts for detoxification of waste water

Prairie, Michael R.

This report describes progress on the development of engineered photocatalysts for the detoxification of water polluted with toxic organic compounds and heavy metals. We examined a range of different oxide supports (titania, alumina, magnesia and manganese dioxide) for tin uroporphyrin and investigated the efficacy of a few different porphyrins. A water-soluble octaacetic-acid-tetraphenylporphyrin and its derivatives have been synthesized and characterized in an attempt to design a porphyrin catalyst with a larger binding pocket. We have also investigated photocatalytic processes on both single crystal and powder forms of semiconducting SiC with an ultimate goal of developing a dual-semiconductor system combining TiO{sub 2} and SiC. Mathematical modeling was also performed to identify parameters that can improve the efficiency of SiC-based photocatalytic systems. Although the conceptual TiO{sub 2}/SiC photodiode shows some promises for photoreduction processes, SiC itself was found to be an inefficient photocatalyst when combined with TiO{sub 2}. Alternative semiconductors with bandgap and band potentials similar to SiC should be tested in the future for further development and a practical utilization of the dual photodiode concept.

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The role of regional groundwater flow in the hydrogeology of the Culebra member of the Rustler formation at the Waste Isolation Pilot Plant (WIPP), southeastern New Mexico

Corbet, T.F.; Knupp, P.M.

Numerical simulation has been used to enhance conceptual understanding, of the hydrogeology of the Culebra Dolomite in the context of regional groundwater flow. The hydrogeology is of interest because this unit is a possible pathway for offsite migration of radionuclides from a proposed repository for defense-generated transuranic wastes (the Waste Isolation Pilot Plant). The numerical model used is three-dimensional, extends laterally to topographic features that form the actual boundaries of a regional groundwater system, and uses a free-surface upper boundary condition to simulate the effect of change in the rate of recharge on groundwater flow. Steady-state simulations were performed to examine the sensitivity of simulation results to assumed values for hydraulic conductivity and recharge rate. Transient simulations, covering the time period from 14,000 years in the past to 10,000 years in the future, provided insight into how patterns of groundwater flow respond to changes in climate. Simulation results suggest that rates and directions of Groundwater flow in the Culebra change with time due to interaction between recharge, movement of the water table, and the topography of the land surface. The gentle east-to-west slope of the land surface in the vicinity of the WIPP caused groundwater in the Culebra to flow toward and discharge into Nash Draw, a topographic depression. Modern-day flow directions in the Culebra reflect regional rather than local features of the topography. Changes in Groundwater flow, however, lagged behind changes in the rate of recharge. The present-day position of the water table is still adjusting to the decrease in recharge that ended 8,000 years ago. Contaminants introduced into the Culebra will travel toward the accessible environment along the Culebra rather than by leaking upward or downward into other units. Natural changes in flow over the next 10,000 years will be small and will mainly reflect future short-term wet periods.

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Results and conclusions test capabilities task group summary report

Pierce, K.G.

This annotated briefing documents an economic analysis of Sandia`s system-level test facilities maintained and operated by the Design, Evaluation, and Test Technology Center 9700. The study was divided into four primary sub-tasks: (1) Estimation of the future system-level test workload, (2) Development of a consistent economic model to estimate the cost of maintaining and operating the test facilities, (3) Determination of the availability of viable alternative test sites, and (4) Assessment of the potential savings through reduction of excess capacity under various facility-closure scenarios. The analysis indicated that potential savings from closing all facilities could approach $6 million per year. However, large uncertainties in these savings remove any sound economic arguments for such closure: it is possible that testing at alternative sites could cost more than maintaining the current set of system-level test facilities. Finally, a number of programmatic risks incurred by facility closure were identified. Consideration of facility closure requires a careful weighing of any projected economic benefit against these programmatic risks. This summary report covers the briefing given to upper management. A more detailed discussion of the data and analyses is given in the full report, available for internal use from the technical library.

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Demonstration of close-coupled barriers for subsurface containment of buried waste

Dwyer, Brian P.

The primary objective of this project is to develop and demonstrate a close-coupled barrier for the containment of subsurface waste or contaminant migration. A close-coupled barrier is produced by first installing a conventional cement grout curtain followed by a thin inner lining of a polymer grout. The resultant barrier is a cement polymer composite that has economic benefits derived from the cement and performance benefits from the durable and resistant polymer layer. Close-coupled barrier technology is applicable for final, interim, or emergency containment of subsurface waste forms. Consequently, when considering the diversity of technology application, the construction emplacement and material technology maturity, general site operational requirements, and regulatory compliance incentives, the close-coupled barrier system provides an alternative for any hazardous or mixed waste remediation plan. This paper discusses the installation of a close-coupled barrier and the subsequent integrity verification.

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Penetration into limestone targets with ogive-nose steel projectiles

Forrestal, Michael J.

We conducted depth of penetration experiments into limestone targets with 3.0 caliber-radius-head, 4340 Rc 45 steel projectiles. Powder guns launched two projectiles with length-to-diameter ratios of ten to striking velocities between 0.4 and 1.5 km/s. Projectiles had diameters and masses of 12.7 mm, 0. 117 kg and 25.4 mm, 0.610 kg. Based on data sets with these two projectile scales, we proposed an empirical penetration equation that described the target by its density and an empirical strength constant determined from penetration depth versus striking velocity data.

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Thermally induced evolution of morphology on ceramic surfaces in a thermionic converter

Zavadil, Kevin R.

The morphology of alumina and scandia ceramics exposed to controlled vacuum and diffusion modes in a thermionic converter has been studied. Evidence for vaporization at a temperature of 1,770 K is manifest in the resulting surface morphologies of both ceramics, consistent with reported sample mass loss. Alumina shows intergranular relief with the formation of terrace--step structure on the grain surfaces. Terrace formation is not directly observed on scandia, however the development of vertical structure and maintenance of voids indicates that vaporization is initiated by structure at the grain edges. Extensive Sc{sub 2}O{sub 3} re-deposition occurs on the scandia surface, possibly mediated by the presence of molybdenum and tungsten. Evidence exists for refractory metal secondary phase formation in this deposit in the form of Sc{sub 6}MO{sub 12} (M = W or Mo). Alumina also shows evidence for materials` interactions in the form of tantalum assisted vaporization which significantly alters the terrace structure.

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Containment performance of prototypical reactor containments subjected to severe accident conditions

Klamerus, Eric W.

In SECY-90-016, the NTRC proposed a safety goal of a conditional containment failure probability (CCFP) of 0.1 and the alternative acceptance criteria allowed for steel containments, which specifies that the stresses should not exceed ASNE Level C allowables for severe accident pressures and temperatures. In this work, the need for an equivalent criterion for concrete containments was studied. Six surrogate containments were designed and analyzed in order to compare the margins between design pressure, pressure resulting in exceedance of Level C (or yield) stress limits, and ultimate pressure. For comparability, each containment has an identical internal volume and design pressure. Results from the analysis showed margins to yield are comparable and display a similar margin for both steel and concrete containments. In addition, the margin to failure, although slightly higher in the steel containments, were also comparable. Finally, a CCFP for code design was determined based on general membrane behavior and imposing an upper bound severe accident curve developed in the DCH studies. The resulting CCFP`s were less then 0.02 (or 2%) for all the surrogate containments studied, showing that these containment designs all achieved the NRC safety goal.

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SCOPE safety-controls optimization by performance evaluation: A systematic approach for safety-related decisions at the Hanford Tank Remediation System. Phase 1, final report

Bergeron, K.D.

The Department of Energy`s Hanford Tank Waste Remediation system poses a significant challenge for hazard management because of the uncertainty that surrounds many of the variables that must be considered in decisions on safety and control strategies. As a result, site managers must often operate under excessively conservative and expensive assumptions. This report describes a systematic approach to quantifying the uncertainties surrounding the critical parameters in control decisions (e.g., condition of the tanks, kinds of wastes, types of possible accidents) through the use of expert elicitation methods. The results of the elicitations would then be used to build a decision support system and accident analysis model that would allow managers to see how different control strategies would affect the cost and safety of a facility configuration.

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Bentonite as a waste isolation pilot plant shaft sealing material

Daemen, J.; Ran, Chongwei

Current designs of the shaft sealing system for the Waste Isolation Pilot Plant (WIPP) propose using bentonite as a primary sealing component. The shaft sealing designs anticipate that compacted bentonite sealing components can perform through the 10,000-year regulatory period and beyond. To evaluate the acceptability of bentonite as a sealing material for the WIPP, this report identifies references that deal with the properties and characteristics of bentonite that may affect its behavior in the WIPP environment. This report reviews published studies that discuss using bentonite as sealing material for nuclear waste disposal, environmental restoration, toxic and chemical waste disposal, landfill liners, and applications in the petroleum industry. This report identifies the physical and chemical properties, stability and seal construction technologies of bentonite seals in shafts, especially in a saline brine environment. This report focuses on permeability, swelling pressure, strength, stiffness, longevity, and densification properties of bentonites.

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PROGRAM DROP: A computer program for prediction of evaporation from freely falling multicomponent drops

Gavin, P.M.

PROGRAM DROP consists of a series of FORTRAN routine which together are used to model the evaporation of a freely falling, multicomponent drop composed of an arbitrary number of volatile species and a single nonvolatile, inert component. The physics underlying the model are clearly identified, and the model`s relationship to previous work in the literature is described. Test cases are used to illustrate the viability of the model and to highlight its potential usefulness in the accurate prediction of multicomponent droplet vaporization in a variety of applications.

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Data zooming--a new physics for information navigation

Davidson, George S.

This research project used Pad++, a user interface originally developed by Jim Holland. The objective was to explore the utility of that user interface to large databases of information such as those found on the World Wide Web. A web browser based on Pad++ was developed in the first year of this project The first year results, including the human factors were documented in a video and were presented at a SNL-wide seminar. The second year of this research project focused on applying the results of the first year research. The work in the second year involves using Pad++ as a basis for tools to manage large complicated web sites. Pad++ is ideally suited to this complex activity. A prototype was developed, which presents Web relationships in 3D hyperspace, following research from the Geometry Center at the University of Minnesota. Various human factors studies were completed, which indicate Pad++ web browsers allow users to comprehend 23% faster than when using Netscape.

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Characterizing large strain crush response of redwood

Mcmurtry, W.M.

Containers for the transportation of hazardous and radioactive materials incorporate redwood in impact limiters. Redwood is an excellent energy absorber, but only the most rudimentary information exists on its crush properties. The objectives of the study were to fill the information gap by collecting triaxial load-deformation data for redwood; to use these data to characterize redwood crush, assess current wood failure theories, provide developments toward a complete stress-strain theory for redwood; and to review the literature on strain-rate effects on redwood crush performance. The load-deformation responses of redwood at temperature conditions corresponding to ambient (70{degrees}F), 150{degrees}F, and {minus}20{degrees}F conditions were measured in approximately 100 confined compression tests for crush levels leading to material densification. Data analysis provided a more complete description of redwood crush performance and a basis for assessing proposed general orthotropic stress-strain relationships for redwood. A review of existing literature indicated that strain-rate effects cause at most a 20 percent increase in crush stress parallel to grain.

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Proceedings of US/Japan workshop, Q219 on high heat flux components and plasma surface interactions for next fusion devices

Ulrickson, Michael A.

This report contains the viewgraphs from the proceedings of US/Japan Workshop on High Heat Flux Components and Plasma Surface Interactions for Next Fusion Devices. Some of the general topics covered by this report are: PFC/PSI in tokamak and helical devices; development of high heat flux components; PSIS and plasma facing materials;tritium; and material damage.

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Photovoltaic battery & charge controller market & applications survey. An evaluation of the photovoltaic system market for 1995

Corey, Garth P.

Under the sponsorship of the Department of Energy, Office of Utility Technologies, the Battery Analysis and Evaluation Department and the Photovoltaic System Assistance Center of Sandia National Laboratories (SNL) initiated a U.S. industry-wide PV Energy Storage System Survey. Arizona State University (ASU) was contracted by SNL in June 1995 to conduct the survey. The survey included three separate segments tailored to: (a) PV system integrators, (b) battery manufacturers, and (c) PV charge controller manufacturers. The overall purpose of the survey was to: (a) quantify the market for batteries shipped with (or for) PV systems in 1995, (b) quantify the PV market segments by battery type and application for PV batteries, (c) characterize and quantify the charge controllers used in PV systems, (d) characterize the operating environment for energy storage components in PV systems, and (e) estimate the PV battery market for the year 2000. All three segments of the survey were mailed in January 1996. This report discusses the purpose, methodology, results, and conclusions of the survey.

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Tool development and application: pressure, temperature, spectral gamma ray logging of the SB-15 well

Sattler, Allan R.

Sandia`s involvement with downhole instrumentation dates from the mid 1970s when work was centered on the development of a high-temperature acoustic borehole televiewer, and the establishment of a list of high- temperature component parts such as resistors, integrated circuits, and sensors. This work evolved into the development of memory logging devices for the US Continental Scientific Drilling Program. These tools were of low cost and very easy to use. Their deployment resulted in scientific advancement in understanding geothermal formations, and a thrust of the current program is to move memory tools from the scientific realm to the commercial environment. The tools developed and utilized in the SB-15 well among other field tests are completely self- contained in that power is obtained from batteries and data are stored in an electronic memory system. Three memory tools form the backbone of the initial Sandia tool suite. Pressure/temperature measurements are necessary for the evaluation of geothermal reservoirs, and they are relatively simple to make. Thus, the initial Sandia program concentrated on such a tool, and it has been successfully used in SB-15. This tool will form the basis for future tools since many engineering principles were proven in its evolution. This pressure/temperature tool combination is very useful in characterizing the geothermal reservoir. Another tool in the Sandia suite measures the natural gamma rays from the formation. This spectral gamma ray tool is useful in defining lithology, paleoflows, and certain clays. SB-15 well logging history and a preliminary interpretation of the data is presented in this report.

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Economic evaluation of solar-only and hybrid power towers using molten salt technology

Kolb, Gregory J.

Several hybrid and solar-only configurations for molten-salt power towers were evaluated with a simple economic model, appropriate for screening analysis. The solar specific aspects of these plants were highlighted. In general, hybrid power towers were shown to be economically superior to solar-only plants with the same field size. Furthermore, the power-booster hybrid approach was generally preferred over the fuel-saver hybrid approach. Using today`s power tower technology, economic viability for the solar power-boost occurs at fuel costs in the neighborhood of $2.60/MBtu to $4.40/ MBtu (low heating value) depending on whether coal-based or gas-turbine-based technology is being offset. The cost Of CO[sub 2] avoidance was also calculated for solar cases in which the fossil fuel cost was too low for solar to be economically viable. The avoidance costs are competitive with other proposed methods of removing CO[sub 2] from fossil-fired power plants.

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Photovoltaic power systems and the National Electrical Code: Suggested practices

Thomas, Michael G.

This guide provides information on how the National Electrical Code (NEC) applies to photovoltaic systems. The guide is not intended to supplant or replace the NEC; it paraphrases the NEC where it pertains to photovoltaic systems and should be used with the full text of the NEC. Users of this guide should be thoroughly familiar with the NEC and know the engineering principles and hazards associated with electrical and photovoltaic power systems. The information in this guide is the best available at the time of publication and is believed to be technically accurate; it will be updated frequently. Application of this information and results obtained are the responsibility of the user.

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Solar power tower development: Recent experiences

Kolb, Gregory J.

Recent experiences with the 10 MW{sub e} Solar Two and the 2.5 MW{sub t} TSA (Technology Program Solar Air Receiver) demonstration plants are reported. The heat transfer fluids used in these solar power towers are molten-nitrate salt and atmospheric air, respectively. Lessons learned and suggested technology improvements for next-generation plants are categorized according to subsystem. The next steps to be taken in the commercialization process for each these new power plant technologies is also presented.

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xdamp Version 2: An IDL{reg_sign}-based data manipulation program

Ballard, Sanford

The original DAMP (DAta Manipulation Program) was written by Mark Hedemann of Sandia National Laboratories and used the CA-DISSPLA{trademark} (available from Computer Associates International, Inc., Garden City, NY) graphics package as its engine. It was used to plot, modify, and otherwise manipulate the one-dimensional data waveforms (data vs. time) from a wide variety of accelerators. With the waning of CA-DISSPLA and the increasing popularity of UNIX{reg_sign}-based workstations, a replacement was needed. This package uses the IDL{reg_sign} software, available from Research Systems Incorporated in Boulder, Colorado, as the engine, and creates a set of widgets to manipulate the data in a manner similar to the original DAMP.IDL is currently supported on a wide variety of UNIX platforms such as IBM{reg_sign} workstations, Hewlett Packard workstations, SUN{reg_sign} workstations, Microsoft{reg_sign} Windows{trademark} computers, Macintosh{reg_sign} computers and Digital Equipment Corporation VMS{reg_sign} systems. Thus, xdamp is portable across many platforms. The authors have verified operation, albeit with some minor IDL bugs, on IBM PC computers using Windows, Windows 95 and Windows NT; IBM UNIX platforms; DEC Alpha and VMS systems; HP 9000/700 series workstations; and Macintosh computers, both regular and PowerPC{trademark} versions. Version 2 updates xdamp to require IDL version 4.0.1, adds many enhancements, and fixes a number of bugs.

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Career toolbox - the decision paper: A tool to facilitate decision-making

Williams, Janet L.

Guidelines for writing a decision paper are presented. The purpose of the decision paper is to present complex issues in an organized format; it is especially helpful when timeliness is important. The writing style and format of the decision paper are described. The format for a decision paper includes the issue or problem statement, relevant background material, options or alternatives, discussion, recommendation, coordination/endorsement, and record of decision.

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Compliance of the Waste Isolation Pilot Plant with 40 CFR 194.24(b)

Chu, Sze-Tai Y.

This paper presents aspects of DOE`s demonstration of compliance with the EPA regulation of the Waste Isolation Pilot Plant (WIPP). The WIPP, a geologic repository for transuranic (TRU) waste, is located 2150 feet below the ground surface in a bedded salt formation about 20 miles east of Carlsbad, NM. Performance of the WIPP as a repository requires that releases to the accessible environment not exceed the limits of the regulation 40 CFR Part 191(1) either when the WIPP is undisturbed, or if there is intrusion into the repository by drilling. In 1996, the EPA promulgated 40 CFR Part 194(2): the implementing regulation for 40 CFR Part 191. The regulatory subsection addressed here, 40 CFR 194.24(b), directs the DOE to identify and analyze the components and characteristics of the TRU waste that can impact performance of the WIPP repository, and thereby possibly impact waste containment. DOE must also analyze those waste characteristics and components that will not affect repository performance.

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Laboratory imaging of stimulation fluid displacement from hydraulic fractures

Tidwell, Vincent C.

Laboratory experiments were conducted to physically investigate the processes governing stimulation fluid displacement from hydraulic fractures. Experiments were performed on two scales: meter-scale in a 1500 cm{sup 2} sand pack and core-scale in a 65 cm{sup 2} API linear conductivity cell. High-resolution light transmission imaging was employed at the meter-scale to visualize and quantify processes governing fluid displacement. For comparison, complimentary tests were performed using an API conductivity cell under ambient test conditions and at elevated closure stress. In these experiments viscous fingering and gravity drainage were identified as the dominant processes governing fluid displacement. Fluid viscosity was found to dictate the relative importance of the competing displacement processes and ultimately determine the residual liquid saturation of the sand pack. The process by which fluid displacement occurs was seen to effect the shape of both the gas and liquid phase relative permeability functions. Knowledge of such viscosity/relative permeability relationships may prove useful in bounding predictions of post-stimulation recovery of gels from the fracture pack.

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Microseismic monitoring of the B-sand hydraulic fracture experiment at the DOE/GRI multi-site project

Warpinski, Norman R.

Six hydraulic-fracture injections into a fluvial sandstone at a depth of 4500 ft were monitored with multi-level triaxial seismic receivers in two wells, resulting in maps of the growth and final geometry of each fracture based upon microseismic activity. These diagnostic images show that the hydraulic fractures are highly contained for smaller-volume KCl-water injections, but height growth is significant for the larger-volume, higher-rate, higher-viscosity treatments. Fracture lengths for most injections are similar. Final results are also compared with fracture models.

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Permeability reduction by pyrobitumen, mineralization, and stress along large natural fractures in sandstones at 18,300 ft. depth: Destruction of a reservoir

Lorenz, John C.

Production of gas from the Frontier Formation at 18,300 R depth in the Frewen No. 4 Deep well, eastern Green River basin (Wyoming), was uneconomic despite the presence of numerous open natural fractures. Initial production tested at 500 MCFD, but dropped from 360 MCFD to 140 MCFD during a 10-day production test, and the well was abandoned. Examination of the fractures in the core suggests several probable reasons for this poor production. One factor is the presence of a hydrocarbon residue (carbon) which filled much of the porosity left in the smaller fractures after mineralization. An equally important factor is probably the reorientation of the in situ horizontal compressive stress to a trend normal to the main fractures, and which now acts to close fracture apertures rapidly during reservoir drawdown. This data set has unpleasant implications for the search for similar, deep fractured reservoirs.

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High-frequency scannerless imaging laser radar for industrial inspection and measurement applications

Schmitt, Randal L.

