Publications

Computer modeling of Chemical Vapor Deposition (CVD) reactors can greatly aid in the understanding, design, and optimization of these complex systems. Modeling is particularly attractive in these systems since the costs of experimentally evaluating many design alternatives can be prohibitively expensive, time consuming, and even dangerous, when working with toxic chemicals like Arsine (AsH{sub 3}): until now, predictive modeling has not been possible for most systems since the behavior is three-dimensional and governed by complex reaction mechanisms. In addition, CVD reactors often exhibit large thermal gradients, large changes in physical properties over regions of the domain, and significant thermal diffusion for gas mixtures with widely varying molecular weights. As a result, significant simplifications in the models have been made which erode the accuracy of the models` predictions. In this paper, the authors will demonstrate how the vast computational resources of massively parallel computers can be exploited to make possible the analysis of models that include coupled fluid flow and detailed chemistry in three-dimensional domains. For the most part, models have either simplified the reaction mechanisms and concentrated on the fluid flow, or have simplified the fluid flow and concentrated on rigorous reactions. An important CVD research thrust has been in detailed modeling of fluid flow and heat transfer in the reactor vessel, treating transport and reaction of chemical species either very simply or as a totally decoupled problem. Using the analogy between heat transfer and mass transfer, and the fact that deposition is often diffusion limited, much can be learned from these calculations; however, the effects of thermal diffusion, the change in physical properties with composition, and the incorporation of surface reaction mechanisms are not included in this model, nor can transitions to three-dimensional flows be detected.

This paper documents an investigation of approaches to improving the quality of Pro/Engineer-created solid model data for use by downstream applications. The investigation identified a number of sources of problems caused by deficiencies in Pro/Engineer`s geometric engine, and developed prototype software capable of detecting many of these problems and guiding users towards simplified, useable models. The prototype software was tested using Sandia production solid models, and provided significant leverage in attacking the simplification problem.

The CONTAIN 2.0 computer code is an integrated analysis tool used for predicting the physical conditions, chemical compositions, and distributions of radiological materials inside a containment building following the release of material from the primary system in a light-water reactor accident. It can also predict the source term to the environment. CONTAIN 2.0 is intended to replace the earlier CONTAIN 1.12, which was released in 1991. The purpose of this Code Manual is to provide full documentation of the features and models in CONTAIN 2.0. Besides complete descriptions of the models, this Code Manual provides a complete description of the input and output from the code. CONTAIN 2.0 is a highly flexible and modular code that can run problems that are either quite simple or highly complex. An important aspect of CONTAIN is that the interactions among thermal-hydraulic phenomena, aerosol behavior, and fission product behavior are taken into account. The code includes atmospheric models for steam/air thermodynamics, intercell flows, condensation/evaporation on structures and aerosols, aerosol behavior, and gas combustion. It also includes models for reactor cavity phenomena such as core-concrete interactions and coolant pool boiling. Heat conduction in structures, fission product decay and transport, radioactive decay heating, and the thermal-hydraulic and fission product decontamination effects of engineered safety features are also modeled. To the extent possible, the best available models for severe accident phenomena have been incorporated into CONTAIN, but it is intrinsic to the nature of accident analysis that significant uncertainty exists regarding numerous phenomena. In those cases, sensitivity studies can be performed with CONTAIN by means of user-specified input parameters. Thus, the code can be viewed as a tool designed to assist the knowledge reactor safety analyst in evaluating the consequences of specific modeling assumptions.

This report provides a summary of the Pulser In a Chip 9000-Discretionary LDRD. The program began in January of 1997 and concluded in September of 1997. The over-arching goal of this LDRD is to study whether laser diode triggered photoconductive semiconductor switches (PCSS) can be used to activate electro-optic devices such as Q-switches and Pockels cells and to study possible laser diode/switch integration. The PCSS switches we used were high gain GaAs switches because they can be triggered with small amounts of laser light. The specific goals of the LDRD were to demonstrate: (1) that small laser diode arrays that are potential candidates for laser-switch integration will indeed trigger the PCSS switch, and (2) that high gain GaAs switches can be used to trigger optical Q-switches in lasers such as the lasers to be used in the X-1 Advanced Radiation Source and the laser used for direct optical initiation (DOI) of explosives. The technology developed with this LDRD is now the prime candidate for triggering the Q switch in the multiple lasers in the laser trigger system of the X-1 Advanced Radiation Source and may be utilized in other accelerators. As part of the LDRD we developed a commercial supplier. To study laser/switch integration we tested triggering the high gain GaAs switches with: edge emitting laser diodes, vertical cavity surface emitting lasers (VCSELs), and transverse junction stripe (TJS) lasers. The first two types of lasers (edge emitting and VCSELs) did activate the PCSS but are harder to integrate with the PCSS for a compact package. The US lasers, while easier to integrate with the switch, did not trigger the PCSS at the US laser power levels we used. The PCSS was used to activate the Q-switch of the compact laser to be used in the X-1 Advanced Radiation Source.