This report describes the development and testing of a high-frequency scannerless imaging laser radar system to evaluate its viability as an industrial inspection and measurement sensor. We modified an existing 5.5-Mhz scannerless laser radar to operate at 150 Mhz, and measured its performance including its spatial resolution and range resolution. We also developed new algorithms that allow rapid data reduction with improved range resolution. The resulting 150-Mhz ladar system demonstrated a range resolution of better than 3 mm, which represents nearly a factor-of-100 improvement in range resolution over the existing scannerless laser radar system. Based on this work, we believe that a scannerless range imager with 1- to 2-mm range resolution is feasible. This work was performed as part of a small-business CRADA between Sandia National Laboratories and Perceptron, Inc.

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Geology of the USW SD-12 drill hole Yucca Mountain, Nevada

Rautman, Christopher A.

Drill hole USW SD-12 is one of several holes drilled under Site Characterization Plan Study 8.3.1.4.3.1, also known as the {open_quotes}Systematic Drilling Program,{close_quotes} as part of the U.S. Department of Energy characterization program at Yucca Mountain, Nevada, which has been proposed as the potential location of a repository for high-level nuclear waste. The SD-12 drill hole is located in the central part of the potential repository area, immediately to the west of the Main Test Level drift of the Exploratory Studies Facility and slightly south of midway between the North Ramp and planned South Ramp declines. Drill hole USW SD-12 is 2166.3 ft (660.26 m) deep, and the core recovered essentially complete sections of ash-flow tuffs belonging to the lower half of the Tiva Canyon Tuff, the Pah Canyon Tuff, and the Topopah Spring Tuff, all of which are part of the Miocene Paintbrush Group. A virtually complete section of the Calico Hills Formation was also recovered, as was core from the entire Prow Pass Tuff formation of the Crater Flat Group.

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Novel metalloporphyrin catalysts for the oxidation of hydrocarbons

Nenoff, Tina M.

Work was done for developing biomimetic oxidation catalysts. Two classes of metalloporphyrin catalysts were studied. The first class of catalysts studied were a novel series of highly substituted metalloporphyrins, the fluorinated iron dodecaphenylporphyrins. These homogeneous metalloporphyrin catalysts were screened for activity as catalysts in the oxidation of hydrocarbons by dioxygen. Results are discussed with respect to catalyst structural features. The second type of catalysts studied were heterogeneous catalysts consisting of metalloporphyrins applied to inorganic supports. Preliminary catalytic testing results with these materials are presented.

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The role of noise in analog-to-digital converters

Brock, Billy C.

Because of the widespread use of digital systems in radars, instrumentation, and communication systems, an understanding of the role played by noise at the input to the analog-to-digital (A/D) converter is important. When digital signal processing is performed on the output of the A/D, it is crucial that the A/D respond linearly to the signal. The noise level at the input of the A/D is a determining factor for the linearity of the system. Many texts discuss the operation and performance of analog-to-digital converters and, although the understanding of the role of noise is not new, it seems that few, if any, discuss noise from the point of view presented here. This omission appears to lead to a misunderstanding of the importance of noise in these analog-to-digital systems. Single- bit and multiple-bit analog-to-digital converters will be analyzed, and it will be shown, that with the appropriate noise level at the input, even the single-bit converter can behave as a linear device. An example will be described whereby a ``feature`` of a particular commercial instrumentation system was based on a misunderstanding of the role of noise, and the use of this ``feature`` caused serious degradation of the system linearity and performance.

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LDRD final report: Automated planning and programming of assembly of fully 3D mechanisms

Kaufman, Stephen G.

This report describes the results of assembly planning research under the LDRD. The assembly planning problem is that of finding a sequence of assembly operations, starting from individual parts, that will result in complete assembly of a device specified as a CAD model. The automated assembly programming problem is that of automatically producing a robot program that will carry out a given assembly sequence. Given solutions to both of these problems, it is possible to automatically program a robot to assemble a mechanical device given as a CAD data file. This report describes the current state of our solutions to both of these problems, and a software system called Archimedes 2 we have constructed to automate these solutions. Because Archimedes 2 can input CAD data in several standard formats, we have been able to test it on a number of industrial assembly models more complex than any before attempted by automated assembly planning systems, some having over 100 parts. A complete path from a CAD model to an automatically generated robot program for assembling the device represented by the CAD model has also been demonstrated.

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3D packaging for integrated circuit systems

Chu, Dahwey

A goal was set for high density, high performance microelectronics pursued through a dense 3D packing of integrated circuits. A {open_quotes}tool set{close_quotes} of assembly processes have been developed that enable 3D system designs: 3D thermal analysis, silicon electrical through vias, IC thinning, mounting wells in silicon, adhesives for silicon stacking, pretesting of IC chips before commitment to stacks, and bond pad bumping. Validation of these process developments occurred through both Sandia prototypes and subsequent commercial examples.

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Evaluation of database technologies for the CTBT Knowledge Base prototype

Keyser, Ralph G.

This document examines a number of different software technologies in the rapidly changing field of database management systems, evaluates these systems in light of the expected needs of the Comprehensive Test Ban Treaty (CTBT) Knowledge Base, and makes some recommendations for the initial prototypes of the Knowledge Base. The Knowledge Base requirements are examined and then used as criteria for evaluation of the database management options. A mock-up of the data expected in the Knowledge Base is used as a basis for examining how four different database technologies deal with the problems of storing and retrieving the data. Based on these requirement and the results of the evaluation, the recommendation is that the Illustra database be considered for the initial prototype of the Knowledge Base. Illustra offers a unique blend of performance, flexibility, and features that will aid in the implementation of the prototype. At the same time, Illustra provides a high level of compatibility with the hardware and software environments present at the US NDC (National Data Center) and the PIDC (Prototype International Data Center).

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Characteristics of CVD ternary refractory nitride diffusion barriers

Fleming, J.G.

A range of different ternary refractory nitride compositions have been deposited by CVD (chemical vapor deposition) for the systems TiSiN, WBN, and WSiN. The precursors used are readily available. The structure, electrical, and barrier properties of the films produced by CVD are similar to those observed for films with similar compositions deposited by PVD (physical vapor deposition). The step coverage of the CVD processes developed is good and in some cases, exceptional. A combination of desirable resistivity, step coverage, and barrier properties exists simultaneously over a reasonable range of compositions for each system. Initial attempts to integrate WSiN films into a standard 0.5 micrometer CMOS process flow in place of a sputtered Ti/TiN stack were successful.

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Development of a geothermal resource in a fractured volcanic formation: Case study of the Sumikawa Geothermal Field, Japan

Finger, John T.

The principal purpose of this case study of the Sumikawa Geothermal Field is to document and to evaluate the use of drilling logs, surface and downhole geophysical measurements, chemical analyses, and pressure transient data for the assessment of a high temperature volcanic geothermal field. The work accomplished during Year 1 of this ongoing program is described in the present report. A brief overview of the Sumikawa Geothermal Field is given. The drilling information and downhole pressure, temperature, and spinner surveys are used to determine feedzone locations, pressures and temperatures. Available injection and production data from both slim holes and large-diameter wells are analyzed to evaluate injectivity/productivity indices and to investigate the variation of discharge rate with borehole diameter. Finally, plans for future work are outlined.

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A study of production/injection data from slim holes and large-diameter wells at the Takigami Geothermal Field, Kyushu, Japan

Finger, John T.

Production and injection data from nine slim holes and sixteen large-diameter wells at the Takigami Geothermal Field, Kyushu, Japan were analyzed in order to establish relationships (1) between injectivity and productivity indices, (2) between productivity/injectivity index and borehole diameter, and (3) between discharge capacity of slim holes and large-diameter wells. Results are compared with those from the Oguni and Sumikawa fields. A numerical simulator (WELBOR) was used to model the available discharge rate from Takigami boreholes. The results of numerical modeling indicate that the flow rate of large-diameter geothermal production wells with liquid feedzones can be predicted using data from slim holes. These results also indicate the importance of proper well design.

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Shock-wave properties of soda-lime glass

Chhabildas, L.C.

Planar impact experiments and wave profile measurements provided single and double shock equation of state data to 30 GPa. Both compression wave wave profile structure and release wave data were used to infer time-dependent strength and equation of state properties for soda-lime glass.

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VSHOT: a tool for characterizing large, imprecise reflectors

Jones, Scott A.

A prototype Video Scanning Hartmann Optical Tester (VSHOT) has been developed to characterize the optics of dish-type solar concentrators. VSHOT is a flexible platform that may characterize any large reflector with a focal length over diameter ratio (f{number_sign}) greater than 0. 45, and RMS optical error in the 0. I - I 0 milliradian range. The VSHOT hardware, software, and operation are described. Measurement uncertainty and preliminary test results are discussed. Another potential application being explored for the VSHOT is the quality assurance of slumped-glass automobile windshields. Preliminary test results from a reference optic and a section of a windshield are presented.

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Sandia/SEMATECH Contamination Free Manufacturing Research Center, novel sensor development activities for enhanced process control

Kelly, Michael J.

The Sandia/SEMATECH Contamination Free Manufacturing Research Center (CFMRC) was founded in 1992 with the goal of providing research and development support to the U.S. semiconductor industry in the area of defect reduction in manufacturing equipment and processes. The program encompasses topics in equipment/process contamination modeling, advanced wafer cleaning, water use reduction, organic contamination, wafer- map defect data analysis and contamination sensor development. The Contamination Sensor development activity focuses on producing advanced tools for the semiconductor industry by development and commercialization of in-line cost-effective sensors for measurement of contaminants in critical process tools. There are three phases to the CFMRC sensor development activities. Initially, efforts focus on sensor feasibility testing whereby several potential sensors are evaluated for technical and business issues such as sensitivity, reproducibility, cost, size, etc. After this initial screening, subsequent refinement of one or more chosen sensors occurs through beta-testing in a manufacturing environment to ensure viability for manufacturing applications. Lastly, commercialization with an existing supplier is critical in ensuring availability of the sensors for the industry. The examples described in this paper cover sensor development at all three stages in this evolutionary process.

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Summary pamphlet: 1995 site environmental report

Salinas, Stephanie A.

As required in U.S. Department of Energy (DOE) Order 5400.1, an Annual Site Environmental Report (ASER) has been prepared for Sandia National Laboratories/New Mexico (SNL/NM) for 1995. The ASER represents a key component of the DOE`s effort to keep the public informed about environmental efforts and compliance status at SNL/NM. This booklett was prepared by the Environmental Operations Center of SNL/NM and reviewed by Community Relations and Risk Management. Suggestions were incorporated from the students of New Futures High School as a part of the Environmental Education Program. This work is supported by the DOE under Contract DE-AC04-94AL85000. A copy of the ASER can be obtained by calling the Environmental Monitoring and Reporting Department at 848-0927. This pamphlet provides a brief summary of the 1995 SNL/NM environmental programs and monitoring results. Additional copies of this pamphlet may be obtained by calling the number above.

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Micromachined sensor and actuator research at Sandia`s Microelectronics Development Laboratory

Smith, J.H.

An overview of the surface micromachining program at the Microelectronics Development Laboratory of Sandia National Laboratories is presented. Development efforts are underway for a variety of surface micromachined sensors and actuators for both defense and commercial applications. A technology that embeds micromechanical devices below the surface of the wafer prior to microelectronics fabrication has been developed for integrating microelectronics with surface-micromachined micromechanical devices. The application of chemical-mechanical polishing to increase the manufacturability of micromechanical devices is also presented.

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LDRD summary report. Part 1: initiation studies of thin film explosvies used for scabbling concrete. Part 2: investigation of spray techniques for use in explosive scabbling of concrete

Benham, R.A.; Bickes Jr., R.W.; Grubelich, M.C.; Wackerbarth, D.E.; Brock, J.L.

We describe a new method for the scabbling of concrete surfaces using a thin layer of explosive material sprayed onto the surfaces. We also developed a new explosive mixture that could be applied with commercial spray painting equipment. The first part of our record describes experiments that studied methods for the initiation of the sprayed explosive. We successfully initiated layers 0.36 mm thick using a commercial EBW detonator, a flying plate detonator, and by pellet impact. The second part of our report describes a survey of spray methods and tests with two commercial spray systems that we believe could be used for developing a robotic spray system.

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Cleaning optimization for reduced chemical usage

Resnick, Paul

The use of dilute SC-1 (NH40H:H202:H20) chemistry cleaning processes for particle removal from silicon surfaces has been investigated. Dilute chemistries can be highly effective, especially when high- frequency acoustic energy (megasonics) is applied. The high particle removal efficacy of the dilute chemistry processes presumably arises due to increased double layer effects caused by reduced ionic strength. Dilute chemistry SC- I solutions exhibit somewhat reduced efficacy for removal of certain light organics; however, when dilute SC-1 is used along with other pre-gate cleaning steps (e.g. HF, SC-2, and piranha), then the overall cleaning sequence is quite effective. In addition to providing robust cleaning processes, dilute chemistries also result in significantly lower chemical and rinse water usage. Waste water treatment requirements are also lessened when dilute chemistry cleaning solutions are employed.

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Graphical programming of telerobotic tasks

Mcdonald, Michael J.

With a goal of producing faster, safer, and cheaper technologies for nuclear waste cleanup, Sandia is actively developing and extending intelligent systems technologies through the US Department of Energy Office of Technology Development (DOE OTD) Robotic Technology Development Program (RTDP). Graphical programming is a key technology for robotic waste cleanup that Sandia is developing for this goal. Graphical programming uses simulation such as TELEGRIP `on-line` to program and control robots. Characterized by its model-based control architecture, integrated simulation, `point-and-click` graphical user interfaces, task and path planning software, and network communications, Sandia`s Graphical Programming systems allow operators to focus on high-level robotic tasks rather than the low-level details. Use of scripted tasks, rather than customized programs minimizes the necessity of recompiling supervisory control systems and enhances flexibility. Rapid world-modelling technologies allow Graphical Programming to be used in dynamic and unpredictable environments including digging and pipe-cutting. This paper describes Sancho, Sandia`s most advanced graphical programming supervisory software. Sancho, now operational on several robot systems, incorporates all of Sandia`s recent advances in supervisory control. Graphical programming uses 3-D graphics models as intuitive operator interfaces to program and control complex robotic systems. The goal of the paper is to help the reader understand how Sandia implements graphical programming systems and which key features in Sancho have proven to be most effective.

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Battery testing for photovoltaic applications

Hund, Thomas D.

Battery testing for photovoltaic (PV) applications is funded at Sandia under the Department of Energy`s (DOE) Photovoltaic Balance of Systems (BOS) Program. The goal of the PV BOS program is to improve PV system component design, operation, reliability, and to reduce overall life-cycle costs. The Sandia battery testing program consists of: (1) PV battery and charge controller market survey, (2) battery performance and life-cycle testing, (3) PV charge controller development, and (4) system field testing. Test results from this work have identified market size and trends, PV battery test procedures, application guidelines, and needed hardware improvements.

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Planar surface-micromachined pressure sensors by chemical-mechanical polishing

Eaton, W.P.; Smith, J.H.

Planar, surface micromachined pressure sensors have been fabricated by an extension of the chemical-mechanical polishing (CMP) process. CMP eliminates many of the fabrication problems associated with the photolithography, dry etch, and metallization of non-planar devices. Furthermore, CMP adds additional design flexibility. The sensors are based upon deformable, silicon nitride diaphragms with polysilicon piezoresistors. Absolute pressure is detected by virtue of reference pressure cavities underneath the diaphragms.

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Lowering of intralevel capacitance using air gap structures

Fleming, J.G.

Interconnect delays, arising in part from intralevel capacitance, are one of the limiting factors in the performance of advanced integrated circuits. In addition, the problem of filling the spaces between neighboring metal lines with an insulator is becoming increasingly severe as aspect ratios increase. We address these problems by intentionally creating a air gap between closely spaced metal lines. The ends of the air gap and reentrant features are then sealed using a spin on dielectric. The entire structure is then capped with silicon dioxide and planarized . Simple modeling of mechanical test structures on silicon predicts an equivalent dielectric constant of 1.9 on features similar to those expected for 0.25 micron technologies. Metal to metal test structures fabricated in a 0.5 micron CMOS technology show that the process can be readily integrated with chemical mechanical polishing and current standard CMOS processes.

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Wide area continuous offender monitoring

Spencer, D.S.

The corrections system in the U.S. is supervising over five million offenders. This number is rising fast and so are the direct and indirect costs to society. To improve supervision and reduce the cost of parole and probation, first generation home arrest systems were introduced in 1987. While these systems proved to be helpful to the corrections system, their scope is rather limited because they only cover an offender at a single location and provide only a partial time coverage. To correct the limitations of first-generation systems, second-generation wide area continuous electronic offender monitoring systems, designed to monitor the offender at all times and locations, are now on the drawing board. These systems use radio frequency location technology to track the position of offenders. The challenge for this technology is the development of reliable personal locator devices that are small, lightweight, with long operational battery life, and indoors/outdoors accuracy of 100 meters or less. At the center of a second-generation system is a database that specifies the offender`s home, workplace, commute, and time the offender should be found in each. The database could also define areas from which the offender is excluded. To test compliance, the system would compare the observed coordinates of the offender with the stored location for a given time interval. Database logfiles will also enable law enforcement to determine if a monitored offender was present at a crime scene and thus include or exclude the offender as a potential suspect.

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Reciprocating and fixed probe measurements of n{sub e} and T{sub e} in the DIII-D divertor

Watkins, Jonathan

This paper describes divertor density and temperature measurements using both a new reciprocating Langmuir probe (XPT-RCP) which plunges vertically above the divertor floor up to the X-point height and swept, single, Langmuir probes fixed horizontally across the divertor floor. These types of measurements are important for testing models of the SOL and divertor which then are used to design plasma facing components in reactor size tokamaks. This paper presents an overview of the new divertor probe measurements and how they compare with the new divertor Thomson scattering system. The fast time response of the probe measurements allows detailed study of ELMs.

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A fast reciprocating Langmuir probe for the DIII-D divertor

Watkins, Jonathan

A new reciprocating Langmuir probe has been used to measure density and temperature profiles, ion flow, and potential fluctuation levels from the lower divertor floor up to the X-point on the DIII-D tokamak. This probe is designed to make fast (2 kHz swept, 20 kHz Mach, 500 kHz Vfloat) measurements with 2 mm spatial resolution in the region where the largest gradients on the plasma open flux tubes are found and therefore provide the best benchmarks for SOL and divertor numerical models. Profiles are constructed using the 300 ms time history of the probe measurements during the 25 cm reciprocating stroke. Both single and double null plasmas can be measured and compared with a 20 Hz divertor Thomson scattering system. The probe head is constructed of four different kinds of graphite to optimize the electrical and thermal characteristics. Electrically insulated pyrolytic graphite rings act as a heat shield to absorb the plasma heat flux on the probe shaft and are mounted on a carbon/carbon composite core for mechanical strength. The Langmuir probe sampling tips are made of a linear carbon fiber composite. The mechanical, electrical, data acquisition and power supply systems design will be described. Initial measurements will also be presented.

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Real-time 3D visualization of volumetric video motion sensor data

Carlson, Jeffrey

This paper addresses the problem of improving detection, assessment, and response capabilities of security systems. Our approach combines two state-of-the-art technologies: volumetric video motion detection (VVMD) and virtual reality (VR). This work capitalizes on the ability of VVMD technology to provide three-dimensional (3D) information about the position, shape, and size of intruders within a protected volume. The 3D information is obtained by fusing motion detection data from multiple video sensors. The second component involves the application of VR technology to display information relating to the sensors and the sensor environment. VR technology enables an operator, or security guard, to be immersed in a 3D graphical representation of the remote site. VVMD data is transmitted from the remote site via ordinary telephone lines. There are several benefits to displaying VVMD information in this way. Because the VVMD system provides 3D information and because the sensor environment is a physical 3D space, it seems natural to display this information in 3D. Also, the 3D graphical representation depicts essential details within and around the protected volume in a natural way for human perception. Sensor information can also be more easily interpreted when the operator can `move` through the virtual environment and explore the relationships between the sensor data, objects and other visual cues present in the virtual environment. By exploiting the powerful ability of humans to understand and interpret 3D information, we expect to improve the means for visualizing and interpreting sensor information, allow a human operator to assess a potential threat more quickly and accurately, and enable a more effective response. This paper will detail both the VVMD and VR technologies and will discuss a prototype system based upon their integration.

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Vortical structures in pool fires: Observation, speculation, and simulation

Tieszen, Sheldon R.

While all fires are complex and involve many phenomena, this report is limited to large, turbulent liquid-hydrocarbon pool fires. Large, liquid-hydrocarbon pool fires present a risk in petrochemical storage and processing facilities and transportation systems that contain large amounts of liquid hydrocarbons. This report describes observations, speculations, and numerical simulations of vortical structures in pool fires. Vortical structures are observed in fires with length scales ranging from those that bend millimeter-thick flame zones to those that entrain air many meters from the edge of the fire to its centerline. The authors propose that baroclinic vorticity generation is primarily responsible for production of rotational motion at small scale and that amalgamation is responsible for the production of large-scale rotational structures from the myriad of small-scale structures. Numerical simulations show that vortical structures having time-mean definitions can be resolved with a Reynolds-Average Navier-Stokes (RANS) approach. However, for vortical structures without time-mean definition, RANS is inappropriate, and another technique, such as Large Eddy Simulation (LES), should be employed. 39 refs., 52 figs., 3 tabs.

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A systems perspective of Comprehensive Test Ban Treaty monitoring and verification

Walker, Larry S.

On September 24, 1996, after decades of discussion and more than two years of intensive international negotiations, President Clinton, followed by representatives of (to date) more than 125 other countries, including the other four declared nuclear weapons states, signed the Comprehensive Test Ban Treaty. Each signatory now faces a complex set of technical and political considerations regarding the advisability of joining the treaty. Those considerations vary from country to country, but for many countries one of the key issues is the extent to which the treaty can be verified. In the case of the US, it is anticipated that treaty verifiability will be an important issue in the US Senate Advice and Consent Hearings. This paper will address treaty verifiability, with an emphasis on the interplay between the various elements of the International monitoring regime, as prescribed in the CTBT Treaty Text and its associated Protocol. These elements, coupled with the National regimes, will serve as an integrated set of overlapping, interlocking measures to support treaty verification. Taken as a whole, they present a formidable challenge to potential testers who wish not to be caught.

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Cooperative monitoring of regional security agreements

Pregenzer, Arian L.

This paper argues that cooperative monitoring plays a critical role in the implementation of regional security agreements and confidence building measures. A framework for developing cooperative monitoring options is proposed and several possibilities for relating bilateral and regional monitoring systems to international monitoring systems are discussed. Three bilateral or regional agreements are analyzed briefly to illustrate different possibilities. These examples illustrate that the relationship of regional or bilateral arms control or security agreements to international agreements depends on a number of factors: the overlap of provisions between regional and international agreements; the degree of interest in a regional agreement among the international community; efficiency in implementing the agreement; and numerous political considerations. Given the importance of regional security to the international community, regions should be encouraged to develop their own infrastructure for implementing regional arms control and other security agreements. A regional infrastructure need not preclude participation in an international regime. On the contrary, establishing regional institutions for arms control and nonproliferation could result in more proactive participation of regional parties in developing solutions for regional and international problems, thereby strengthening existing and future international regimes. Possible first steps for strengthening regional infrastructures are identified and potential technical requirements are discussed.

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Synthesis and regeneration of lead (IV) acetate

Boyle, Timothy

Lead acetate [Pb(O{sub 2}CMe){sub 4}] was easily synthesized from a warm solution of Pb{sub 3}O{sub 4}, HO{sub 2}CMe and O(OCMe){sub 2} following literature preparations when the appropriate measures to minimize water contamination were followed. Furthermore, Pb(O{sub 2}CMe){sub 4} which has been decomposed (evidenced by the appearance of a purple color due to oxidation) can be regenerated using a similar preparatory route. Introduction of Pb(O{sub 2}CMe){sub 4} from the two routes outlined above into the IMO process for production of PZT thin films gave films with comparable ferroelectric properties to commercially available Pb(O{sub 2}CMe){sub 4} precursors. However, the freshly synthesized material yields PZT films with better properties compared to the recycled material.

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Salt-saturated concrete strength and permeability

Pfeifle, T.W.; Hansen, F.D.; Knowles, M.K.

Laboratory-scale experiments applicable to the use of salt-saturated concrete as a seal material for a transuranic waste repository have been completed. Nitrogen gas permeability measurements were made using a flexible-wall permeameter, a confining pressure of 1 MPa, and gas pressure gradients ranging from 0.3 MPa to 0.75 MPa. Results show that salt-saturated concrete has very low intrinsic permeability with values ranging from 9.4 {times} 10{sup {minus}22} m{sup 2} to 9.7 {times} 10{sup {minus}17} m{sup 2}. Strength and deformation characteristics were investigated under conditions of triaxial compression with confining pressures ranging from 0 to 15 MPa using either axial strain-rate or axial stress-rate control and show that the failure strength of concrete increases with confining pressure which can be adequately described through pressure-sensitive failure criteria. Axial, radial, and volumetric strains were also measured during each test and these data were used to determine elastic properties. Experimental results are applicable in the design and analysis of scale-related functions and apply to other concrete structures subjected to compressive loadings such as dams and prestressed structural members.

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Fast DNA sequence alignment using optical computing

Yee, Mark L.

Alignment of DNA sequences is a necessary step prior to comparison of sequence data. High-speed alignment is needed due to the large size of DNA databases. Correlation, a standard pattern recognition technique, can be used to perform alignment. Correlation can be performed rapidly using optical techniques. Thus, optical correlation offers the potential for high-speed processing of DNA sequence data. This report describes research efforts to apply one-dimensional acousto-optical correlation methods to the problem of DNA sequence alignment. Experimental results are presented.

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Multi-robots to micro-surgery: Selected robotic applications at Sandia National Laboratories

Bennett, Phil C.

The Intelligent Systems and Robotics Center (ISRC) at Sandia National Laboratories is a multi-program organization, pursuing research, development and applications in a wide range of field. Activities range from large-scale applications such as nuclear facility dismantlement for the US Department of Energy (DOE), to aircraft inspection and refurbishment, to automated script and program generation for robotic manufacturing and assembly, to miniature robotic devices and sensors for remote sensing and micro-surgery. This paper describes six activities in the large and small scale that are underway and either nearing technology transfer stage or seeking industrial partners to continue application development. The topics of the applications include multiple arm coordination for intuitively maneuvering large, ungainly work pieces; simulation, analysis and graphical training capability for CP-5 research reactor dismantlement; miniature robots with volumes of 16 cubic centimeters and less developed for inspection and sensor deployment; and biomedical sensors to enhance automated prosthetic device production and fill laparoscopic surgery information gap.

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Development and assessment of the CONTAIN hybrid flow solver

Murata, Kenneth K.

A new gravitational head formulation for the treatment of stratified conditions has been developed for CONTAIN 1.2, a control volume code used primarily for the analyses of postulated accidents in nuclear power plants. The new CONTAIN formulation of gravitational heads, termed the hybrid formulation, is described. This method of calculating stratified conditions is compared with the old, average-density formulation used in code versions prior to CONTAIN 1.2. Both formulations are assessed in this report with experimental data from three large-scale experiments in which stratified conditions formed by injection of a buoyant gas were observed. In general, the hybrid formulation gives a substantially higher degree of stratification than the old formulation. For stable, fully developed stratifications, the hybrid formulation also gives much better agreement with the measured degree of stratification than the old formulation. In addition, the predicted degree of stratification is robust and not sensitive to nodalization, provided a set of nodalization guidelines are followed. However, for stratification behavior controlled by special physics not modeled in CONTAIN, such as momentum convection, plume entrainment, or bulk molecular diffusion, one should not expect good agreement with experiment unless special measures to accommodate the missing physics are taken.

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An optimized fiber delivery system for Q-switched, Nd:YAG lasers

Setchell, Robert E.

Interest in the transmission of high intensities through optical fibers is being motivated by an increasing number of applications. Using different laser types and fiber materials, various studies are encountering transmission limitations due to laser-induced damage processes. The authors have found that fiber transmission is often limited by a plasma-forming breakdown occurring at the fiber entrance face. System attributes that will affect breakdown and damage thresholds include laser characteristics, the design and alignment of laser-to-fiber injection optics, and fiber end-face preparation. In the present work the authors have combined insights gained in past studies in order to establish what thresholds can be achieved if all system attributes can be optimized to some degree. The multimode laser utilized past modifications that produced a relatively smooth, quasi-Gaussian profile. The laser-to-fiber injection system achieved a relatively low value for the ratio of peak-to-average fluences at the fiber entrance face, incorporated a mode scrambler to generate a broad mode power distribution within the initial segment of the fiber path, and had improved fixturing to insure that the fiber axis was collinear with the incident laser beam. Fiber end faces were prepared by a careful mechanical polishing schedule followed by surface conditioning using a CO{sub 2} laser. In combination, these factors resulted in higher thresholds for breakdown and damage than they had achieved previously in studies that utilized a simple lens injection system.

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Ion sources for sealed neutron tubes

Burns, E.J.T.

Fast and thermal neutron activation analysis with sealed neutron generators has been used to detect oil (oil logging), hazardous waste, fissile material, explosives, and contraband (drugs). Sealed neutron generators, used in the above applications, must be small and portable, have good electrical efficiency and long life. The ion sources used in the sealed neutron tubes require high gas utilization efficiencies or low pressure operation with high ionization efficiencies. In this paper, the authors compare a number of gas ion sources that can be used in sealed neutron tubes. The characteristics of the most popular ion source, the axial Penning discharge will be discussed as part of the zetatron neutron generator. Other sources to be discussed include the SAMIS source and RF ion source.

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Computational fire modeling for aircraft fire research

Nicolette, Vernon F.

This report summarizes work performed by Sandia National Laboratories for the Federal Aviation Administration. The technical issues involved in fire modeling for aircraft fire research are identified, as well as computational fire tools for addressing those issues, and the research which is needed to advance those tools in order to address long-range needs. Fire field models are briefly reviewed, and the VULCAN model is selected for further evaluation. Calculations are performed with VULCAN to demonstrate its applicability to aircraft fire problems, and also to gain insight into the complex problem of fires involving aircraft. Simulations are conducted to investigate the influence of fire on an aircraft in a cross-wind. The interaction of the fuselage, wind, fire, and ground plane is investigated. Calculations are also performed utilizing a large eddy simulation (LES) capability to describe the large- scale turbulence instead of the more common k-{epsilon} turbulence model. Additional simulations are performed to investigate the static pressure and velocity distributions around a fuselage in a cross-wind, with and without fire. The results of these simulations provide qualitative insight into the complex interaction of a fuselage, fire, wind, and ground plane. Reasonable quantitative agreement is obtained in the few cases for which data or other modeling results exist Finally, VULCAN is used to quantify the impact of simplifying assumptions inherent in a risk assessment compatible fire model developed for open pool fire environments. The assumptions are seen to be of minor importance for the particular problem analyzed. This work demonstrates the utility of using a fire field model for assessing the limitations of simplified fire models. In conclusion, the application of computational fire modeling tools herein provides both qualitative and quantitative insights into the complex problem of aircraft in fires.

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The structure of TAM5: A silicotitanate molecular sieve for radwaste clean-up

Nenoff, Tina M.

A sodium silicotitanate (TAM5) of ideal composition Na{sub 3}Si{sub 2}Ti{sub 4}O{sub 13}(OH) {center_dot} 4H{sub 2}O (jointly developed by Sandia and Texas A and M) is synthesized hydrothermally in highly alkaline media. The material selectively removes cesium cations from solutions containing up to 5.7 M Na{sup +} and for a pH range of less than 1 to greater than 14. The crystal structure of TAM5 has been refined from X-ray powder data by Rietveld refinement, using the mineral Sitinakite as a model. The compound is tetragonal. The titanium and niobium atoms occur in clusters of four and are octahedrally coordinated by oxygen atoms. These clusters are held together by tetrahedral linkages to the silicon atoms. The framework forms a three dimensional structure that has potential accessibility to the three cation sites (two in the cages, one in the framework wall) from three directions. However, the sodium cation that sits in the wall is tightly held due to octahedral bonding from a combination of framework and water oxygen atoms. Furthermore, that site is too small for cations greater in size than sodium. In a concurrent report, extensive monovalent and divalent cation exchange studies are presented, with analyses including structure refinement, elemental analyses and thermal stability of both powder and UOP engineered forms.

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Prediction of dissolved actinide concentrations in concentrated electrolyte solutions: a conceptual model and model results for the Waste Isolation Pilot Plant (WIPP)

Novak, C.F.

The conceptual model for WIPP dissolved concentrations is a description of the complex natural and artificial chemical conditions expected to influence dissolved actinide concentrations in the repository. By a set of physical and chemical assumptions regarding chemical kinetics, sorption substrates, and waste-brine interactions, the system was simplified to be amenable to mathematical description. The analysis indicated that an equilibrium thermodynamic model for describing actinide solubilities in brines would be tractable and scientifically supportable. This paper summarizes the conceptualization and modeling approach and the computational results as used in the WIPP application for certification of compliance with relevant regulations for nuclear waste repositories. The WIPP site contains complex natural brines ranging from sea water to 10x more concentrated than sea water. Data bases for predicting solubility of Am(III) (as well as Pu(III) and Nd(III)), Th(IV), and Np(V) in these brines under potential repository conditions have been developed, focusing on chemical interactions with Na, K, Mg, Cl, SO{sub 4}, and CO{sub 3} ions, and the organic acid anions acetate, citrate, EDTA, and oxalate. The laboratory and modeling effort augmented the Harvie et al. parameterization of the Pitzer activity coefficient model so that it could be applied to the actinides and oxidation states important to the WIPP system.

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Easy come-easy go divisible cash

Frankel, Y.

Recently, there has been an interest in making electronic cash protocols more practical for electronic commerce by developing e-cash which is divisible (e.g., a coin which can be spent incrementally but total purchases are limited to the monetary value of the coin). In Crypto`95, T. Okamoto presented the first practical divisible, untraceable, off-line e-cash scheme, which requires only O(log N) computations for each of the withdrawal, payment and deposit procedures, where N = (total coin value)/(smallest divisible unit). However, Okamoto`s set-up procedure is quite inefficient (on the order of 4,000 multi-exponentiations and depending on the size of the RSA modulus). The authors formalize the notion of range-bounded commitment, originally used in Okamoto`s account establishment protocol, and present a very efficient instantiation which allows one to construct the first truly efficient divisible e-cash system. The scheme only requires the equivalent of one (1) exponentiation for set-up, less than 2 exponentiations for withdrawal and around 20 for payment, while the size of the coin remains about 300 Bytes. Hence, the withdrawal protocol is 3 orders of magnitude faster than Okamoto`s, while the rest of the system remains equally efficient, allowing for implementation in smart-cards. Similar to Okamoto`s, the scheme is based on proofs whose cryptographic security assumptions are theoretically clarified.

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System design and implementation for the glass panel alignment and sealing tool for flat panel displays

Jordan, J.D.

This report describes the system designed and fabricated for the National Center for Advanced Information Component Manufacturing (NCAICM) project number 9322-135. The system is a device capable of simultaneously aligning two glass plates and sealing them together with glass frit. The process development was divided into two phases. The first was thermal sealing in an ambient environment. The second was sealing a controlled environment in a vacuum.

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Methodologies for defining quality of life

Engi, Dennis

Quality of life as a concept has been used in many ways in the public policy arena. It can be used in summative evaluations to assess the impacts of policies or programs. Alternatively, it can be applied to formative evaluations to provide input to the formation of new policies. In short, it provides the context for the understanding needed to evaluate the results of choices that have been made in the public policy arena, or the potential of choices yet to be made. In either case, the public policy question revolves around the positive or negative impact the choice will have on quality of life, and the magnitude of that impact. This discussion will develop a conceptual framework that proposes that an assessment of quality of life is based on a comparison of expectations with experience. The framework defines four basic components from which these expectations arise: natural conditions, social conditions, the body, and the mind. Each one of these components is generally described, and associated with a general policy or rhetorical category which gives it its policy vocabulary--environmental quality, economic well-being, human health, and self-fulfillment.

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Damage estimates from long-term structural analysis of a wind turbine in a US wind farm environment

Sutherland, Herbert J.

Time-domain simulations of the loads on wind energy conversion systems have been hampered in the past by the relatively long computational times for nonlinear structural analysis codes. However, recent advances in both the level of sophistication and computational efficiency of available computer hardware and the codes themselves now permit long-term simulations to be conducted in reasonable times. Thus, these codes provide a unique capability to evaluate the spectral content of the fatigue loads on a turbine. To demonstrate these capabilities, a Micon 65/13 turbine is analyzed using the YawDyn and the ADAMS dynamic analysis codes. The SNLWIND-3D simulator and measured boundary conditions are used to simulate the inflow environment that can be expected during a single, 24-hour period by a turbine residing in Row 41 of a wind farm located in San Gorgonio Pass, California. Also, long-term simulations (up to 8 hours of simulated time) with constant average inflow velocities are used to better define the characteristics of the fatigue load on the turbine. Damage calculations, using the LIFE2 fatigue analysis code and the MSU/DOE fatigue data base for composite materials, are then used to determine minimum simulation times for consistent estimates of service lifetimes.

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Laboratory and field scale demonstration of reactive barrier systems

Dwyer, Brian P.

In an effort to devise a cost efficient technology for remediation of uranium contaminated groundwater, the Department of Energy`s Uranium Mill Tailings Remedial Action (DOE-UMTRA) Program through Sandia National Laboratories (SNL) fabricated a pilot scale research project utilizing reactive subsurface barriers at an UMTRA site in Durango, Colorado. A reactive subsurface barrier is produced by placing a reactant material (in this experiment, metallic iron) in the flow path of the contaminated groundwater. The reactive media then removes and/or transforms the contaminant(s) to regulatory acceptable levels. Experimental design and results are discussed with regard to other potential applications of reactive barrier remediation strategies at other sites with contaminated groundwater problems.

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Anomalous Hall effect in Gd-doped La{sub 2/3}Ca{sub 1/3}MnO{sub 3}

Emin, David J.

Ceramic samples of (La{sub 1-x}Gd{sub x}){sub 2/3}Ca{sub 1/3}MnO{sub 3} were prepared and used as targets to grow films onto LaAlO{sub 3} substrates by pulsed laser deposition. Electrical resistance and thermopower, measured vs temperature and applied magnetic fields indicate transport dominated by positive small polarons in the high temperature paramagnetic state. The Hall effect was measured in 0.5 {mu}m thick films of composition x=0 and x=0.25. No evidence for extraordinary hall effect was found in the paramagnetic regime. Instead, the magnitude of the Hall coefficient decreases exponentially with temperature. This behavior and its anomalous negative sign are interpreted to result from face-diagonal hopping of small polarons in the Mn sublattice.

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Future{at}Labs.Prosperity Game{trademark}

Beck, David F.

Prosperity Games{trademark} are an outgrowth and adaptation of move/countermove and seminar War Games, Prosperity Games{trademark} are simulations that explore complex issues in a variety of areas including economics, politics, sociology, environment, education, and research. These issues can be examined from a variety of perspectives ranging from global, macroeconomic and geopolitical viewpoint down to the details of customer/supplier/market interactions specific industries. All Prosperity Games{trademark} are unique in that both the game format and the player contributions vary from game to game. This report documents the Future{at}Labs.Prosperity Game{trademark} conducted under the sponsorship of the Industry Advisory Boards of the national labs, the national labs, Lockheed Martin Corporation, and the University of California. Players were drawn from all stakeholders involved including government, industry, labs, and academia. The primary objectives of this game were to: (1) explore ways to optimize the role of the multidisciplinary labs in serving national missions and needs; (2) explore ways to increase collaboration and partnerships among government, laboratories, universities, and industry; and (3) create a network of partnership champions to promote findings and policy options. The deliberations and recommendations of these players provided valuable insights as to the views of this diverse group of decision makers concerning the future of the labs.

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Route characterization for risk assessment of highway transport of nuclear materials

Sagartz, M.J.

A procedure is presented for developing the route characterization used to assess the risk for the highway transport of nuclear materials. The types of data needed for a risk assessment and the sources used to provide that data are discussed. An outline of the methods used to get from data source to the route characterization used for risk analysis is presented. The models and methodologies developed for this study were programmed into the ADROIT computer code, which ha become one of Sandia`s principal analysis tools for doing risk assessments for the highway transportation risk for nuclear materials.

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Radioactive air effluent emission measurements at two research reactors

Mcdonald, M.J.

Sandia National Laboratories operates two reactors which fall under US Environmental Protection Agency regulations for emission of radionuclides to the ambient air. These reactors are: (1) the Annular Core Research Reactor, a pool-type reactor and (2) the Sandia Pulsed Reactor III, a Godiva-type reactor. The annual radioactive air emissions from these two reactors had been estimated based on engineering calculations and used in the facility Safety Analysis Report. The calculated release rates had never been confirmed through measurements. The purpose of this work was to obtain confirmatory radioactive gas and aerosol concentration measurements for radionuclides in exhaust stacks of these reactors during normal operation; however, the measured production rate of argon-41 was significantly different from the engineering calculations for both reactors. The resolution of this difference is discussed.

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Mechanistic studies of SC-1 particle removal and post piranha rinsing

Resnick, Paul

SC-1 (NH{sub 4}OH/H{sub 2}O{sub 2}/H{sub 2}O) and piranha (H{sub 2}SO{sub 4}/H{sub 2}O{sub 2}) cleans have been used for many years to remove particulate and organic contamination. Although the SC-1 clean, often used with applied megasonic power, is known to be highly effective for particle removal, the removal mechanism remains unclear. For the removal of heavy organic contamination, the piranha cleaning chemistry is an effective process; however, post-piranha residue adheres tenaciously to the wafer surface, causing a particle growth phenomenon. A series of experiments have been performed to help understand the interaction of these processes with silicon surfaces.

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Comparison of Si{sub 3}N{sub 4} deposition techniques for use in particle removal experiments

Clews, Peggy J.

As device critical dimensions decrease in size it becomes increasingly important to remove particles from the wafer surface so they do not impact device yield. A typical method to evaluate various cleaning techniques is to deposit silicon nitride (Si{sub 3}N{sub 4}) particles on the wafer surface and then process the wafers through the desired cleaning processes. The National Technology Roadmap for Semiconductors specifies the standard challenge for percent particle removal from silicon wafers to be based on > 1,000 nitride particles added to the wafers. However, it does not specify the deposition technique to be used for the Si{sub 3}N{sub 4} particles. Two common methods used to deposit Si{sub 3}N{sub 4} on silicon test wafers are the aerosol deposition technique or the wet dip deposition technique. A comparison between these two Si{sub 3}N{sub 4} deposition methods to determine if these methods create an equivalent particle removal challenge has not been reported in the literature to date. In this paper the authors compare these two deposition techniques. They found advantages and disadvantages for both deposition methods. The preferred method for particle deposition is dependent on the specific application.