During November/96 to April/97 Sandia National Laboratories provided consulation, data collection, analysis and project documentation to the U.S. Army for a series of four geothermal exploratory slimholes drilled on the McGregor Range approximately 25 miles north of El Paso, Texas. This drilling was directed toward evaluating a potential reservoir for geothermal power generation in this area, with a secondary objective of assessing the potential for direct use applications such as space heating or water de-salinization. This report includes: representative temperature logs from the wells; daily drilling reports; a narrative account of the drilling and testing; a description of equipment used; a summary and preliminary interpretation of the data; and recommendations for future work.

The WCEDS prototype software system was developed to investigate the usefulness of waveform correlation methods for CTBT monitoring. The WCEDS prototype performs global seismic event detection and has been used in numerous experiments. This report documents the software system design, presenting an overview of the system operation, describing the system functions, tracing the information flow through the system, discussing the software structures, and describing the subsystem services and interactions. The effectiveness of the software design in meeting project objectives is considered, as well as opportunities for code refuse and lessons learned from the development process. The report concludes with recommendations for modifications and additions envisioned for regional waveform-correlation-based detector.

This report presents a detailed analysis of the results from fatigue studies of wind turbine blade composite materials carried out at Montana State University (MSU) over the last seven years. It is intended to be used in conjunction with the DOE/MSU composite Materials Fatigue Database. The fatigue testing of composite materials requires the adaptation of standard test methods to the particular composite structure of concern. The stranded fabric E-glass reinforcement used by many blade manufacturers has required the development of several test modifications to obtain valid test data for materials with particular reinforcement details, over the required range of tensile and compressive loadings. Additionally, a novel testing approach to high frequency (100 Hz) testing for high cycle fatigue using minicoupons has been developed and validated. The database for standard coupon tests now includes over 4,100 data points for over 110 materials systems. The report analyzes the database for trends and transitions in static and fatigue behavior with various materials parameters. Parameters explored are reinforcement fabric architecture, fiber content, content of fibers oriented in the load direction, matrix material, and loading parameters (tension, compression, and reversed loading). Significant transitions from good fatigue resistance to poor fatigue resistance are evident in the range of materials currently used in many blades. A preliminary evaluation of knockdowns for selected structural details is also presented. The high frequency database provides a significant set of data for various loading conditions in the longitudinal and transverse directions of unidirectional composites out to 10{sup 8} cycles. The results are expressed in stress and strain based Goodman Diagrams suitable for design. A discussion is provided to guide the user of the database in its application to blade design.

An efficient method is presented for calculation of RMS von Mises stresses from stress component transfer functions and the Fourier representation of random input forces. An efficient implementation of the method calculates the RMS stresses directly from the linear stress and displacement modes. The key relation presented is one suggested in past literature, but does not appear to have been previously exploited in this manner.

This study is the second phase in a combined analytical and experimental effort to characterize and improve the ride quality of the Department of Energy tractor/trailer. The discussion includes a brief overview of the finite element model of the vehicle and experimental road and modal test results. A novel system identification approach is used, employing both lab-based modal tests, and modal data derived using the Natural Excitation Technique (NExT), a scheme that utilizes the roadway surface as a natural forcing function. The use of a cab isolation system is investigated with the computer model for purposes of improving the ride quality of the vehicle. To validate these analytical predictions, an engineering prototype vehicle was developed, which included a cab isolation system, to experimentally assess ride quality. Ride quality improvements due to the addition of the isolation system are then assessed both experimentally and analytically, and the results are compared.

The predictive modeling of vibration of many structural systems is crippled by an inability to predictively model the mechanics of joints. The lack of understanding of joint dynamics is evidenced by the substantial uncertainty of joint compliances in the numerical models and by the complete inability to predict joint damping. The lore is that at low amplitudes, joint mechanics are associated with Coulomb friction and stick-slip phenomena and that at high amplitudes, impact processes result in dissipation as well as shift of energy to other frequencies. Inadequate understanding of the physics precludes reliable predictions. In this introductory work, joint compliance is studied in both a numerical and experimental setting. A simple bolted interface is used as the test article and compliance is measured for the joint in both compression and in tension. This simple interface is shown to exhibit a strong non-linearity near the transition from compression to tension (or vice-versa). Modeling issues pertaining to numerically solving for the compliance are addressed. It is shown that the model predicts the experimental strains and compliance fairly well. It will be seen that the joint behavior is a mechanical analogy to a diode. In compression, the joint is very stiff, acting almost as a rigid link, while in tension the joint is soft, acting as a soft spring. Although there have been many other studies performed on bolted joints, the variety of joint geometries has demonstrated large variations in behavior. This study is an attempt to quantify the behavior of typical joints found in today`s weapon systems.

Cl{sub 2}-based Inductively Coupled Plasmas with low additional dc self- biases(-100V) produce convenient etch rates(500-1500 A /min) for GaN, AlN, InN, InAlN and InGaN. A systematic study of the effects of additive gas(Ar, N{sub 2}, H{sub 2}), discharge composition and ICP source power and chuck power on etch rate and surface morphology has been performed. The general trends are to go through a maximum in etch rate with percent Cl{sub 2} in the discharge for all three mixtures, and to have an increase(decrease) in etch rate with source power(pressure). Since the etching is strongly ion-assisted, anisotropic pattern transfer is readily achieved. Maximum etch selectivities of approximately 6 for InN over the other nitrides were obtained.

This paper describes a modular approach for computing redundant robot kinematics. First some conventional redundant control methods are presented and shown to be `passive control laws`, i.e. they can be represented by a network consisting of passive elements. These networks are then put into modular form by applying scattering operator techniques. Additional subnetwork modules can then be added to further shape the motion. Modules for obstacle detection, joint limit avoidance, proximity sensing, and for imposing nonlinear velocity constraints are presented. The resulting redundant robot control system is modular, flexible and robust.

This paper describes a modeling technique for single-agent reactive systems, that is influenced by the modeling paradigm of Parnas as well as by the synchronous paradigms of LUSTRE and ESTEREL. In this paradigm, single-agent reactive systems are modeled in a universe having a discrete clock. This discretization of time greatly reduces the temporal complexity of the model. According to the author, the advantage of this reduction in temporal complexity is that the resulting model is in many ways better suited to automated software construction and analysis techniques (e.g., deductive synthesis, transformation, and verification) than models that are based on continuous representations of time.

Effective management of DOE`s transportation operations requires better data than are currently available, a more integrated management structure for making transportation decisions, and decision support tools to provide needed analysis capabilities. This paper describes a vision of an advanced logistics management system for DOE, and the rationale for developing improved modeling and simulation capability as an integral part of that system. The authors illustrate useful types of models through four examples, addressing issues of transportation package allocation, fleet sizing, routing/scheduling, and emergency responder location. The overall vision for the advanced logistics management system, and the specific examples of potential capabilities, provide the basis for a conclusion that such a system would meet a critical DOE need in the area of radioactive material and waste transportation.

Sandia was presented with an opportunity in 1993 to design containers for the long term storage and transport of fissile material. This program was undertaken at the direction of the US Department of Energy and in cooperation with Lawrence Livermore National Laboratory and Los Alamos National Laboratory which were tasked with developing the internal fixturing for the contents. The hardware is being supplied by Allied Signal Federal Manufacturing and Technologies, and the packaging will occur at Mason and Hangar Corporation`s Pantex Plant. The unique challenge was to design a container that could be sealed with the fissile material contents; and, anytime during the next 50 years, the container could be transported with only the need for the pre-shipment leak test. This required not only a rigorous design capable of meeting the long term storage and transportation requirements, but also resulted in development of a surveillance program to ensure that the container continues to perform as designed over the 50-year life. This paper addresses the design of the container, the testing that was undertaken to demonstrate compliance with US radioactive materials transport regulations, and the surveillance program that has been initiated to ensure the 50-year performance.

The authors propose a general technique called solution decomposition to devise approximation algorithms with provable performance guarantees. The technique is applicable to a large class of combinatorial optimization problems that can be formulated as integer linear programs. Two key ingredients of the technique involve finding a decomposition of a fractional solution into a convex combination of feasible integral solutions and devising generic approximation algorithms based on calls to such decompositions as oracles. The technique is closely related to randomized rounding. The method yields as corollaries unified solutions to a number of well studied problems and it provides the first approximation algorithms with provable guarantees for a number of new problems. The particular results obtained in this paper include the following: (1) The authors demonstrate how the technique can be used to provide more understanding of previous results and new algorithms for classical problems such as Multicriteria Spanning Trees, and Suitcase Packing. (2) They show how the ideas can be extended to apply to multicriteria optimization problems, in which they wish to minimize a certain objective function subject to one or more budget constraints. As corollaries they obtain first non-trivial multicriteria approximation algorithms for problems including the k-Hurdle and the Network Inhibition problems.