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Assessment of circuit board surface finishes for electronic assembly with lead-free solders

Vianco, Paul T.

The suitability of various metallic printed wiring board surface finishes was assessed for new technology applications that incorporate assembly with Lead-free solders. The manufacture of a lead-free product necessitates elimination of lead (Pb) from the solder, the circuit board as well as the component lead termination. It is critical however for the selected interconnect Pb-free solder and the corresponding printed wiring board (PWB) and component lead finishes to be mutually compatible. Baseline compatibility of select Pb-free solders with Pb containing PWB surface finish and components was assessed. This was followed by examining the compatibility of the commercially available CASTIN{trademark} (SnAgCuSb) Pb-free solder with a series of PWB metallic finishes: Ni/Au, Ni/Pd, and Pd/Cu. The compatibility was assessed with respect to assembly performance, solder joint integrity and long term attachment reliability. Solder joint integrity and mechanical behavior of representative 50 mil pitch 20I/O SOICs was determined before and after thermal stress. Mechanical pull test studies demonstrated that the strength of SnAgCuSb solder interconnections is notably greater than that of SnPb interconnections.

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The electrochemical behavior of Ti and Ti alloys subjected to pulsed ion beam surface treatment

Sorensen, N.R.; Buchheit, R.G.; Renk, T.R.; Grabowski, K.S.; Thompson, M.O.

Pulsed high-energy ion beams have been used to thermally treat Ti and Ti alloy surfaces to alter the electrochemical response. Two regimes have been explored: rapid melt and resolidification, and ion beam mixing. In this report, results from initial studies are presented exploring effect of these two regimes on the electrochemical behavior of Ti and Ti alloys.

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Characterization of the embedded micromechanical device approach to the monolithic integration of MEMS with CMOS

Smith, J.H.; Montague, S.; Sniegowski, J.J.; Murray, J.R.

Recently, a great deal of interest has developed in manufacturing processes that allow the monolithic integration of MicroElectroMechanical Systems (MEMS) with driving, controlling, and signal processing electronics. This integration promises to improve the performance of micromechanical devices as well as lower the cost of manufacturing, packaging, and instrumenting these devices by combining the micromechanical devices with a electronic devices in the same manufacturing and packaging process. In order to maintain modularity and overcome some of the manufacturing challenges of the CMOS-first approach to integration, we have developed a MEMS-first process. This process places the micromechanical devices in a shallow trench, planarizes the wafer, and seals the micromechanical devices in the trench. Then, a high-temperature anneal is performed after the devices are embedded in the trench prior to microelectronics processing. This anneal stress-relieves the micromechanical polysilicon and ensures that the subsequent thermal processing associated with fabrication of the microelectronic processing does not adversely affect the mechanical properties of the polysilicon structures. These wafers with the completed, planarized micromechanical devices are then used as starting material for conventional CMOS processes. The circuit yield for the process has exceeded 98%. A description of the integration technology, the refinements to the technology, and wafer-scale parametric measurements of device characteristics is presented. Additionally, the performance of integrated sensing devices built using this technology is presented.

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Crack detection on HU-25 Guardian aircraft

Moore, David G.

An ultrasonic inspection method was developed at FAA`s Airworthiness Assurance NDI Validation Center (AANC) to easily and rapidly detect hidden fatigue cracks in the copilot vertical windshield post on USCG (Coast Guard) HU-25 `Guardian` aircraft. The inspection procedure locates hidden cracks as small as 3.2 mm emanating from internal fastener holes and determines their length. A test procedure was developed and a baseline assessment of the USCG fleet conducted. Inspection results on 41 aircraft revealed good correlation with results made during subsequent structural disassembly and visual inspection of selected aircraft.

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Status of the U.S. Department of Energy (DOE) Government to Government Program in Russia

Olascoaga, M.T.

The US-Russian Government-to-Government Program of Cooperation on Nuclear Material Protection, Control, and Accounting (MPC&A) evolved from the Nunn-Lugar Cooperative Threat Reduction Program. In 1995, the US Department of Energy (DOE) assumed responsibility as the executive agent for implementation of the Government-to-Government MPC&A Program, followed by the programmatic responsibility for funding. The Russian Program initially emphasized limited exchanges, demonstrations, and upgrades at low-enriched uranium (LEU) fuel fabrication facility at Elektrostal in 1994. The program has expanded to include upgrades at nuclear facilities across Russia, development of the Russian Methodological Training Center (RMTC) in Obninsk; and cooperation with Gosatomnadzor, the Russian Federal Nuclear Radiation and Safety Authority. This paper describes the overall program including program objectives, approach, and US-Russian participation, with an emphasis on DOE-GAN cooperation.

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Parametric study on the solderability of etched PWB copper

Hosking, F.M.; Stevenson, J.O.; Hernandez, C.L.

The rapid advancement of interconnect technology has resulted in a more engineered approach to designing and fabricating printed wiring board (PWB) surface features. Recent research at Sandia National Laboratories has demonstrated the importance of surface roughness on solder flow. This paper describes how chemical etching was used to enhance the solderability of surfaces that were normally difficult to wet. The effects of circuit geometry, etch concentration, and etching time on solder flow are discussed. Surface roughness and solder flow data are presented. The results clearly demonstrate the importance of surface roughness on the solderability of fine PWB surface mount features.

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Particle-surface interactions in chemical mechanical polishing

Dugger, Michael T.

Material removal in chemical mechanical polishing (CMP) occurs by a pressure accentuated chemical attack of the surface. The polishing slurry typically consists of abrasive particles and reactive chemicals that may or may not include an oxidant. Post-CMP cleaning processes must remove both the ionic contaminants and any remaining polishing slurry particles. Central to the effectiveness of a clean is the use of conditions that will minimize the binding force between the residual particles and the wafer surface. The morphology and composition of the particle, the surface from which it must be removed, and the environment surrounding the wafer will determine the magnitude of forces that hold a particle to the wafer surface. At the Sandia/SEMATECH Center for Contamination Free Manufacturing, two techniques--atomic force microscopy (AFM) and electrokinetic deposition--are being used to explore these interactions for CMP of both oxide and tungsten surfaces. A basic understanding of particle-surface interaction forces and how they are affected by the chemical/physical environment of the particle and surface is the objective of this task. Modification of the binding forces between particles and wafer surfaces may be used to maximize post-CMP cleaning effectiveness.

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The Vibration Virtual Environment for Test Optimization (VETO)

Klenke, Scott E.

A new test simulation tool is being developed to support vibration test design and to evaluate the overall testability of a component or system. This environment, the Vibration Virtual Environment for Test Optimization (VETO), is utilized to optimally place vibration control and response transducers and to investigate the selection of test parameters needed in the design and performance of a vibration experiment. The engineer can investigate the effects of different control parameters prior to performing an actual vibration test. Additionally, new and existing fixture designs can be evaluated through the development of analytical or experimental models that can be integrated into the simulation environment. This test design environment also provides the engineer with the ability to combine analytically or experimentally derived models of the vibration test hardware, instrumentation and equipment into a simulation model that represents the vibration testing capability. Hardware-in-the-loop simulations can be conducted using this model to examine multiple facets of the test design. This paper presents a new tool that will assist test engineers in maximizing the value of vibration tests through the use of hardware-in-the-loop simulations.

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Long-term aging and loss-of-coolant accident (LOCA) testing of electrical cables

Nelson, Curtis F.

Experiments were performed to assess the aging degradation and loss-of-coolant accident (LOCA) behavior of electrical cables subjected to long-term aging exposures. Four different cable types were tested in both the U.S. and France: (1) U.S. 2 conductor with ethylene propylene rubber (EPR) insulation and a Hypalon jacket. (2) U.S. 3 conductor with cross-linked polyethylene (XLPE) insulation and a Hypalon jacket. (3) French 3 conductor with EPR insulation and a Hypalon jacket. (4) French coaxial with polyethylene (PE) insulation and a PE jacket. The data represent up to 5 years of simultaneous aging where the cables were exposed to identical aging radiation doses at either 40{degrees}C or 70{degrees}C; however, the dose rate used for the aging irradiation was varied over a wide range (2-100 Gy/hr). Aging was followed by exposure to simulated French LOCA conditions. Several mechanical, electrical, and physical-chemical condition monitoring techniques were used to investigate the degradation behavior of the cables. All the cables, except for the French PE cable, performed acceptably during the aging and LOCA simulations. In general, cable degradation at a given dose was highest for the lowest dose rate, and the amount of degradation decreased as the dose rate was increased.

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The application of cooperative monitoring techniques to a conceptual limited deployment zone in the Korean peninsula

Vannoni, Michael

The Korean peninsula is the site of a tense military confrontation. Relations between North and South Korea improved during the early 1990`s but the process is now frozen. Confidence building measures, particularly military ones, that address the security needs of both countries would decrease the danger of conflict and help create an environment for direct negotiations. The Korean Institute for Defense Analysis (KIDA) analyzed current security conditions and options. Their scenario includes a conceptual agreement to establish Limited Force Deployment Zones (LDZ) along the current demilitarized zone (DMZ) to increase mutual security. The Cooperative Monitoring Center (CMC) of Sandia National Laboratories, in collaboration with KIDA, developed a strategy, with examples, for cooperatively monitoring the agreement. A cooperative monitoring regime requires consideration of the agreement`s terms, the geographic, logistic, military, and political factors of the Korean environment, and the capability of technology to monitor the terms. This paper assesses the applicability of cooperative monitoring to Korea, describes the monitoring strategy for the Korean enhanced DMZ scenario, and describes the applicable technologies and procedures.

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Growth of vertical-cavity surface emitting lasers by metalorganic vapor phase epitaxy

Hou, H.Q.; Hammons, B.E.; Crawford, M.H.; Lear, K.L.; Choquette, K.D.

We present growth and characterization of visible and near-infrared vertical-cavity surface emitting lasers (VCSELs) grown by metalorganic vapor phase epitaxy. Discussions on the growth issue of VCSEL materials include growth rate and composition control using an {ital in}{ital situ} normal-incidence reflectometer, comprehensive p- and n-type doping study in AlGaAs by CCl{sub 4} and Si{sub 2}H{sub 6} over the entire composition range, and optimization of ultra-high material uniformity. We also demonstrate our recent achievements of all-AlGaAs VCSELs which include the first room-temperature continuous- wave demonstration of 700-nm red VCSELs and high-efficiency and low- threshold voltage 850-nm VCSELs.

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The DOE/DOD Environmental Data Bank

C'De Baca, John E.

The DOE/DOD Environmental Data Bank was established in 1959 as a central location for storing weapons and equipment environments information from a variety of DOE, DoD, and industrial sources and continues to be maintained by Sandia National Laboratories. The Data Bank contains approximately 3,000 documents regarding normal and abnormal environments that describe handling, storage, transportation, use, and general phases, which occur during the life of a system. This paper describes the DOE/DOD Environmental Data Bank system, its structure, data sources, usage, and progress in converting it from a microfilm database to an electronic database.

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Statistical validation of physical system models

Paez, Thomas L.

It is common practice in applied mechanics to develop mathematical models for mechanical system behavior. Frequently, the actual physical system being modeled is also available for testing, and sometimes the test data are used to help identify the parameters of the mathematical model. However, no general-purpose technique exists for formally, statistically judging the quality of a model. This paper suggests a formal statistical procedure for the validation of mathematical models of physical systems when data taken during operation of the physical system are available. The statistical validation procedure is based on the bootstrap, and it seeks to build a framework where a statistical test of hypothesis can be run to determine whether or not a mathematical model is an acceptable model of a physical system with regard to user-specified measures of system behavior. The approach to model validation developed in this study uses experimental data to estimate the marginal and joint confidence intervals of statistics of interest of the physical system. These same measures of behavior are estimated for the mathematical model. The statistics of interest from the mathematical model are located relative to the confidence intervals for the statistics obtained from the experimental data. These relative locations are used to judge the accuracy of the mathematical model. A numerical example is presented to demonstrate the application of the technique.

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A comparison of methods for evaluating structure during ship collisions

Ammerman, Douglas

A comparison is provided of the results of various methods for evaluating structure during a ship-to-ship collision. The baseline vessel utilized in the analyses is a 67.4 meter in length displacement hull struck by an identical vessel traveling at speeds ranging from 10 to 30 knots. The structural response of the struck vessel and motion of both the struck and striking vessels are assessed by finite element analysis. These same results are then compared to predictions utilizing the {open_quotes}Tanker Structural Analysis for Minor Collisions{close_quotes} (TSAMC) Method, the Minorsky Method, the Haywood Collision Process, and comparison to full-scale tests. Consideration is given to the nature of structural deformation, absorbed energy, penetration, rigid body motion, and virtual mass affecting the hydrodynamic response. Insights are provided with regard to the calibration of the finite element model which was achievable through utilizing the more empirical analyses and the extent to which the finite element analysis is able to simulate the entire collision event. 7 refs., 8 figs., 4 tabs.

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DYNASTORE operating cost analysis of energy storage for a midwest utility

Jungst, Rudolph G.

The objective of this project was to determine the savings in utility operating costs that could be obtained by installing a Battery Energy Storage System (BESS). The target utility was Kansas City Power and Light (KCPL), a typical Midwestern utility with a mix of generating plants and many interconnections. The following applications of battery energy storage were modeled using an Electric Power Research Institute (EPRI) developed and supported program called DYNASTORE: (1) Spinning Reserve Only (2) Load Leveling with Spinning Reserve (3) Load Leveling Only (4) Frequency Control DYNASTORE commits energy storage units along with generating units and calculates operating costs with and without energy storage, so that savings can be estimated. Typical weeks of hourly load data are used to make up a yearly load profile. For this study, the BESS power ranged from ``small`` to 300 MW (greater than the spinning reserve requirement). BESS storage time ranged from 1 to 8 hours duration (to cover the time-width of most peaks). Savings in operating costs were calculated for each of many sizes of MW capacity and duration. Graphs were plotted to enable the reader to readily see what size of BESS affords the greatest savings in operating costs.

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Summary of events and geotechnical factors leading to decommissioning of the Strategic Petroleum Reserve (SPR) facility at Weeks Island, Louisiana

Neal, J.T.

A sinkhole discovered over the edge of the Strategic Petroleum Reserve storage facility at Weeks Island salt dome, Louisiana, led to decommissioning the site during 1995--1998, following extensive diagnostics in 1994. The sinkhole resulted from mine-induced fractures in the salt which took may years to develop, eventually causing fresh water to leak into the storage chamber and dissolve the overlying salt, thus causing overburden collapse into the void. Prior to initiating the oil removal, a freeze wall was constructed at depth around the sinkhole in 1995 to prevent water inflow; a freeze plug will remain in place until the mine is backfilled with brine in 1997--8, and stability is reached. Residual oil will be removed; environmental monitoring has been initiated and will continue until the facility is completely plugged and abandoned, and environmental surety is achieved.

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Repetitive high energy pulsed power technology development for industrial applications

Schneider, Larry X.

The technology base for Repetitive High Energy Pulsed Power (RHEPP) was originally developed to support defense program applications. As RHEPP technology matures, its potential for use in commercial applications can be explored based on inherent strengths of high average power, high dose rate, cost efficient scaling with power, and potential for long life performance. The 300 kW, 2 MeV RHEPP II accelerator is now in operation as a designated DOE User Facility, exploring applications where high dose-rate (> 10{sup 8} Gy/s) may be advantageous, or very high average power is needed to meet throughput requirements. Material surface and bulk property modification, food safety, and large-scale timber disinfestation are applications presently under development. Work is also in progress to generate the reliability database required for the design of 2nd generation systems.

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Self-aligned selective-emitter plasma-etchback and passivation process for screen-printed silicon solar cells

Ruby, Douglas S.

We studied whether plasma-etching techniques can use screen printed gridlines as etch masks to form self-aligned, patterned-emitter profiles on multicrystalline silicon (mc-Si) cells from Solarex Our initial results found a statistically significant improvement of about half an absolute percentage point m cell efficiency when the self-aligned emitter etchback was combined with a PECVD-nitride surface passivation treatment. Some additional improvement in bulk diffusion length was observed when a hydrogen passivation treatment was used in the process. We attempted to gain additional benefits from using an extra-heavy phosphorus emitter diffusion before the gridlines were deposited. However, this required a lusher plasma-etch power to etch back the deeper diffusion and keep the etch time reasonably short. The higher power etch may have damaged the surface and the gridlines so that improvement due to surface passive and reduced gridline contact resistance was inhibited.

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Probabilistic logic modeling of network reliability for hybrid network architectures

Wyss, Gregory D.

Sandia National Laboratories has found that the reliability and failure modes of current-generation network technologies can be effectively modeled using fault tree-based probabilistic logic modeling (PLM) techniques. We have developed fault tree models that include various hierarchical networking technologies and classes of components interconnected in a wide variety of typical and atypical configurations. In this paper we discuss the types of results that can be obtained from PLMs and why these results are of great practical value to network designers and analysts. After providing some mathematical background, we describe the `plug-and-play` fault tree analysis methodology that we have developed for modeling connectivity and the provision of network services in several current- generation network architectures. Finally, we demonstrate the flexibility of the method by modeling the reliability of a hybrid example network that contains several interconnected ethernet, FDDI, and token ring segments. 11 refs., 3 figs., 1 tab.

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Development of a full-size divertor cassette prototype for ITER

Ulrickson, Michael A.

Production of a full-size divertor cassette involves eight major components. All of the components are mounted on the cassette body. Inner divertor channel components for the vertical target design are being provided by the Japan Home Team. Outer divertor channel components for the vertical target design are being provided by the European and United States Home Teams. Gas box liners are being provided by the Russian Home Team. The full-size components manufactured by the four parties will be shipped to the US Home Team for assembly into a full size divertor cassette. The techniques for assembly and maintenance of the cassette will be demonstrated during this process. The assembled cassette will be tested for proper flow distribution and proof of the filling and draining procedures. The testing will include vacuum leak tightness at full temperature and pressure, cyclic heating to 150 {degrees}C, verification of dimensional accuracy of the assembled components, and application of thermal gradients to measure dimensional stability. The development of the divertor for the International Thermonuclear Experimental Reactor (ITER) depends on successful R&D efforts on materials, joining, and plasma materials interactions. Results of the development program are presented. The scale-up of the processes developed in the basic research and development tasks is accomplished by producing and high-heat-flux testing medium and full-scale mock- ups. The design of the mock-ups is discussed.

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Selection of plasma facing materials for ITER

Ulrickson, Michael A.

ITER will be the first tokamak having long pulse operation using deuterium-tritium fuel. The problem of designing heat removal structures for steady state in a neutron environment is a major technical goal for the ITER Engineering Design Activity (EDA). The steady state heat flux specified for divertor components is 5 MW/m{sup 2} for normal operation with transients to 15 MW/m{sup 2} for up to 10 s. The selection of materials for plasma facing components is one of the major research activities. Three materials are being considered for the divertor; carbon fiber composites, beryllium, and tungsten. This paper discusses the relative advantages and disadvantages of these materials. The final section of plasma facing materials for the ITER divertor will not be made until the end of the EDA.

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Summary of ground motion prediction results for Nevada Test Site underground nuclear explosions related to the Yucca Mountain project

Walck, Marianne C.

This report summarizes available data on ground motions from underground nuclear explosions recorded on and near the Nevada Test Site, with emphasis on the ground motions recorded at stations on Yucca Mountain, the site of a potential high-level radioactive waste repository. Sandia National Laboratories, through the Weapons Test Seismic Investigations project, collected and analyzed ground motion data from NTS explosions over a 14-year period, from 1977 through 1990. By combining these data with available data from earlier, larger explosions, prediction equations for several ground motion parameters have been developed for the Test Site area for underground nuclear explosion sources. Also presented are available analyses of the relationship between surface and downhole motions and spectra and relevant crustal velocity structure information for Yucca Mountain derived from the explosion data. The data and associated analyses demonstrate that ground motions at Yucca Mountain from nuclear tests have been at levels lower than would be expected from moderate to large earthquakes in the region; thus nuclear explosions, while located relatively close, would not control seismic design criteria for the potential repository.

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Institutional plan. Fiscal Year 1997--2002

Garber, D.P.

Sandia National Laboratories is operated for the United States Department of Energy by a subsidiary of Lockheed Martin Corporation. National security programs and defense-related environmental programs for DOE comprise 65 percent of Sandia`s work. We are the DOE Defense Programs laboratory responsible for engineering development of all US nuclear weapons and for systems integration of the nuclear weapons with their delivery vehicles. Our responsibilities include design, certification, and assessment of the nonnuclear subsystems of nuclear weapons; safety, security, reliability, and use control; issues associated with production and dismantlement of nuclear weapons; surveillance and support of weapons in the stockpile; and work in nuclear intelligence, nonproliferation, and treaty verification technologies. Sandia is a multiprogram laboratory. Ten percent of our work supports DOE missions in energy science, research, and development. When appropriate, we also perform work for other government agencies, particularly the Department of Defense, in programs where unique competencies built our mission responsibilities can add value. This report discusses the activities of these responsibilities at the Sandia National Laboratories.

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Icarus: A 2D direct simulation Monte Carlo (DSMC) code for parallel computers. User`s manual - V.3.0

Bartel, Timothy J.

Icarus is a 2D Direct Simulation Monte Carlo (DSMC) code which has been optimized for the parallel computing environment. The code is based on the DSMC method of Bird and models from free-molecular to continuum flowfields in either cartesian (x, y) or axisymmetric (z, r) coordinates. Computational particles, representing a given number of molecules or atoms, are tracked as they have collisions with other particles or surfaces. Multiple species, internal energy modes (rotation and vibration), chemistry, and ion transport are modelled. A new trace species methodology for collisions and chemistry is used to obtain statistics for small species concentrations. Gas phase chemistry is modelled using steric factors derived from Arrhenius reaction rates. Surface chemistry is modelled with surface reaction probabilities. The electron number density is either a fixed external generated field or determined using a local charge neutrality assumption. Ion chemistry is modelled with electron impact chemistry rates and charge exchange reactions. Coulomb collision cross-sections are used instead of Variable Hard Sphere values for ion-ion interactions. The electrostatic fields can either be externally input or internally generated using a Langmuir-Tonks model. The Icarus software package includes the grid generation, parallel processor decomposition, postprocessing, and restart software. The commercial graphics package, Tecplot, is used for graphics display. The majority of the software packages are written in standard Fortran.

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An intelligent CNC machine control system architecture

Miller, D.J.; Loucks, C.S.

Intelligent, agile manufacturing relies on automated programming of digitally controlled processes. Currently, processes such as Computer Numerically Controlled (CNC) machining are difficult to automate because of highly restrictive controllers and poor software environments. It is also difficult to utilize sensors and process models for adaptive control, or to integrate machining processes with other tasks within a factory floor setting. As part of a Laboratory Directed Research and Development (LDRD) program, a CNC machine control system architecture based on object-oriented design and graphical programming has been developed to address some of these problems and to demonstrate automated agile machining applications using platform-independent software.

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Evaluation of the porous silicon capacitor as a moisture sensor for vacuum applications

Zavadil, Kevin R.

A growing demand exists for inexpensive and reliable sensors for moisture detection in reduced pressure processing environments. Sandia`s Porous Silicon Capacitor (PSC) sensor appears to be an ideal candidate for this application. This sensor is a solid state device that detects moisture through changes in dielectric constant with water adsorption. Standard microelectronic fabrication techniques are used in its production affording low cost production and ready integration into complex sensor and electronic arrays. This sensor has previously been investigated for moisture detection in fluid streams, however, little effort has been placed on its behavior in a vacuum environment. Sandia`s Sensors in Vacuum (SIV) test facility has been employed to evaluate the performance characteristics of this sensor in vacuum. In addition, a vacuum-based study allows for a more controlled environment in which the intrinsic lower limit for moisture detection and response times to moisture changes can be easily determined quantitatively. This report describes the performance characteristics of a series of sensors from a single production lot. Calibration of these sensors to moisture levels from part per billion to part per hundred concentrations has been performed. The concentration-dependent sensitivity of these sensors is documented. The response time and drift characteristics of these sensors are also discussed. The investigation of a preliminary method for increasing the recovery time of the sensor after moisture exposure is presented. The role of hydrocarbon contamination, a potential problem in some vacuum schemes, is also evaluated. Specific recommendations are made on how to implement this sensor for vacuum applications.

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High-efficiency one-sun photovoltaic module demonstration using solar-grade CZ silicon. Final report

Gee, James M.

This work was performed jointly by Sandia National Laboratories (Albuquerque, NM) and Siemens Solar Industries (Camarillo, CA) under a Cooperative Research and Development Agreement (CRADA 1248). The work covers the period May 1994 to March 1996. The purpose of the work was to explore the performance potential of commercial, photovoltaic-grade Czochralski (Cz) silicon, and to demonstrate this potential through fabrication of high-efficiency cells and a module. Fabrication of the module was omitted in order to pursue further development of advanced device structures. The work included investigation of response of the material to various fabrication processes, development of advanced cell structures using the commercial material, and investigation of the stability of Cz silicon solar cells. Some important achievements of this work include the following: post-diffusion oxidations were found to be a possible source of material contamination; bulk lifetimes around 75 pts were achieved; efficiencies of 17.6% and 15.7% were achieved for large-area cells using advanced cell structures (back-surface fields and emitter wrap-through); and preliminary investigations into photodegradation in Cz silicon solar cells found that oxygen thermal donors might be involved. Efficiencies around 20% should be possible with commercial, photovoltaic-grade silicon using properly optimized processes and device structures.

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Gemini: A hybrid plasma modelling capability for low pressure systems. User`s manual - V.1.7

Johannes, Justine E.

Gemini is the coupling of Icarus, the Sandia National Laboratories (SNL) 2-D Direct Simulation Monte Carlo (DMSC) code, to MPRES, the University of Houston 2-D finite element plasma reactor code. Thus, Gemini is not a stand alone code. The primary application of Gemini is the simulation of inductively coupled plasma reactors that operate at low pressures (< 10mtorr) where continuum formulations of the transport equations begin to break down. Plasma parameters (electron density (ne), electron temperature (Te) and electrostatic fields (Er and Ez)) are computed in MPRES and interpolated onto the DSMC grid. This allows transport of the neutrals and ions to be performed using the DSMC method while including electron impact reactions and field transport effects. A sample calculation including appropriate input files is given.

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Aspen: A microsimulation model of the economy

Pryor, Richard J.

This report presents, Aspen. Sandia National Laboratories is developing this new agent-based microeconomic simulation model of the U.S. economy. The model is notable because it allows a large number of individual economic agents to be modeled at a high level of detail and with a great degree of freedom. Some features of Aspen are (a) a sophisticated message-passing system that allows individual pairs of agents to communicate, (b) the use of genetic algorithms to simulate the learning of certain agents, and (c) a detailed financial sector that includes a banking system and a bond market. Results from runs of the model are also presented.

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Development of manufacturing capability for high-concentration, high-efficiency silicon solar cells

Gee, James M.

This report presents a summary of the major results from a program to develop a manufacturable, high-efficiency silicon concentrator solar cell and a cost-effective manufacturing facility. The program was jointly funded by the Electric Power Research Institute, Sandia National Laboratories through the Concentrator Initiative, and SunPower Corporation. The key achievements of the program include the demonstration of 26%-efficient silicon concentrator solar cells with design-point (20 W/cm{sup 2}) efficiencies over 25%. High-performance front-surface passivations; that were developed to achieve this result were verified to be absolutely stable against degradation by 475 days of field exposure at twice the design concentration. SunPower demonstrated pilot production of more than 1500 of these cells. This cell technology was also applied to pilot production to supply 7000 17.7-cm{sup 2} one-sun cells (3500 yielded wafers) that demonstrated exceptional quality control. The average efficiency of 21.3% for these cells approaches the peak efficiency ever demonstrated for a single small laboratory cell within 2% (absolute). Extensive cost models were developed through this program and calibrated by the pilot-production project. The production levels achieved indicate that SunPower could produce 7-10 MW of concentrator cells per year in the current facility based upon the cell performance demonstrated during the program.

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A comparison of spotlight synthetic aperture radar image formation techniques

Doren, Neall E.

Spotlight synthetic aperture radar images can be formed from the complex phase history data using two main techniques: (1) polar-to-cartesian interpolation followed by two-dimensional inverse Fourier transform (2DFFT), and (2) convolution backprojection (CBP). CBP has been widely used to reconstruct medical images in computer aided tomography, and only recently has been applied to form synthetic aperture radar imagery. It is alleged that CBP yields higher quality images because (1) all the Fourier data are used and (2) the polar formatted data is used directly to form a 2D Cartesian image and therefore 2D interpolation is not required. This report compares the quality of images formed by CBP and several modified versions of the 2DFFT method. We show from an image quality point of view that CBP is equivalent to first windowing the phase history data and then interpolating to an exscribed rectangle. From a mathematical perspective, we should expect this conclusion since the same Fourier data are used to form the SAR image. We next address the issue of parallel implementation of each algorithm. We dispute previous claims that CBP is more readily parallelizable than the 2DFFT method. Our conclusions are supported by comparing execution times between massively parallel implementations of both algorithms, showing that both experience similar decreases in computation time, but that CBP takes significantly longer to form an image.

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Benchmarking of finite element codes for radioactive material transportation packages

Ammerman, Douglas

The increased power of computers and computer codes makes the use of nonlinear dynamic finite element analyses attractive for use as a tool used in the design and certification of radioactive material transportation packages. For this analysis technique to be acceptable it must be demonstrated. The technique has the ability to accurately capture the response of the packages to accident environments required by the regulations. The best method of demonstrating this ability is via a series of benchmark analyses. In this paper three benchmark problems involving significant inelastic deformations will be discussed. One of the problems has been analyzed using many different finite element codes. The other two problems involve comparison of finite element calculations to the results form physical tests. The ability of the finite element method to accurately capture the response in these three problems indicates the method should be acceptable for radioactive material transportation package design and certification.

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Results of acoustic emission tests on Halon fire bottles

Beattie, A.G.; Shurtleff, W.W.

An acoustic emission tester for aircraft Halon bottles has been developed. The necessary load is applied by heating the bottles. Acoustic emission is monitored during the heating by six sensors held in position by a special fixture. This fixture was designed to fit spheres with diameters between 5 and 16 inches. A prototype has been undergoing testing in two commercial Halon bottle repair and test facilities. Results to date indicate that about 97 percent of the bottles tested show no indications of any flaws. The other three percent have had indications of flaws in non-critical areas of the bottles. All bottles tested to date have passed the hydrostatic test required by the Department of Transportation (DOT).

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Computational modeling of on-demand solder delivery for fluxless MCM packaging applications

Essien, M.

The development of smaller circuit volumes in microelectronic applications, particularly Multichip Module (MCM) technology, entails deposition of minute quantities of solder, with volumes on the order of nanoliters. We propose a system for fluxless solder deposition which uses on-demand solder jetting for deposition of 200 micrometer diameter solder droplets onto aluminum pads. This work details the computational modeling performed to provide design parameters for a magneto-hydrodynamic solder jetter (MHD). A dimensionless analysis was used to relate the fluid properties, the orifice length and width, and the droplet size to the amplitude and duration of the pressure pulse. These results were used as the initial inputs for the fluid dynamics model, and subsequent iterations were performed to determine the operational parameters that lead to the formation of stable, single droplets. Results show that a maximum pulse amplitude on the order of 0.5 Mdynes/cm[sup 2] is necessary to dispense molten solder from a 200 micrometer diameter orifice. The size of the droplet was found to vary linearly with the applied pressure pulse. The duration of the pulse ranged from approximately 0.6 to 0.9 milliseconds. A theoretical description of the relationship between the orifice diameter, surface tension, and `Pinch-off` time is given, and is in agreement with the results of the computational model.

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Near-surface gas mapping studies of salt geologic features at Weeks Island and other sites

Molecke, Martin A.

Field sampling and rapid gas analysis techniques were used to survey near-surface soil gases for geotechnical diagnostic purposes at the Weeks Island Strategic Petroleum Reserve (SPR) site and other salt dome locations in southern Louisiana. This report presents the complete data, results and interpretations obtained during 1995. Weeks Island 1994 gas survey results are also briefly summarized; this earlier study did not find a definitive correlation between sinkhole No. 1 and soil gases. During 1995, several hundred soil gas samples were obtained and analyzed in the field by gas chromatography, for profiling low concentrations and gas anomalies at ppm to percent levels. The target gases included hydrogen, methane, ethane and ethylene. To supplement the field data, additional gas samples were collected at various site locations for laboratory analysis of target gases at ppb levels. Gases in the near-surface soil originate predominantly from the oil, from petrogenic sources within the salt, or from surface microbial activity. Surveys were conducted across two Weeks Island sinkholes, several mapped anomalous zones in the salt, and over the SPR repository site and its perimeter. Samples were also taken at other south Louisiana salt dome locations for comparative purposes. Notable results from these studies are that elevated levels of hydrogen and methane (1) were positively associated with anomalous gassy or shear zones in the salt dome(s) and (2) are also associated with suspected salt fracture (dilatant) zones over the edges of the SPR repository. Significantly elevated areas of hydrogen, methane, plus some ethane, were found over anomalous shear zones in the salt, particularly in a location over high pressure gas pockets in the salt, identified in the mine prior to SPR operations. Limited stable isotope ratio analyses, SIRA, were also conducted and determined that methane samples were of petrogenic origin, not biogenic.

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Hopping conduction in high electric fields: three issues

Emin, David J.

Three issues concerning phonon-assisted hopping in molecularly doped polymers are considered. The first issue is whether Arrhenius jump rates in the vicinity of room temperature arise from single- phonon or small-polaronic hopping. It is concluded that Arrhenius hopping only occurs above low temperatures through small-polaronic hopping. Second, hopping in molecularly doped polymers is compared with small- polaronic hopping of other systems. Small-polaronic hopping typically occurs between similar chemical structures whose energies are relatively insensitive to their surroundings. Thus, disorder energies experienced by carriers are often modest, values of several hundredths of an eV are common. Nonetheless, the effects of large electric fields on carrier mobilities differ significantly among disordered systems. Data reported for molecularly doped polymers is unlike that for either transition- metal-oxide or chalcogenide glasses. In no case is high-field transport well understood. Finally, I stress that steady-state flow is driven by differences in sites` quasielectrochemical potentials (QECPs). With disorder, differences of QECPs are not simply related to the driving emf. Solution of the (nonlinear) stochastic equations for the QECPs shows that bottlenecks produced by disorder result in nonohmic conduction. Solving the linearized stochastic (disordered resistor network) equations underestimates bottleneck effects. Linearization is inappropriate when interest differences in the QECPs exceed [kappa]T.

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Chemometrics applied to vibrational spectroscopy: overview, challenges and pitfalls

Haaland, David M.

Chemometric multivariate calibration methods are rapidly impacting quantitative infrared spectroscopy in many positive ways. The combination of vibrational spectroscopy and chemometrics has been used by industry for quality control and process monitoring. The growth of these methods has been phenomenal in the past decade. Yet, as with any new technology, there are growing pains. The methods are so powerful at finding correlations in the data, that when used without great care they can readily yield results that are not valid for the analysis of future unknown samples. In this paper, the power of the multivariate calibration methods is discussed while pointing out common pitfalls and some remaining challenges that may slow the implementation of chemometrics in research and industry.

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Electrorheological fluids

Adolf, Douglas B.

An Electrorheological fluid is normally a low-viscosity colloidal suspension, but when an electric field is applied, the fluid undergoes a reversible transition to a solid, being able to support considerable stress without yield. Commercial possibilities for such fluids are enormous, including clutches, brakes, valves,shock absorbers, and stepper motors. However, performance of current fluids is inadequate for many proposed applications. Our goal was to engineer improved fluids by investigating the key technical issues underlying the solid-phase yield stress and the liquid to solid switching time. Our studies focused on field-induced interactions between colloidal particles that lead to solidification, the relation between fluid structure and performance (viscosity, yield stress), and the time evolution of structure in the fluid as the field is switched on or off.

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SOAR: Smartweld optimization and analysis routines

Eisler, G.R.; Fuerschbach, P.W.

A suite of MATLAB-based code modules has been developed to provide optimal weld schedules, regulating weld process parameters for C0[sub 2] and pulse ND:YAG laser welding methods, and arc welding in support of the Smartweld manufacturing initiative. The optimization methodology consists of mixed genetic and gradient-based algorithms to query semi-empirical, nonlinear algebraic models. The optimization output provides heat-input-efficient welds for user-specified weld dimensions. User querying of all weld models is available to examine sub-optimal schedules. In addition, a heat conduction equation solver for 2-D heat flow is available to provide the user with an additional check of weld thermal effects. The inclusion of thermodynamic properties allows the extension of the empirical models to include materials other than those tested. All solution methods are provided with graphical user interfaces and display pertinent results in two and three-dimensional form. The code architecture provides an extensible framework to add an arbitrary number of modules.

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Geology of the USW SD-9 drill hole, Yucca Mountain, Nevada

Rautman, Christopher A.

Drill hole USW SD-9 is one of several holes drilled under Site Characterization Plan Study as part of the characterization program at Yucca Mountain, Nevada, which has been proposed as the potential location of a repository for high-level nuclear waste. The SD-9 drill hole is located in the northern part of the potential repository area. Quantitative and semiquantitative data are included in this report for cover recovery, rock-quality designation (RQD), lithophysal cavity abundance, and fracturing. These data are spatially variable, both within and among the major formational-level stratigraphic units. Nonwelded intervals in general exhibit higher recoveries and more intact (higher) RQD values than welded intervals. The most intact, highest-RQD materials encountered within the Topopah Spring belong to the lower 33.3 ft of the middle nonlithophysal zone. This report includes quantitative data for the framework material properties of porosity, bulk and particle density, and saturated hydraulic conductivity. Graphical analysis of variations in these laboratory hydrologic properties indicates first-order control of material properties by the degree of welding and the presence of zeolite minerals. Many major lithostratigraphic contacts are not well expressed in the material-property profiles; contacts of material-property units are related more to changes in the intensity of welding. Approximate in-situ saturation data of samples preserved immediately upon recovery from the hole are included in the data tabulation.

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Cost comparison modeling between current solder sphere attachment technology and solder jetting technology

Davidson, R.N.

By predicting the total life-cycle cost of owning and operating production equipment, it becomes possible for processors to make accurate and intelligent decisions regarding major capitol equipment investments as well as determining the most cost effective manufacturing processes and environments. Cost of Ownership (COO) is a decision making technique based on inputting the total costs of acquiring, operating and maintaining production equipment. All quantitative economic and production data can be modeled and processed using COO software programs such as the Cost of Ownership Luminator program TWO COOL{trademark}. This report investigated the Cost of Ownership differences between the current state-of-the-art solder ball attachment process and a prototype solder jetting process developed by Sandia National Laboratories. The prototype jetting process is a novel and unique approach to address the anticipated high rate ball grid array (BGA) production requirements currently forecasted for the next decade. The jetting process, which is both economically and environmentally attractive eliminates the solder sphere fabrication step, the solder flux application step as well as the furnace reflow and post cleaning operations.

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Scenarios constructed for the effects of tectonic processes on the potential nuclear waste repository at Yucca Mountain

Barr, George E.

A comprehensive collection of scenarios is presented that connect initiating tectonic events with radionuclide releases by logical and physically possible combinations or sequences of features, events and processes. The initiating tectonic events include both discrete faulting and distributed rock deformation developed through the repository and adjacent to it, as well as earthquake-induced ground motion and changes in tectonic stress at the site. The effects of these tectonic events include impacts on the engineered-barrier system, such as container rupture and failure of repository tunnels. These effects also include a wide range of hydrologic effects such as changes in pathways and flow rates in the unsaturated and saturated zones, changes in the water-table configuration, and in the development of perched-water systems. These scenarios are intended go guide performance-assessment analyses and to assist principal investigators in how essential field, laboratory, and calculational studies are used. This suite of scenarios will help ensure that all important aspects of the system disturbance related to a tectonic scenario are captured in numerical analyses. It also provides a record of all options considered by project analysts to provide documentation required for licensing agreement. The final portion of this report discusses issues remaining to be addressed with respect to tectonic activity. 105 refs.

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Circuit bridging of components by smoke

Martin, Tina T.

Smoke can adversely affect digital electronics; in the short term, it can lead to circuit bridging and in the long term to corrosion of metal parts. This report is a summary of the work to date and component-level tests by Sandia National Laboratories for the Nuclear Regulatory Commission to determine the impact of smoke on digital instrumentation and control equipment. The component tests focused on short-term effects such as circuit bridging in typical components and the factors that can influence how much the smoke will affect them. These factors include the component technology and packaging, physical board protection, and environmental conditions such as the amount of smoke, temperature of burn, and humidity level. The likelihood of circuit bridging was tested by measuring leakage currents and converting those currents to resistance in ohms. Hermetically sealed ceramic packages were more resistant to smoke than plastic packages. Coating the boards with an acrylic spray provided some protection against circuit bridging. The smoke generation factors that affect the resistance the most are humidity, fuel level, and burn temperature. The use of CO{sub 2} as a fire suppressant, the presence of galvanic metal, and the presence of PVC did not significantly affect the outcome of these results.

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Findings of an International Study on Burnup Credit

Brady, M.C.

Findings from a four-year study by an international benchmarking group in the comparison of computational methods for evaluating burnup credit in criticality safety analyses are presented in this paper. Approximately 20 participants from 11 countries have provided results for most problems. Four detailed benchmark problems for Pressurized Water Reactor (PWR) fuel have been completed and are summarized in this paper. Preliminary results from current work addressing burnup credit for Boiling Water Reactor (BWR) fuel will also be discussed as well as planned activities for additional benchmarks including Mixed-Oxide (MOX) fuels, subcritical benchmarks, international databases, and other activities.