The Waste Isolation Pilot Plant (WIPP) Compliance Certification Application (CCA) Performance Assessment (PA) used a relational database that was originally designed only to supply the input parameters required for implementation of the PA codes. Reviewers used the database as a point of entry to audit quality assurance measures for control, traceability, and retrievability of input information used for analysis, and output/work products. During these audits it became apparent that modifications to the architecture and scope of the database would benefit the EPA regulator and other stakeholders when reviewing the recertification application. This paper contains a discussion of the WPP PA CCA database and lessons learned for designing a database.

When implementing a Quality Assurance (QA) program, compliance and cost must be balanced. A QA program must be developed that hits the mark in terms of adequate control and documentation, but does not unnecessarily expand resources. As the Waste Isolation Pilot Plant (WIPP) has moved towards certification, Sandia National Laboratories has learned much about balancing compliance and costs. Some of these lessons are summarized here.

The Yucca Mountain Project conducted a Single Heater Test (SHT) in the Exploratory Studies Facility at Yucca Mountain. During the nine month-long heating phase, approximately 4 m{sup 3} of in situ, fractured, 92% saturated, welded tuff was heated to temperatures above 100 C by a 5 m long, 3.8 kW, horizontal, line heater. In this paper, the thermal data collected during the test (Sandia National Laboratories, 1997) are compared to three numerical simulations (Sobolik et al., 1996) in order to gain insight into the coupled thermal-hydrologic processes. All three numerical simulations rely on the Equivalent Continuum Model (ECM) for reasons of computational efficiency. The ECM assumes that the matrix and the fractures are in thermodynamic equilibrium which allows the thermal and hydrologic properties of the matrix and the fractures to be combined into single, bulk values. The three numerical simulations differ only in their bulk permeabilities and are referred to as the High, Low and Matrix Permeability Models, respectively. In the Matrix Permeability Model, the system behaves as an unfractured porous medium with the properties of the rock matrix.

Movement of water through fractures plays an important role in performance assessments of the potential high-level nuclear waste repository at Yucca Mountain, Nevada. The magnitude and frequency of water flowing through individual fractures impacts predictions of the near-field environment and waste-package corrosion. Discrete fracture flow paths, referred to as ``weeps``, have been derived from dual continuum models of fracture flow. The required parameters include the geometric fracture spacing, an assumed width of each weep, and a scaling factor that accounts for reduced flow between fracture and matrix elements in dual continuum models. The formulation provides a convenient means to determine discrete weep spacing and flow rates that are mathematically consistent with the dual continuum model. Specific applications and examples related to seepage into drifts are also discussed.

This paper presents simulations of unsaturated groundwater flow and radionuclide transport at Yucca Mountain using the numerical codes TOUGH2 and FEHM. The simulations test the proposed methodology for coupling flow and transport in the upcoming Total Systems Performance Assessment and Viability Assessment (TSPA-VA). The simulations also reveal the sensitivity of transport results to different weighting schemes for hydraulic conductivities used in liquid flux calculations. Results indicate that coupling TOUGH2 and FEHM is a viable method for simulating flow and transport at Yucca Mountain when a modified upstream weighting scheme is used to simulate the flow fields.

The Russian-US joint program on the safety of nuclear materials was initiated in response to the 1993 Tomsk-7 accident. The bases for this program are the common technical issues confronting the US and Russia in the safe management of excess weapons grade nuclear materials. The US and Russian weapons dismantlement process is producing hundreds of tons of excess Pu and HEU fissile materials. The US is on a two path approach for disposition of excess Pu: (1) use Pu in existing reactors and/or (2) immobilize Pu in glass or ceramics followed by geologic disposal. Russian plans are to fuel reactors with excess Pu. US and Russia are both converting and blending HEU into LEU for use in existing reactors. Fissile nuclear materials storage, handling, processing, and transportation will be occurring in both countries for tens of years. A table provides a history of the major events comprising the Russian-US joint program on the safety of nuclear materials. A paper delineating program efforts was delivered at the SPECTRUM '96 conference. This paper provides an update on program activities since then.