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Preliminary validation of rock mass models by comparison to laboratory frictional sliding experiments

Sobolik, Steven

The U.S. Department of Energy`s (DOE) Yucca Mountain Site Characterization Project (YMP) is studying Yucca Mountain in southwestern Nevada as a potential site for a high-level nuclear waste repository. Site characterization will be facilitated by the construction of an Exploratory Studies Facility (ESF). The ESF and potential repository will be excavated from both nonwelded and welded ashflow tuff with varying rock quality (degree of welding, rock mass strength, etc.) and fault and fracture characteristics. Design concerns for the construction of these facilities include the integrity of the structure during underground testing operations and, if it occurs, the emplacement and storage of high-level nuclear waste which could increase the local temperatures in the underground rock mass to as high as 300{degrees}C. Because of the associated issues regarding personnel and long-term environmental safety, sophisticated jointed rock mass models will be required to provide a high degree of confidence for decisions regarding the design, site characterization, and licensing of such facilities. The objective of the work documented in this report is to perform code validation calculations for three rock-mass computer models. The three rock-mass computer models used for this report are the discrete element code UDEC, Version 1.82; and the finite element continuum joint models JAC2D Version 5.10 and JAS3D Version 1.1. The rock mass behavior predicted by the models are compared to the results of laboratory experiments on layered polycarbonate (Lexan) and granite plate experiments. These experiments examine the rock mass behavior of well-defined jointed rock structures or models of jointed structures under uniaxial and biaxial loading. The laboratory environment allows control over the boundary conditions, material properties, and quality and quantity of the data obtained.

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Screening of Hydrous Metal Oxide-Supported Catalysts for NOx Reduction by Hydrocarbons in Oxidizing Environments

Lott, Stephen E.

This report describes activities completed in August 1996 under a Cooperative Research and Development Agreement (CRADA) between Sandia National Laboratories and General Motors which began in April 1993 and was later expanded in January 1994 to include Ford and Chrysler under the Low Emission Partnership (LEP). The tasks within this effort (CRADA SC93/01155) included the evaluation of hydrous metal oxide materials as catalyst supports for the abatement of nitrogen oxides in lean-burn automotive exhaust catalyst applications.

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Addressing uncertainty in rock properties through geostatistical simulation

Mckenna, Sean A.

Fracture and matrix properties in a sequence of unsaturated, welded tuffs at Yucca Mountain, Nevada, are modeled in two-dimensional cross-sections through geostatistical simulation. In the absence of large amounts of sample data, an n interpretive, deterministic, stratigraphic model is coupled with a gaussian simulation algorithm to constrain realizations of both matrix porosity and fracture frequency. Use of the deterministic, stratigraphic model imposes scientific judgment, in the form of a conceptual geologic model, onto the property realizations. Linear coregionalization and a regression relationship between matrix porosity and matrix hydraulic conductivity are used to generate realizations of matrix hydraulic conductivity. Fracture-frequency simulations conditioned on the stratigraphic model represent one class of fractures (cooling fractures) in the conceptual model of the geology. A second class of fractures (tectonic fractures) is conceptualized as fractures that cut across strata vertically and includes discrete features such as fault zones. Indicator geostatistical simulation provides locations of this second class of fractures. The indicator realizations are combined with the realizations of fracture spacing to create realizations of fracture frequency that are a combination of both classes of fractures. Evaluations of the resulting realizations include comparing vertical profiles of rock properties within the model to those observed in boreholes and checking intra-unit property distributions against collected data. Geostatistical simulation provides an efficient means of addressing spatial uncertainty in dual continuum rock properties.

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Space and military radiation effects in silicon-on-insulator devices

Schwank, James R.

Advantages in transient ionizing and single-event upset (SEU) radiation hardness of silicon-on-insulator (SOI) technology spurred much of its early development. Both of these advantages are a direct result of the reduced charge collection volume inherent to SOI technology. The fact that SOI transistor structures do not include parasitic n-p-n-p paths makes them immune to latchup. Even though considerable improvement in transient and single-event radiation hardness can be obtained by using SOI technology, there are some attributes of SOI devices and circuits that tend to limit their overall hardness. These attributes include the bipolar effect that can ultimately reduce the hardness of SOI ICs to SEU and transient ionizing radiation, and charge buildup in buried and sidewall oxides that can degrade the total-dose hardness of SOI devices. Nevertheless, high-performance SOI circuits can be fabricated that are hardened to both space and nuclear radiation environments, and radiation-hardened systems remain an active market for SOI devices. The effects of radiation on SOI MOS devices are reviewed.

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Testing of advanced liquefaction concepts in HTI Run ALC-1: Coal cleaning and recycle solvent treatment

Miller, James E.

In 1991, the Department of Energy initiated the Advanced Liquefaction Concepts Program to promote the development of new and emerging technology that has potential to reduce the cost of producing liquid fuels by direct coal liquefaction. Laboratory research performed by researchers at CAER, CONSOL, Sandia, and LDP Associates in Phase I is being developed further and tested at the bench scale at HTI. HTI Run ALC-1, conducted in the spring of 1996, was the first of four planned tests. In Run ALC-1, feed coal ash reduction (coal cleaning) by oil agglomeration, and recycle solvent quality improvement through dewaxing and hydrotreatment of the recycle distillate were evaluated. HTI`s bench liquefaction Run ALC-1 consisted of 25 days of operation. Major accomplishments were: 1) oil agglomeration reduced the ash content of Black Thunder Mine coal by 40%, from 5.5% to 3.3%; 2) excellent coal conversion of 98% was obtained with oil agglomerated coal, about 3% higher than the raw Black Thunder Mine coal, increasing the potential product yield by 2-3% on an MAF coal basis; 3) agglomerates were liquefied with no handling problems; 4) fresh catalyst make-up rate was decreased by 30%, with no apparent detrimental operating characteristics, both when agglomerates were fed and when raw coal was fed (with solvent dewaxing and hydrotreating); 5) recycle solvent treatment by dewaxing and hydrotreating was demonstrated, but steady-state operation was not achieved; and 6) there was some success in achieving extinction recycle of the heaviest liquid products. Performance data have not been finalized; they will be available for full evaluation in the new future.

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A proposed protocol for remote control of automated assessment devices

Pritchard, Daniel

Systems and devices that are controlled remotely are becoming more common in security systems in the US Air Force and other government agencies to provide protection of valuable assets. These systems reduce the number of needed personnel while still providing a high level of protection. However, each remotely controlled device usually has its own communication protocol. This limits the ability to change devices without changing the system that provides the communications control to the device. Sandia is pursuing a standard protocol that can be used to communicate with the different devices currently in use, or may be used in the future, in the US Air Force and other government agencies throughout the security community. Devices to be controlled include intelligent pan/tilt mounts, day/night video cameras., thermal imaging cameras, and remote data processors. Important features of this protocol include the ability to send messages of varying length, identify the sender, and more importantly, control remote data processors. As camera and digital signal processor (DSP) use expands, the DSP will begin to reside in the camera itself. The DSP can be used to provide auto-focus, frame-to- frame image registration, video motion detection (VMD), target detection, tracking, image compression, and many other functions. With the serial data control link, the actual DSP software can be updated or changed as required. Coaxial video cables may become obsolete once a compression algorithm is established in the DSP. This paper describes the proposed public domain protocol, features, and examples of use. The authors hope to elicit comments from security technology developers regarding format and use of remotely controlled automated assessment devices. 2 figs., 1 tab.

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Insights into multivariate calibration using errors-in-variables modeling

Thomas, Edward V.

A {ital q}-vector of responses, y, is related to a {ital p}-vector of explanatory variables, x, through a causal linear model. In analytical chemistry, y and x might represent the spectrum and associated set of constituent concentrations of a multicomponent sample which are related through Beer`s law. The model parameters are estimated during a calibration process in which both x and y are available for a number of observations (samples/specimens) which are collectively referred to as the calibration set. For new observations, the fitted calibration model is then used as the basis for predicting the unknown values of the new x`s (concentrations) form the associated new y`s (spectra) in the prediction set. This prediction procedure can be viewed as parameter estimation in an errors-in-variables (EIV) framework. In addition to providing a basis for simultaneous inference about the new x`s, consideration of the EIV framework yields a number of insights relating to the design and execution of calibration studies. A particularly interesting result is that predictions of the new x`s for individual samples can be improved by using seemingly unrelated information contained in the y`s from the other members of the prediction set. Furthermore, motivated by this EIV analysis, this result can be extended beyond the causal modeling context to a broader range of applications of multivariate calibration which involve the use of principal components regression.

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Amplitude and phase beam characterization using a two-dimensional wavefront sensor

Neal, D.R.

We have developed a two-dimensional Shack-Hartman wavefront sensor that uses binary optic lenslet arrays to directly measure the wavefront slope (phase gradient) and amplitude of the laser beam. This sensor uses an array of lenslets that dissects the beam into a number of samples. The focal spot location of each of these lenslets (measured by a CCD camera) is related to the incoming wavefront slope over the lenslet. By integrating these measurements over the laser aperture, the wavefront or phase distribution can be determined. Since the power focused by each lenslet is also easily determined, this allows a complete measurement of the intensity and phase distribution of the laser beam. Furthermore, all the information is obtained in a single measurement. Knowing the complete scalar field of the beam allows the detailed prediction of the actual beam`s characteristics along its propagation path. In particular, the space- beamwidth product M{sup 2}, can be obtained in a single measurement. The intensity and phase information can be used in concert with information about other elements in the optical train to predict the beam size, shape, phase and other characteristics anywhere in the optical train. We present preliminary measurements of an Ar{sup +} laser beam and associated M{sup 2} calculations.

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Rapid prototyping: A paradigm shift in investment casting

Atwood, Clinton L.

The quest for fabricating complex metal parts rapidly and with minimal cost has brought rapid prototyping (RP) processes to the forefront of the investment casting industry. Relatively recent advances in DTM Corporation`s selective laser sintering (SLS) and 3D Systems stereolithography (SL) processes have had a significant impact on the overall quality of patterns produced using these rapid prototyping processes. Sandia National Laboratories uses patterns generated from rapid prototyping processes to reduce the cycle time and cost of fabricating prototype and small lot production parts in support of a program called FASTCAST. The SLS process is used to fabricate patterns from materials such as investment casting wax, polycarbonate, and a new material called TrueForm PM{trademark}. With the timely introduction of each of these materials, the quality of patterns fabricated has improved. The development and implementation of SL QuickCast{trademark} software has enabled this process to produce highly accurate patterns for use in investment casting. This paper focuses on the successes with these new pattern materials and the infrastructure required to cast rapid prototyping patterns successfully. In addition, a brief overview of other applications of rapid prototyping at Sandia will be discussed.

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Accelerated life-time testing and resistance degradation of thin-film decoupling capacitors

Al-Shareef, H.

Resistance degradation in PZT thin-film capacitors has been studied as a function of applied voltage, temperature, and film composition. It is found that the mean-time-to-failure (life-time or t{sub f}) of the capacitors shows a power law dependence on applied voltage of he form t{sub f} {proportional_to} V{sup {minus}n} (n {approximately} 4--5). The capacitor life-time also exhibits a temperature dependence of the form t{sub f} {proportional_to} exp(E{sub a}/kT), with an activation energy of {approximately} 0.8 eV. The steady-state leakage current in these samples appears to be bulk controlled. The voltage, temperature, and polarity dependence of the leakage current collectively suggest a leakage current mechanism most similar to a Frenkel-Poole process. The life-time and leakage current of the Nb-doped PZT films are superior to the undoped PZT films. This result can be explained based on the point-defect chemistry of the PZT system. Finally, the results indicate that the Nb-doped PZT films meet the essential requirements for decoupling capacitor applications.

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A local view of bonding and diffusion at metal surfaces

Feibelman, Peter J.

First-principles density functional calculations and corresponding experimental results underline the importance of basic chemical concepts, such as coordination, valence saturation and promotion-hybridization energetics, in understanding bonding and diffusion of atoms at and on metal surfaces. Several examples are reviewed, including outer-layer relaxations of clean hcp(0001) surfaces, liquid-metal-embrittlement energetics, separation energies of metal-adatom dimers, concerted substitutional self-diffusion on fcc(001) surfaces, and adsorption and diffusion barrier sites for adatoms near steps.

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Hybrid power technology for remote military facilities

Chapman, R.N.

The Department of Defense (DoD) operates hundreds of test, evaluation, and training facilities across the US and abroad. Due to the nature of their missions, these facilities are often remote and isolated from the utility grid. The preferred choice for power at these facilities has historically been manned diesel generators. The DoD Photovoltaic Review Committee, estimates that on the order of 350 million gallons of diesel fuel is burned each year to generate the 2000 GWh of electricity required to operate these remote military facilities. Other federal agencies, including the National Park Service and the USDA Forest Service use diesel generators for remote power needs as well. The generation of power diesel generators is both expensive and detrimental to the environment. The augmentation of power from diesel generators with power processing and battery energy storage enhances the efficiency and utilization of the generator resulting in lower fuel consumption and lower generator run- time in proportion to the amount of renewables added. The hybrid technology can both reduce the cost of power and reduce environmental degradation at remote DoD facilities. This paper describes the expected performance and economics of photovoltaic/diesel hybrid systems. Capabilities and status of systems now being installed at DoD facilities are presented along with financing mechanisms available within DoD.

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Recovery of precious metals from military electronic components

Lutz, J.D.

Sandia National Laboratories developed a process to identify and remove the hazardous sub-components from dismantled weapons components utilizing real-time radiography and abrasive water-jet cutting. The components were then crushed, granulated, screened, and separated into an aluminium and a precious-and-base-metals fraction using air-tables. Plastics were further cleaned for disposal as non- hazardous waste.

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Free form fabrication of metallic components using laser engineered net shaping (LENS{trademark})

Atwood, Clinton L.

Solid free form fabrication is one of the fastest growing automated manufacturing technologies that has significantly impacted the length of time between initial concept and actual part fabrication. Starting with CAD renditions of new components, several techniques such as stereolithography and selective laser sintering are being used to fabricate highly accurate complex three-dimensional concept models using polymeric materials. Coupled with investment casting techniques, sacrificial polymeric objects are used to minimize costs and time to fabricate tooling used to make complex metal castings. This paper will describe recent developments in a new technology, known as LENS{sup {trademark}} (Laser Engineered Net Shaping), to fabricate metal components directly from CAD solid models and thus further reduce the lead times for metal part fabrication. In a manner analogous to stereolithography or selective sintering, the LENS{sup {trademark}} process builds metal parts line by line and layer by layer. Metal particles are injected into a laser beam, where they are melted and deposited onto a substrate as a miniature weld pool. The trace of the laser beam on the substrate is driven by the definition of CAD models until the desired net-shaped densified metal component is produced.

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International Atomic Energy Agency (IAEA) initiatives: Records management for deep and near surface geologic repositories

Warner, Peggy J.

The international scientific community has long had an interest in determining methods by which information regarding nuclear waste repositories, and the inherent danger to humanity, could be passed from generation to generation and society to society. Because nuclear waste will remain radioactive for thousands of years future generations must be warned of the dangers thus eliminating intentional or inadvertent intrusion. Member States of the IAEA have determined that the principle safety of such sites must not rely solely on long term institutional arrangements for the retention of information. It is believed that repository siting, design, operation and postoperation information should be gathered, managed and retained so that this information remains accessible to future societies over a very long period of time. The radionuclide life is 10,000 years; thus the retention of information continues beyond current societies, cultures and languages, and must be continually migrated to new retrieval technologies to assure access.

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Engineering Manhattan style: Sandia Laboratories as an example of postwar engineering

Ullrich, Rebecca A.

A great deal has been written about the history of science in America since World War II. Much of that work has explored the government`s research and development establishment, focusing on the scientific community immediately after the war. It is generally argued that the apparent triumphs of the huge and expensive wartime research and development projects gave rise to a belief that scientific resources should be nurtured and kept on hand - ready to provide service in an emergency. The Cold War drive for more and better weapons further fed this belief, leading to a massive system of national laboratories, military laboratories, and defense industries. The science of this complex is built on extensive financial support, the central strategy of which is that by steadily, and occasionally even lavishly funding large research programs, you will have a constant stream of scientific ideas that can be applied to national security purposes. What is true of science, is also true, in slightly modified form, of postwar engineering. The story I want to tell you today is, I think, an example of the way Cold War engineering r&d for national security worked. This report describes aspects of the Sandia National Laboratories.

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Achieving strategic surety for high consequence software

Pollock, Guylaine M.

A strategic surety roadmap for high consequence software systems under the High Integrity Software (HIS) Program at Sandia National Laboratories guides research in identifying methodologies to improve software surety. Selected research tracks within this roadmap are identified and described detailing current technology and outlining advancements to be pursued over the coming decade to reach HIS goals. The tracks discussed herein focus on Correctness by Design, and System Immunology{trademark}. Specific projects are discussed with greater detail given on projects involving Correct Specification via Visualization, Synthesis, & Analysis; Visualization of Abstract Objects; and Correct Implementation of Components.

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Computational modeling of direct molten solder delivery for ball grid array applications

Essien, M.

Computational modeling has been performed to determine optimum operational parameters for a piston-driven molten solder jetting device used to create array interconnects for BGA applications. The device is capable of delivering a 20 x 20 array of 600-800 {mu}m diameter molten 60Sn40Pb solder droplets onto an array of copper pads and primarily consists of an electromechanically driven piston, a heated reservoir, and an orifice plate. computer simulations were performed to determine the relationship between the amplitude and the rate of piston displacement, the onset of fluid ``pinch off``, and the production of satellite droplets. Results show that stable droplets are generated when the volume of the displaced fluid has a spherical diameter that is approximately equal to the orifice diameter.

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Reduce overhead by using outside services

Sanchez, Robert O.

This document, after giving a summary of Sandia`s mission, describes technology transfer efforts and accomplishments at Sandia. This includes information on their user facilities: the combustion research facility, the national solar thermal test facility, and the electronics quality and reliability center.

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Scannerless terrain mapper

Sackos, John T.

NASA-Ames Research Center, in collaboration with Sandia National Laboratories, is developing a Scannerless Terrain Mapper (STM) for autonomous vehicle guidance through the use of virtual reality. The STM sensor is based on an innovative imaging optical radar technology that is being developed by Sandia National Laboratories. The sensor uses active flood-light scene illumination and an image intensified CCD camera receiver to rapidly produce and record very high quality range imagery of observed scenes. The STM is an all solid-state device (containing no moving parts) and offers significant size, performance, reliability, simplicity, and affordability advantages over other types of 3-D sensor technologies, such as scanned laser radar, stereo vision, and structured lighting. The sensor is based on low cost, commercially available hardware, and is very well suited for affordable application to a wide variety of military and commercial uses, including: munition guidance, target recognition, robotic vision, automated inspection, driver enhanced vision, collision avoidance, site security and monitoring, and facility surveying. This paper reviews the sensor technology, discusses NASA`s terrain mapping applications, and presents results from the initial testing of the sensor at NASA`s planetary landscape simulator.

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Fabrication of SrCo{sub 0.5}FeO{sub x} oxygen separation membranes on porous supports

Ng, Man F.

SrCo{sub 0.5}FeO{sub x} (SCF) is an attractive material for oxygen separation membranes and for use in catalytic membrane reactors. While tubes of this material have been prepared by extrusion, further improvements in oxygen transport performance may be gained by preparing thinner membranes on porous supports. In this paper, we will discuss the deposition of thick films by spray deposition and centrifugal casting, and thin films by pyrolysis of chemical precursors. For the chemically derived thin films, porous MgO supports were used as membrane supports. Three types of precursor solutions were employed for dipcoating: a Pechini type solution, a nitrate-based solution, and a citrate-based solution. To prevent the infiltration of the precursor into the support, the support was backfilled with a material that decomposed at higher temperatures than the precursors. Cracking due to the volume changes during drying and pyrolysis of the precursors is discussed. Thick films were prepared by spray coating and centrifugal casting. Spray deposition of thick film membranes was accomplished by air brushing SCF from a water-based suspension onto the surface of a porous MgO support. Films on the interior surface of the supports were prepared by centrifugal casting using a xylene/butanol-based SCF suspension. Unlike extruded tubes, thick films undergo constrained sintering due to the presence of the support, which greatly reduces the densification rate. For membranes prepared by both approaches, we will discuss the effects of heating schedules on membrane microstructure, densification behavior, and cracking.

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Plasma-induced-damage of GaN

Shul, Randy J.

Plasma-induced-damage often degrades the electrical and optical properties of compound semiconductor devices. Despite the fact that the binding energy of GaN is larger than that for more conventional III--V compounds, etch damage is still a concern. Photoluminescence measurements and atomic force microscopy have been used to determine the damage induced in GaN by exposure to both electron cyclotron resonance (ECR) and inductively coupled plasmas (ICP) generated Ar plasmas.

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Semantics and correctness proofs for programs with partial functions

Yakhnis, A.

This paper presents a portion of the work on specification, design, and implementation of safety-critical systems such as reactor control systems. A natural approach to this problem, once all the requirements are captured, would be to state the requirements formally and then either to prove (preferably via automated tools) that the system conforms to spec (program verification), or to try to simultaneously generate the system and a mathematical proof that the requirements are being met (program derivation). An obstacle to this is frequent presence of partially defined operations within the software and its specifications. Indeed, the usual proofs via first order logic presuppose everywhere defined operations. Recognizing this problem, David Gries, in ``The Science of Programming,`` 1981, introduced the concept of partial functions into the mainstream of program correctness and gave hints how his treatment of partial functions could be formalized. Still, however, existing theorem provers and software verifiers have difficulties in checking software with partial functions, because of absence of uniform first order treatment of partial functions within classical 2-valued logic. Several rigorous mechanisms that took partiality into account were introduced [Wirsing 1990, Breu 1991, VDM 1986, 1990, etc.]. However, they either did not discuss correctness proofs or departed from first order logic. To fill this gap, the authors provide a semantics for software correctness proofs with partial functions within classical 2-valued 1st order logic. They formalize the Gries treatment of partial functions and also cover computations of functions whose argument lists may be only partially available. An example is nuclear reactor control relying on sensors which may fail to deliver sense data. This approach is sufficiently general to cover correctness proofs in various implementation languages.

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PAMTRAK: A system to monitor high value objects and personnel in restricted areas

Anspach, D.A.; Walters, B.G.; Anspach, J.P.; Crain Jr., B.

The US Department of Energy (DOE) uses sensitive or classified parts and material that must be protected and accounted for. The authors believe there is a need for an automated system that can help protect and monitor these parts and material. In response to this need Sandia National Laboratories (SNL) has developed a real-time personnel and material tracking system called PAMTRAK that has been installed at selected DOE facilities. PAMTRAK safeguards sensitive parts and material by tracking tags worn by personnel and by monitoring sensors attached to the parts or material. This paper describes the goals when designing PAMTRAK, the PAMTRAK system components, the current installations, and the benefits a site can expect when using PAMTRAK.

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Planar surface-micromachined pressure sensor with a sub-surface, embedded reference pressure cavity

Eaton, W.P.; Smith, J.H.

Planar, surface micromachined pressure sensors have been fabricated by an extension of the chemical-mechanical polishing (CMP) process. CMP eliminates many of the fabrication problems associated with the photolithography, dry etch, and metallization of non-planar devices. Furthermore, CMP adds additional design flexibility. The sensors are based upon deformable, silicon nitride diaphragms with polysilicon piezoresistors. Absolute pressure is detected by virtue of reference pressure cavities underneath the diaphragms. Process details are discussed and characteristics from many devices are presented.

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Effect of oxidations on phosphorus-diffused crystalline-silicon substrates

Gee, James M.

Phosphorus diffusions are used in the fabrication process for nearly all crystalline-silicon (c-Si) photovoltaic solar cells to form the emitter of the solar cell. These phosphorous diffusions are also well known to have beneficial gettering benefits, i.e., deleterious metallic impurities are gettered from the bulk of the c-Si substrate into the phosphorous doped layer. In this study, we examined the effect of oxidations performed after the phosphorus diffusion. We were particularly interested in using the oxidation to passivate the surface of the phosphorus diffusion. Post-diffusion oxidations or moderate temperature steps in oxidizing ambients are also commonly found in commercial fabrication sequences of c-Si solar cells. we found that the bulk lifetime was degraded in Czochralski (Cz) silicon due to the post-diffusion oxidation unless there was a gettering agent present during the oxidation. Possible explanations for these results are presented at the end of the paper.

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Catalytic dehydrogenation of propane and isobutane in hydrogen permselective membrane reactors

Collins, J.P.

The dehydrogenation of propane and isobutane was studied in hydrogen permselective packed bed membrane reactors and conventional packed bed reactors. Two different types of developmental membranes were investigated: sol-gel derived silica-based membranes and a pure palladium thin film supported by a porous ceramic substrate. The palladium membranes deactivated and eventually failed when exposed to both isobutane and propane dehydrogenation temperatures above 773 K. Moderate improvements in propylene and isobutylene yields were obtained with the silica-based membrane reactors. An isobutylene yield of 48 mole percent was obtained at a liquid hourly space velocity (LHSV) of 1.8 and temperature of 798 K compared to a yield of 39 percent in a conventional reactor operated with the same flow rate. Similar improvements in propylene yield were obtained when the silica-based membranes were tested in propane dehydrogenation experiments. There was no significant difference in the reaction selectivities for the desired olefin products when the membrane and conventional reactors were operated with the scone LHSV However, for a constant value of the olefin yield, the membrane reactors had a higher reaction selectivity since the desired yield was achieved at a higher LHSV where there was less time for side products to form. Catalyst deactivation rates were generally greater in the membrane reactors, especially when the reactors were operated with high hydrogen removal rates at temperatures of 773 K and above.

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High-frequency operation of 0.3 {mu}m GaAs JFETs for low-power electronic

Zolper, J.C.

GaAs Junction Field Effect Transistors (JFETs) have attracted renewed attention for low-power, low-voltage electronics. JFETs have a significant advantage over MESFETs for low-power operation due to their higher gate barrier to current flow resulting from p/n junction gate. This paper reports recent advances in an all ion implanted self-aligned GaAs JFET with a gate length down to 0.3 {mu}m. By employing shallopw SiF implants next to the gate, dielectric sidewall spacers, and 50 keV source and drain implants, JFETs with a f{sub t} up to 49 GHz with good pinchoff and subthreshold characteristics have been realized. In addition, the JFET benefits from the use of shallow Zn or Cd implantation to form abrupt p{sup +}/n gate profiles.

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ICP etching of GaAs via hole contacts

Shul, Randy J.

Deep etching of GaAs is a critical process step required for many device applications including fabrication of through-substrate via holes for monolithic microwave integrated circuits (MMICs). Use of high-density plasmas, including inductively coupled plasmas (ICP), offers an alternative approach to etching vias as compared to more conventional parallel plate reactive ion etch systems. This paper reports ICP etching of GaAs vias at etch rates of about 5.3 {mu}m/min with via profiles ranging from highly anistropic to conical.

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The role of AlN encapsulation of GaN during implant activation annealing

Zolper, J.C.

With the demonstration of implant doping of GaN and the resulting need to perform the activation anneal at 1100 C, details of thermal stability of the GaN surface needs to be understood. This work reports on the use of a sputtered AlN encapsulant to preserve the surface of GaN during such annealing. The surface was characterized by formation of Pt/Au Schottky contacts and by AES. Schottky contacts deposited an GaN annealed wtih the AlN encapsulant displayed good rectification properties while those formed on GaN annealed uncapped approached ohmic behavior. AES analysis supports the hypothesis that the uncapped sample has lost N from the very near surface which creates N-vacancies that act as donors and thereby form an n{sup +}-surface layer.

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Pencil-like mm-size electron beams produced with linear inductive voltage adders (LIVA)

Mazarakis, Michael G.

This paper presents design, analysis, and first results of the high brightness electron beam experiments currently under investigation at Sandia. Anticipated beam parameters are: energy 12 MeV, current 35-40 kA, rms radius 0.5 mm, pulse duration 40 ns FWHM. The accelerator is SABRE, a pulsed LIVA modified to higher impedance, and the electron source is a magnetically immersed foilless electron diode. 20 to 30 Tesla solenoidal magnets are required to insulate the diode and contain the beam to its extremely small sized (1 mm) envelope. These experiments are designed to push the technology to produce the highest possible electron current in a submillimeter radius beam. Design, numercial simulations, and first experimental results are presented.

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Complementary HFET technology for wireless digital and microwave applications

Baca, Albert G.

Development of a complementary heterostructure field effect transistor (CHFET) technology for low-power, mixed-mode digital-microwave applications is presented. Digital CHFET technology with independently optimizable transistors has been shown to operate with 319 ps loaded gate delays at 8.9 fJ. Power consumption is dominated by leakage currents of the p-channel FET, while performance is determined by the characteristics of 0.7 {mu}m gate length devices. As a microwave technology, the nJFET forms the basis of low-power cirucitry without any modification to the digital process. Narrow band amplification with a 0.7x100 {mu}m nJFET has been demonstrated at 2.1-2.4 GHz with gains of 8-10 dB at 1 mW power. These amplifiers showed a minimum noise figure of 2.5 dB. Next generation CHFET transistors with sub 0.5 {mu}m gate lengths have also been developed. Cutoff frequencies of 49 and 11.5 GHz were achieved for n- and p-channel FETs with 0.3 and 0.4 {mu}m gates, respectively. These FETs will enable enhancements in both digital and microwave circuits.

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Domain-independent information extraction in unstructured text

Irwin, N.H.

Extracting information from unstructured text has become an important research area in recent years due to the large amount of text now electronically available. This status report describes the findings and work done during the second year of a two-year Laboratory Directed Research and Development Project. Building on the first-year`s work of identifying important entities, this report details techniques used to group words into semantic categories and to output templates containing selective document content. Using word profiles and category clustering derived during a training run, the time-consuming knowledge-building task can be avoided. Though the output still lacks in completeness when compared to systems with domain-specific knowledge bases, the results do look promising. The two approaches are compatible and could complement each other within the same system. Domain-independent approaches retain appeal as a system that adapts and learns will soon outpace a system with any amount of a priori knowledge.

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A national laboratory/private industry cooperative research and development agreement (CRADA)

Pritchard, Daniel

This paper provides an overview of the history and process of establishing a cooperative research and development agreement (CRADA) between Sandia National Laboratories and Magnavox Electronic Systems Company for the design, development, and testing of a 360-degree scanning, imaging, intrusion detection sensor. The subject of the CRADA is the Advanced Exterior Sensor (AES). It is intended for exterior use at ranges from 50 to 1,500 meters and uses a combination of three sensing technologies (infrared, visible, and radar) and a new data processing method to provide low false-alarm intrusion detection and tracking combined with immediate visual assessment. The establishment of this CRADA represents a new paradigm in the cooperation between the Department of Defense, the Department of Energy, the National Laboratories and Private Industry. Although a formal document has now been executed, a CRADA is, nonetheless, primarily an agreement to work with each other to achieve goals that might otherwise be unattainable.

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Analysis of waveguiding properties of VCSEL structures

Erteza, Ireena

In this paper, the authors explore the feasibility of using the distributed Bragg reflector, grown on the substrate for a VCSEL (Vertical Cavity Surface Emitting Laser), to provide waveguiding within the substrate. This waveguiding could serve as an interconnection among VCSELs in an array. Before determining the feasibility of waveguide interconnected VCSELs, two analysis methods are presented and evaluated for their applicability to this problem. The implementations in Mathematica of both these methods are included. Results of the analysis show that waveguiding in VCSEL structures is feasible. Some of the many possible uses of waveguide interconnected VCSELs are also briefly discussed. The tools and analysis presented in this report can be used to evaluate such system concepts and to do detailed design calculations.

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Measurements of transient electromagnetic propagation through concrete and sand

Aurand, J.F.

This is the final report of a one-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). If a beam-chopping system could be developed for the Los Alamos Meson Physics Facility low-energy beam line, there would be potential to operate the Los Alamos Neutron Scattering Center (LANSCE) at much higher power and duty factor and enable such operation with a radio-frequency quadrapole (RFQ) injector. This would greatly extend the capability of the facility. To accommodate LANSCE operation in the new configuration, a chopped beam must be created in the low-energy transport line before the RFQ. Chopping in this region has never been demonstrated and constitutes the major uncertainty of the proposal and determines the critical path for project completion. This study produces a better understanding of the physics involved in chopping an H-beam in a dilute plasma background, and in transporting a chopped H-beam through a neutralized or partially neutralized plasma channel, as well as an estimate for the optimum neutralization strategy for the beam chopping and transport between the ion source and the RFQ.

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1995 Site environmental report Sandia National Laboratories, Albuquerque, New Mexico

Culp, Todd A.

This 1995 report contains data from routine radiological and non-radiological environmental monitoring activities. Summaries of significant environmental compliance programs in progress, such as National Environmental Policy Act documentation, environmental permits, environmental restoration and various waste management programs at Sandia National Laboratories in Albuquerque, New Mexico, are included.

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Personal nuclear accident dosimetry at Sandia National Laboratories

Ward, Dann C.

DOE installations possessing sufficient quantities of fissile material to potentially constitute a critical mass, such that the excessive exposure of personnel to radiation from a nuclear accident is possible, are required to provide nuclear accident dosimetry services. This document describes the personal nuclear accident dosimeter (PNAD) used by SNL and prescribes methodologies to initially screen, and to process PNAD results. In addition, this report describes PNAD dosimetry results obtained during the Nuclear Accident Dosimeter Intercomparison Study (NAD23), held during 12-16 June 1995, at Los Alamos National Laboratories. Biases for reported neutron doses ranged from -6% to +36% with an average bias of +12%.

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Characterization of MgO powders for use in thermal batteries

Guidotti, Ronald A.

Ten commercial MgO powders were evaluated for their suitability to act as a binder in the separator of thermal batteries to immobilize the electrolyte when it is molten. One brand in particular, Maglite S from Calgon, outperformed all the others. This report describes the results of a characterization study of this MgO as well as similar materials from other commercial vendors. The study objective was to define the critical properties of Maglite S MgO that are responsible for its superior performance in thermal-battery separators. Separator mixes were prepared with the various MgO powders and the resulting powders and pellets were characterized, to correlate key physical properties of these materials to select physical and chemical properties of the MgO powders used in their preparation. The MgO pore-size distribution was the only parameter that could be related to the deformation and electrolyte-leakage behavior of separator pellets. A potential replacement for the Maglite S is currently being qualified, since Maglite S MgO is no longer available.

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1995 Site environmental report Tonopah Test Range, Tonopah, Nevada

Culp, Todd A.

This report summarizes the environmental surveillance activities conducted by Sandia National Laboratories. Sandia National Laboratories` responsibility for environmental surveillance results extends to those activities performed by Sandia National Laboratories or under its direction. Results from other organizations environmental surveillance activities are included to provide a measure of completeness. Other environmental compliance programs such as the National Environmental Policy Act of 1969, environmental permits, and environmental restoration and waste management programs are also included in this report, prepared for the U.S. Department of Energy (DOE) in compliance with DOE Order 5400.1.

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Selection of a numerical unsaturated flow code for tilted capillary barrier performance evaluation

Webb, Stephen W.

Capillary barriers consisting of tilted fine-over-coarse layers have been suggested as landfill covers as a means to divert water infiltration away from sensitive underground regions under unsaturated flow conditions, especially for arid and semi-arid regions. Typically, the HELP code is used to evaluate landfill cover performance and design. Unfortunately, due to its simplified treatment of unsaturated flow and its essentially one-dimensional nature, HELP is not adequate to treat the complex multidimensional unsaturated flow processes occurring in a tilted capillary barrier. In order to develop the necessary mechanistic code for the performance evaluation of tilted capillary barriers, an efficient and comprehensive unsaturated flow code needs to be selected for further use and modification. The present study evaluates a number of candidate mechanistic unsaturated flow codes for application to tilted capillary barriers. Factors considered included unsaturated flow modeling, inclusion of evapotranspiration, nodalization flexibility, ease of modification, and numerical efficiency. A number of unsaturated flow codes are available for use with different features and assumptions. The codes chosen for this evaluation are TOUGH2, FEHM, and SWMS{_}2D. All three codes chosen for this evaluation successfully simulated the capillary barrier problem chosen for the code comparison, although FEHM used a reduced grid. The numerical results are a strong function of the numerical weighting scheme. For the same weighting scheme, similar results were obtained from the various codes. Based on the CPU time of the various codes and the code capabilities, the TOUGH2 code has been selected as the appropriate code for tilted capillary barrier performance evaluation, possibly in conjunction with the infiltration, runoff, and evapotranspiration models of HELP. 44 refs.

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Oblique penetration modeling and correlation with field tests into a soil target

Longcope, Donald B.

An oblique penetration modeling procedure is evaluated by correlation with onboard acceleration data from a series of six penetration tests into Antelope Dry Lake soil at Tonopah Test Range, Nevada. The modeling represents both the loading which is coupled to the penetrator bending and the penetrator structure including connections between the major subsections. Model results show reasonable agreement with the data which validates the modeling procedure within a modest uncertainty related to accelerometer clipping and rattling of the telemetry package. The experimental and analytical results provide design guidance for the location and lateral restraint of components to reduce their shock environment.

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Modeling acute health risks associated with accidental releases of toxic gases

Young, Mary L.

CHEM{_}MACCS has been developed from the radiological accident consequence code, MACCS, to perform probabilistic calculations of potential off-site consequences of the accidental atmospheric release of hazardous chemicals. The principal phenomena considered in CHEM{_}MACCS are atmospheric transport, mitigative actions based on dose projection, dose accumulation by a number of pathways, and early and latent health effects. CHEM{_}MACCS provides the following capabilities: (1) statistical weather sampling data (8,760 hourly data points per year), (2) population dose and health effect risk calculations based on site-specific population data, (3) health effects calculations including the consideration of potential site specific mitigative actions (evacuation and shielding), and (4) modeling of multiple release segments. Three different sample problems are contained in this report to show how to use CHEM{_}MACCS. Three test problems are run to compare CHEM{_}MACCS and D2PC. The doses versus the downwind centerline distances from the source for the given doses are in very close agreement.

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Autonomous gas chromatograph system for Thermal Enhanced Vapor Extraction System (TEVES) proof of concept demonstration

Peter, Frank J.

An autonomous gas chromatograph system was designed and built to support the Thermal Enhanced Vapor Extraction System (TEVES) demonstration. TEVES is a remediation demonstration that seeks to enhance an existing technology (vacuum extraction) by adding a new technology (soil heating). A pilot scale unit was set up at one of the organic waste disposal pits at the Sandia National Laboratories Chemical Waste Landfill (CWL) in Tech Area 3. The responsibility for engineering a major part of the process instrumentation for TEVES belonged to the Manufacturing Control Subsystems Department. The primary mission of the one-of-a-kind hardware/software system is to perform on-site gas sampling and analysis to quantify a variety of volatile organic compounds (VOCs) from various sources during TEVES operations. The secondary mission is to monitor a variety of TEVES process physical parameters such as extraction manifold temperature, pressure, humidity, and flow rate, and various subsurface pressures. The system began operation in September 1994 and was still in use on follow-on projects when this report was published.

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FIDAP capabilities for solving problems with stiff chemistry

Torczynski, John R.

In support of the Motorola CRADA, the capabilities of the computational fluid dynamics code FIDAP (Fluid Dynamics International) for simulating problems involving fluid flow, heat transport, and chemical reactions have been assessed and enhanced as needed for semiconductor-processing applications (e.g. chemical vapor deposition). A novel method of treating surface chemical species that uses only pre-existing FIDAP commands is described and illustrated with test problems. A full-Jacobian treatment of the chemical reaction rate expressions during formation of the stiffness matrix has been implemented in FIDAP for both the Arrhenius-parameter and user-subroutine methods of specifying chemical reactions, where the Jacobian terms can be calculated analytically or numerically. This formulation is needed to obtain convergence when reaction rates become large compared to transport rates (stiff chemistry). Several test problems are analyzed, and in all cases this approach yields good convergence behavior, even for extremely stiff fluid-phase and surface reactions. A stiff segregated algorithm has been developed and implemented in FIDAP. Analysis of test problems indicates that this algorithm yields improved convergence behavior compared with the original segregated algorithm. This improved behavior enables segregated techniques to be applied to problems with stiff chemistry, as required for large three-dimensional multi-species problems.

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Current limiters

Loescher, Douglas H.

The current that flows between the electrical test equipment and the nuclear explosive must be limited to safe levels during electrical tests conducted on nuclear explosives at the DOE Pantex facility. The safest way to limit the current is to use batteries that can provide only acceptably low current into a short circuit; unfortunately this is not always possible. When it is not possible, current limiters, along with other design features, are used to limit the current. Three types of current limiters, the fuse blower, the resistor limiter, and the MOSFET-pass-transistor limiters, are used extensively in Pantex test equipment. Detailed failure mode and effects analyses were conducted on these limiters. Two other types of limiters were also analyzed. It was found that there is no best type of limiter that should be used in all applications. The fuse blower has advantages when many circuits must be monitored, a low insertion voltage drop is important, and size and weight must be kept low. However, this limiter has many failure modes that can lead to the loss of over current protection. The resistor limiter is simple and inexpensive, but is normally usable only on circuits for which the nominal current is less than a few tens of milliamperes. The MOSFET limiter can be used on high current circuits, but it has a number of single point failure modes that can lead to a loss of protective action. Because bad component placement or poor wire routing can defeat any limiter, placement and routing must be designed carefully and documented thoroughly.

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Transient dynamics simulations: Parallel algorithms for contact detection and smoothed particle hydrodynamics

Hendrickson, Bruce A.

Transient dynamics simulations are commonly used to model phenomena such as car crashes, underwater explosions, and the response of shipping containers to high-speed impacts. Physical objects in such a simulation are typically represented by Lagrangian meshes because the meshes can move and deform with the objects as they undergo stress. Fluids (gasoline, water) or fluid-like materials (earth) in the simulation can be modeled using the techniques of smoothed particle hydrodynamics. Implementing a hybrid mesh/particle model on a massively parallel computer poses several difficult challenges. One challenge is to simultaneously parallelize and load-balance both the mesh and particle portions of the computation. A second challenge is to efficiently detect the contacts that occur within the deforming mesh and between mesh elements and particles as the simulation proceeds. These contacts impart forces to the mesh elements and particles which must be computed at each timestep to accurately capture the physics of interest. In this paper we describe new parallel algorithms for smoothed particle hydrodynamics and contact detection which turn out to have several key features in common. Additionally, we describe how to join the new algorithms with traditional parallel finite element techniques to create an integrated particle/mesh transient dynamics simulation. Our approach to this problem differs from previous work in that we use three different parallel decompositions, a static one for the finite element analysis and dynamic ones for particles and for contact detection. We have implemented our ideas in a parallel version of the transient dynamics code PRONTO-3D and present results for the code running on a large Intel Paragon.

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Information integrity and privacy for computerized medical patient records

Gallegos, Joselyne O.

Sandia National Laboratories and Oceania, Inc. entered into a Cooperative Research and Development Agreement (CRADA) in November 1993 to provide ``Information Integrity and Privacy for Computerized Medical Patient Records`` (CRADA No. SC93/01183). The main objective of the project was to develop information protection methods that are appropriate for databases of patient records in health information systems. This document describes the findings and alternative solutions that resulted from this CRADA.

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PHASER 2.10 methodology for dependence, importance, and sensitivity: The role of scale factors, confidence factors, and extremes

Cooper, James A.

PHASER (Probabilistic Hybrid Analytical System Evaluation Routine) is a software tool that has the capability of incorporating subjective expert judgment into probabilistic safety analysis (PSA) along with conventional data inputs. An earlier report described the PHASER methodology, but only gave a cursory explanation about how dependence was incorporated in Version 1.10 and about how ``Importance`` and ``Sensitivity`` measures were to be incorporated in Version 2.00. A more detailed description is given in this report. The basic concepts involve scale factors and confidence factors that are associated with the stochastic variability and subjective uncertainty (which are common adjuncts used in PSA), and the safety risk extremes that are crucial to safety assessment. These are all utilized to illustrate methodology for incorporating dependence among analysis variables in generating PSA results, and for Importance and Sensitivity measures associated with the results that help point out where any major sources of safety concern arise and where any major sources of uncertainty reside, respectively.

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A progress report on the LDRD project entitled {open_quotes}Microelectronic silicon-based chemical sensors: Ultradetection of high value molecules{close_quotes}

Hughes, Robert C.

This work addresses a new kind of silicon based chemical sensor that combines the reliability and stability of silicon microelectronic field effect devices with the highly selective and sensitive immunoassay. The sensor works on the principle that thin SiN layers on lightly doped Si can detect pH changes rapidly and reversibly. The pH changes affect the surface potential, and that can be quickly determined by pulsed photovoltage measurements. To detect other species, chemically sensitive films were deposited on the SiN where the presence of the chosen analyte results in pH changes through chemical reactions. A invention of a cell sorting device based on these principles is also described. A new method of immobilizing enzymes using Sandia`s sol-gel glasses is documented and biosensors based on the silicon wafer and an amperometric technique are detailed.

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The final LDRD report for the project entitled: {open_quotes}Enhanced analysis of complex gas mixtures by pattern recognition of microsensor array signals{close_quotes}

Hughes, Robert C.

Microsensors do not have the selectivity to chemical species available in large laboratory instruments. This project employed arrays of catalytically gated silicon microsensors with different catalysts to create data streams which can be analyzed by pattern recognition programs. One of the most significant accomplishments of the program was the demonstration of that mixtures of H{sub 2} with the oxidants NO{sub x} and O{sub 2} could distinguished from one another by the use of different catalytic metals on the Sandia Robust Hydrogen (SRH) sensors and the newly developed pattern recognition algorithm. This sensor system could be used to identify explosive gas mixtures and analyze exhaust streams for pollution control.

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MPSalsa a finite element computer program for reacting flow problems. Part 2 - user`s guide

Salinger, Andrew G.

This manual describes the use of MPSalsa, an unstructured finite element (FE) code for solving chemically reacting flow problems on massively parallel computers. MPSalsa has been written to enable the rigorous modeling of the complex geometry and physics found in engineering systems that exhibit coupled fluid flow, heat transfer, mass transfer, and detailed reactions. In addition, considerable effort has been made to ensure that the code makes efficient use of the computational resources of massively parallel (MP), distributed memory architectures in a way that is nearly transparent to the user. The result is the ability to simultaneously model both three-dimensional geometries and flow as well as detailed reaction chemistry in a timely manner on MT computers, an ability we believe to be unique. MPSalsa has been designed to allow the experienced researcher considerable flexibility in modeling a system. Any combination of the momentum equations, energy balance, and an arbitrary number of species mass balances can be solved. The physical and transport properties can be specified as constants, as functions, or taken from the Chemkin library and associated database. Any of the standard set of boundary conditions and source terms can be adapted by writing user functions, for which templates and examples exist.

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Geology of the USW SD-7 drill hole Yucca Mountain, Nevada

Rautman, Christopher A.

The USW SD-7 drill hole is one of several holes drilled under Site Characterization Plan Study 8.3.1.4.3.1, also known as the Systematic Drilling Program, as part of the U.S. Department of Energy characterization program at Yucca Mountain, Nevada. The Yucca Mountain site has been proposed as the potential location of a repository for high-level nuclear waste. The SD-7 drill hole is located near the southern end of the potential repository area and immediately to the west of the Main Test Level drift of the Exploratory Studies Facility. The hole is not far from the junction of the Main Test Level drift and the proposed South Ramp decline. Drill hole USW SD-7 is 2675.1 ft (815.3 m) deep, and the core recovered nearly complete sections of ash-flow tuffs belonging to the lower half of the Tiva Canyon Tuff, the Pah Canyon Tuff, and the Topopah Spring Tuff, all of which are part of the Miocene Paintbrush Group. Core was recovered from much of the underlying Calico Hills Formation, and core was virtually continuous in the Prow Pass Tuff and the Bullfrog Tuff. The SD-7 drill hole penetrated the top several tens of feet into the Tram Tuff, which underlies the Prow Pass and Bullfrog Tuffs. These latter three units are all formations of the Crater Flat Group, The drill hole was collared in welded materials assigned to the crystal-poor middle nonlithophysal zone of the Tiva Canyon Tuff; approximately 280 ft (85 m) of this ash-flow sheet was penetrated by the hole. The Yucca Mountain Tuff appears to be missing from the section at the USW SD-7 location, and the Pah Canyon Tuff is only 14.5 ft thick. The Pah Canyon Tuff was not recovered in core because of drilling difficulties, suggesting that the unit is entirely nonwelded. The presence of this unit is inferred through interpretation of down-hole geophysical logs.

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Monolithically integrated active waveguides and lasers using rare-earth doped spin-on glass

Ashby, C.I.H.; Sullivan, C.T.; Vawter, G.A.

This LDRD program No. 3505.230 explored a new approach to monolithic integration of active waveguides and rare-earth solid state lasers directly onto III-V substrates. It involved selectively incorporating rare-earth ions into spin-on glasses (SOGs) that could be solvent cast and then patterned with conventional microelectronic processing. The patterned, rare-earth spin-on glasses (RESOGs) were to be photopumped by laser diodes prefabricated on the wafer and would serve as directly integrated active waveguides and/or rare-earth solid state lasers.

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Final project report: High energy rotor development, test and evaluation

Sutherland, Herbert J.

Under the auspices of the {open_quotes}Government/Industry Wind Technology Applications Project{close_quotes} [{open_quotes}Letter of Interest{close_quotes} (LOI) Number RC-1-11101], Flo Wind Corp. has successfully developed, tested, and delivered a high-energy rotor upgrade candidate for their 19-meter Vertical Axis Wind Turbine. The project included the demonstration of the innovative extended height-to-diameter ratio concept, the development of a continuous span single-piece composite blade, the demonstration of a continuous blade manufacturing technique, the utilization of the Sandia National Laboratories developed SNLA 2150 natural laminar flow airfoil and the reuse of existing wind turbine and wind power plant infrastructure.

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PHASER user`s manual version 2.10

Roginski, R.J.

PHASER (Probabilistic Hybrid Analytical System Evaluation Routine) is a computer code for solving the top event probability of a system fault tree. It has the capability for easy migration of individual basic event probabilities from a zero-{open_quotes}scale{close_quotes}-factor (completely subjective) state to one in which the analyst has total knowledge (completely stochastic) about each basic event. The code implements a fuzzy algebra solution for subjective data, a probabilistic solution for stochastic data, and a hybrid mathematics solution for data that are partly subjective and partly stochastic. Events that are not completely subjective or completely stochastic are hybrid events and are internally handled as such. The stochastic and fuzzy ranges of uncertainty in the top event probability are also computed for the analyst. These are provided in the form of a fuzzy function for the subjective uncertainty, a probability density function (PDF) for the stochastic variability, and the overall {open_quotes}confidence{close_quotes} factors for the two constituents of uncertainty, giving a complete hybrid result. PHASER interfaces with other Sandia codes (SABLE, LHS and LHSPOST) to assist the user in determining cutsets, and to compute probability density functions.

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Flow calculations for Yucca Mountain groundwater travel time (GWTT-95)

Altman, Susan J.

In 1983, high-level radioactive waste repository performance requirements related to groundwater travel time were defined by NRC subsystem regulation 10 CFR 60.113. Although DOE is not presently attempting to demonstrate compliance with that regulation, understanding of the prevalence of fast paths in the groundwater flow system remains a critical element of any safety analyses for a potential repository system at Yucca Mountain, Nevada. Therefore, this analysis was performed to allow comparison of fast-path flow against the criteria set forth in the regulation. Models developed to describe the conditions for initiation, propagation, and sustainability of rapid groundwater movement in both the unsaturated and saturated zones will form part of the technical basis for total- system analyses to assess site viability and site licensability. One of the most significant findings is that the fastest travel times in both unsaturated and saturated zones are in the southern portion of the potential repository, so it is recommended that site characterization studies concentrate on this area. Results support the assumptions regarding the importance of an appropriate conceptual model of groundwater flow and the incorporation of heterogeneous material properties into the analyses. Groundwater travel times are sensitive to variation/uncertainty in hydrologic parameters and in infiltration flux at upper boundary of the problem domain. Simulated travel times are also sensitive to poorly constrained parameters of the interaction between flow in fractures and in the matrix.

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Parallel processing ITS

Fan, Wesley C.

This report provides a users` guide for parallel processing ITS on a UNIX workstation network, a shared-memory multiprocessor or a massively-parallel processor. The parallelized version of ITS is based on a master/slave model with message passing. Parallel issues such as random number generation, load balancing, and communication software are briefly discussed. Timing results for example problems are presented for demonstration purposes.

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Frictional sliding in layered rock: laboratory-scale experiments

Buescher, B.J.; Perry Jr., K.E.; Epstein, J.S.

The work is part of the rock mechanics effort for the Yucca Mountain Site Characterization Program. The laboratory-scale experiments are intended to provide high quality data on the mechanical behavior of jointed structures that can be used to validate complex numerical models for rock-mass behavior. Frictional sliding between simulated rock joints was studied using phase shifting moire interferometry. A model, constructed from stacks of machined and sandblasted granite plates, contained a central hole bore normal to the place so that frictional slip would be induced between the plates near the hole under compressive loading. Results show a clear evolution of slip with increasing load. Since the rock was not cycled through loading- unloading, the quantitative differences between the three data sets are probably due to a ``wearing-in`` effect. The highly variable spatial frequency of the data is probably due to the large grain size of the granite and the stochastic frictional processes. An unusual feature of the evolution of slip with increasing load is that as the load gets larger, some plates seem to return to a null position. Figs, 6 refs.

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Near-surface velocity modeling at Yucca Mountain using borehole and surface records from underground nuclear explosions

Walck, Marianne C.

The Department of Energy is investigating Yucca Mountain, Nevada as a potential site for commercial radioactive waste disposal in a mined geologic repository. One critical aspect of site suitability is the tectonic stability of the repository site. The levels of risk from both actual fault displacements in the repository block and ground shaking from nearby earthquakes are being examined. In particular, it is necessary to determine the expected level of ground shaking at the repository depth for large seismic sources such as nearby large earthquakes or underground nuclear explosions (UNEs). Earthquakes are expected to cause the largest ground motions at the site, however, only underground nuclear explosion data have been obtained at the repository depth level (about 350m below the ground level) to date. In this study we investigate ground motion from Nevada Test Site underground nuclear explosions recorded at Yucca Mountain to establish a compressional velocity model for the uppermost 350m of the mountain. This model is useful for prediction of repository-level ground motions for potential large nearby earthquakes.

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Do-It-Now building maintenance reengineering project

Kadlec, J.

The Do-It-Now (DIN) building maintenance system is proposed to reduce the cost of routine building maintenance and repairs and to improve customer satisfaction with maintenance services. DIN uses a team approach to periodically inspect buildings and provide maintenance services on the spot. It emphasizes communications between the customers and the craftspeople performing the work. The system was designed using a reengineering approach that characterized the existing maintenance work control system, analyzed comparable systems in other DOE laboratories, envisioned an ideal system, and proposed a workable, testable system for initial implementation. At each stage, input was solicited from customer representatives and Facilities management to ensure meeting customer requirements with an implementable system.

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Estimation of the carbon monoxide emissions due to Sandia National Laboratories commuter and on-base traffic for conformity determination

Mcclellan, Yvonne

This report describes the analysis and conclusion of an investigation of the carbon monoxide emissions resulting from Sandia National Laboratories and Department of Energy (DOE) commuter and on-base traffic for the Clean Air Act (CAA) Conformity Determination. Albuquerque/Bernalillo County was classified as a nonattainment area by the Environmental Protection Agency. Nonattainment area is an area which is shown by monitored data or which is calculated by air quality modeling to exceed any National Ambient Air Quality Standard (NAAQS) for the pollutant. Albuquerque/Bernalillo County exceeds the NAAQS for carbon monoxide and ozone. The Conformity Determination was needed to complete the CAA Title V Permitting process for SNL and the DOE. The analysis used the EPA approved MOBILE5a Carbon Monoxide (CO) emissions modeling program. This analysis will provide a baseline for mobile sources to allow Sandia to estimate any future activity and how that activity will impact CO emissions. The General Conformity Rule (AQCR 43) requires that operations which will increase CO emissions in nonattaimnent or maintenance areas such as Bernalillo County undergo conformity analyses to determine whether or not they will impact ambient air quality in the area.

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Use of depleted uranium metal as cask shielding in high-level waste storage, transport, and disposal systems

Yoshimura, Richard H.

The US DOE has amassed over 555,000 metric tons of depleted uranium from its uranium enrichment operations. Rather than dispose of this depleted uranium as waste, this study explores a beneficial use of depleted uranium as metal shielding in casks designed to contain canisters of vitrified high-level waste. Two high-level waste storage, transport, and disposal shielded cask systems are analyzed. The first system employs a shielded storage and disposal cask having a separate reusable transportation overpack. The second system employs a shielded combined storage, transport, and disposal cask. Conceptual cask designs that hold 1, 3, 4 and 7 high-level waste canisters are described for both systems. In all cases, cask design feasibility was established and analyses indicate that these casks meet applicable thermal, structural, shielding, and contact-handled requirements. Depleted uranium metal casting, fabrication, environmental, and radiation compatibility considerations are discussed and found to pose no serious implementation problems. About one-fourth of the depleted uranium inventory would be used to produce the casks required to store and dispose of the nearly 15,400 high-level waste canisters that would be produced. This study estimates the total-system cost for the preferred 7-canister storage and disposal configuration having a separate transportation overpack would be $6.3 billion. When credits are taken for depleted uranium disposal cost, a cost that would be avoided if depleted uranium were used as cask shielding material rather than disposed of as waste, total system net costs are between $3.8 billion and $5.5 billion.

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Bulk and mechanical properties of the Paintbrush tuff recovered from boreholes UE25 NRG-2, 2A, 2B, and 3: Data report

Price, Ronald H.

An integral part of the licensing procedure for the potential nuclear waste repository at Yucca Mountain, Nevada, involves characterization of the in situ rheology for the design and construction of the facility and the emplacement of canisters containing radioactive waste. The data used to model the thermal and mechanical behavior of the repository and surrounding lithologies include dry and saturated bulk densities, average grain density, porosity, compressional and shear wave velocities, elastic moduli, and compressional and tensional fracture strengths. In this study, a suite of experiments was performed on cores recovered from boreholes UE25 NRG-2, 2A, 2B, and 3 drilled in support of the Exploratory Studies Facility (ESF) at Yucca Mountain. The holes penetrated the Timber Mountain tuff and two thermal/mechanical units of the Paintbrush tuff. The thermal/mechanical stratigraphy was defined by Ortiz to group rock horizons of similar properties for the purpose of simplifying modeling efforts. The relationship between the geologic stratigraphy and the thermal/mechanical stratigraphy for each borehole is presented. The tuff samples in this study have a wide range of welding characteristics (usually reflected in sample porosity), and a smaller range of mineralogy and petrology characteristics. Generally, the samples are silicic, ash-fall tuffs that exhibit large variability in their elastic and strength properties.

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Bulk and mechanical properties of the Paintbrush tuff recovered from boreholes UE25 NRG-4 and -5: Data report

Price, Ronald H.

Experimental results are presented for bulk and mechanical properties measurements on specimens of the Paintbrush tuff recovered from boreholes UE25 NRG-4 and -5, at Yucca Mountain, Nevada. Measurements have been performed on three thermal/mechanical units, PTn, TSwl, and TSw2. On each specimen the following bulk properties have been reported: dry bulk density, saturated bulk density, average grain density, and porosity. Unconfined compression to failure, confined compression to failure, and indirect tensile strength tests were performed on selected specimens recovered from the boreholes. In addition, compressional and shear wave velocities were measured on specimens designated for unconfined compression and confined compression experiments. Measurements were conducted at room temperature on nominally water-saturated specimens. The nominal rate for the fracture experiments was 10{sup -5}s{sup -1}.

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Environmental assessment for Sandia National Laboratories/New Mexico offsite transportation of low-level radioactive waste

Lucas, M.

Sandia National Laboratories, New Mexico (SNL/NM) is managed and operated by Sandia Corporation, a Lockheed Martin Company. SNL/NM is located on land owned by the U.S. Department of Energy (DOE) within the boundaries of the Kirtland Air Force Base (KAFB) in Albuquerque, New Mexico. The major responsibilities of SNL/NM are the support of national security and energy projects. Low-level radioactive waste (LLW) is generated by some of the activities performed at SNL/NM in support of the DOE. This report describes potential environmental effects of the shipments of low-level radioactive wastes to other sites.

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East Mountain Area 1995 air sampling results

Deola, Regina A.

Ambient air samples were taken at two locations in the East Mountain Area in conjunction with thermal testing at the Lurance Canyon Burn Site (LCBS). The samples were taken to provide measurements of particulate matter with a diameter less than or equal to 10 micrometers (PM{sub 10}) and volatile organic compounds (VOCs). This report summarizes the results of the sampling performed in 1995. The results from small-scale testing performed to determine the potentially produced air pollutants in the thermal tests are included in this report. Analytical results indicate few samples produced measurable concentrations of pollutants believed to be produced by thermal testing. Recommendations for future air sampling in the East Mountain Area are also noted.

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Hot oiling spreadsheet

Mansure, Arthur J.

One of the most common oil-field treatments is hot oiling to remove paraffin from wells. Even though the practice is common, the thermal effectiveness of the process is not commonly understood. In order for producers to easily understand the thermodynamics of hot oiling, a simple tool is needed for estimating downhole temperatures. Such a tool has been developed that was distributed as a compiled, public-domain-software spreadsheet. That spreadsheet has evolved into an interactive from on the World Wide Web and has been adapted into a Windows{trademark} program by Petrolite, St. Louis MO. The development of such a tools was facilitated by expressing downhole temperatures in terms of analytic formulas. Considerable algebraic work is required to develop such formulas. Also, the data describing hot oiling is customarily a mixture of practical units that must be converted to a consistent set of units. To facilitate the algebraic manipulations and to assure unit conversions are correct, during development parallel calculations were made using the spreadsheet and a symbolic mathematics program. Derivation of the formulas considered falling film flow in the annulus and started from the transient differential equations so that the effects of the heat capacity of the tubing and casing could be included. While this approach to developing a software product does not have the power and sophistication of a finite element or difference code, it produces a user friendly product that implements the equations solved with a minimum potential for bugs. This allows emphasis in development of the product to be placed on the physics.

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Lattice and off-lattice side chain models of protein folding: Linear time structure prediction better than 86% of optimal

Hart, William E.

This paper considers the protein structure prediction problem for lattice and off-lattice protein folding models that explicitly represent side chains. Lattice models of proteins have proven extremely useful tools for reasoning about protein folding in unrestricted continuous space through analogy. This paper provides the first illustration of how rigorous algorithmic analyses of lattice models can lead to rigorous algorithmic analyses of off-lattice models. The authors consider two side chain models: a lattice model that generalizes the HP model (Dill 85) to explicitly represent side chains on the cubic lattice, and a new off-lattice model, the HP Tangent Spheres Side Chain model (HP-TSSC), that generalizes this model further by representing the backbone and side chains of proteins with tangent spheres. They describe algorithms for both of these models with mathematically guaranteed error bounds. In particular, the authors describe a linear time performance guaranteed approximation algorithm for the HP side chain model that constructs conformations whose energy is better than 865 of optimal in a face centered cubic lattice, and they demonstrate how this provides a 70% performance guarantee for the HP-TSSC model. This is the first algorithm in the literature for off-lattice protein structure prediction that has a rigorous performance guarantee. The analysis of the HP-TSSC model builds off of the work of Dancik and Hannenhalli who have developed a 16/30 approximation algorithm for the HP model on the hexagonal close packed lattice. Further, the analysis provides a mathematical methodology for transferring performance guarantees on lattices to off-lattice models. These results partially answer the open question of Karplus et al. concerning the complexity of protein folding models that include side chains.

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Results 94401–94600 of 99,299
Results 94401–94600 of 99,299