Direct metal deposition technologies produce complex, near net shape components from CAD solid models. Most of these techniques fabricate a component by melting powder in a laser weld pool, rastering this weld bead to form a layer, and additively constructing subsequent layers. Powder feed material in these processes results in near net shape, high strength components, with the ability to blend materials for novel properties. This talk will describe a new direct metal deposition process, known as 3DWire, whereby a small diameter wire is used instead of powder as the feed material to fabricate components. This allows for faster deposition rates, smoother surface finishes, and easy material handling. Currently, parts are being fabricated from 308L stainless steel and Aermet{reg_sign} 100. Microscopy studies show the 3DWire parts to be fully dense with fine microstructural features. Initial mechanical tests show stainless steel parts to have good strength values ({sigma}{sub y} = 58 ksi, {sigma}{sub ult} = 95 ksi, 87 HRB) with retained ductility (65%).

This paper presents a model developed for predicting the mechanical response of inelastic media with heterogeneous microstructure. Particular emphasis is given to the development of microstructural damage along grains. The model is developed within the concepts of continuum mechanics, with special emphasis on the development of internal boundaries in the continuum by utilizing fracture mechanics-based cohesive zone models. In addition, the grains are assumed to be characterized by nonlinear viscoplastic material behavior. Implementation of the model to a finite element computational algorithm is also briefly described, and example solutions are obtained. Finally, homogenization procedures are discussed for obtaining macroscopic damage dependent mechanical constitutive equations that may then be utilized to construct a well-posed boundary value problem for the macroscopically homogenized damage dependent medium.

Rigid polyurethane foams are frequently used as encapsulants to isolate and support thermally sensitive components within weapon systems. When exposed to abnormal thermal environments, such as fire, the polyurethane foam decomposes to form products having a wide distribution of molecular weights and can dominate the overall thermal response of the system. Mechanical response of the decomposing foam, such as thermal expansion under various loading conditions created by gas generation, remains a major unsolved problem. A constitutive model of the reactive foam is needed to describe the coupling between mechanical response and chemical decomposition of foam exposed to environments such as fire. Towards this end, a reactive elastic-plastic constitutive model based on bubble mechanics describing nucleation, decomposition chemistry, and elastic/plastic mechanical behavior of rigid polyurethane foam has been developed. A local force balance, with mass continuity constraints, forms the basis of the constitutive model requiring input of temperature and the fraction of the material converted to gas. This constitutive model provides a stress-strain relationship which is applicable for a broad class of reacting materials such as explosives, propellants, pyrotechnics, and decomposing foams. The model is applied to a block of foam exposed to various thermal fluxes. The model is also applied to a sphere of foam confined in brass. The predicted mechanical deformation of the foam block and sphere are shown to qualitatively agree with experimental observations.

Determination of product species, equations-of-state (EOS) and thermochemical properties of high explosives and pyrotechnics remains a major unsolved problem. Although, empirical EOS models may be calibrated to replicate detonation conditions within experimental variability (5--10%), different states, e.g. expansion, may produce significant discrepancy with data if the basic form of the EOS model is incorrect. A more physically realistic EOS model based on intermolecular potentials, such as the Jacobs Cowperthwaite Zwisler (JCZ3) EOS, is needed to predict detonation states as well as expanded states. Predictive capability for any EOS requires a large species data base composed of a wide variety of elements. Unfortunately, only 20 species have known JCZ3 molecular force constants. Of these 20 species, only 10 have been adequately compared to experimental data such as molecular scattering or shock Hugoniot data. Since data in the strongly repulsive region of the molecular potential is limited, alternative methods must be found to deduce force constants for a larger number of species. The objective of the present study is to determine JCZ3 product species force constants by using a corresponding states theory. Intermolecular potential parameters were obtained for a variety of gas species using a simple corresponding states technique with critical volume and critical temperature. A more complex, four parameter corresponding state method with shape and polarity corrections was also used to obtain intermolecular potential parameters. Both corresponding state methods were used to predict shock Hugoniot data obtained from pure liquids. The simple corresponding state method is shown to give adequate agreement with shock Hugoniot data.

Sandia embarked on its first exercise in corporate strategic planning during the winter of 1989. The results of that effort were disseminated with the publication of Strategic Plan 1990. Four years later Sandia conducted their second major planning effort and published Strategic Plan 1994. Sandia`s 1994 planning effort linked very clearly to the Department of Energy`s first strategic plan, Fueling a Competitive Economy. It benefited as well from the leadership of Lockheed Martin Corporation, the management and operating contractor. Lockheed Martin`s corporate success is founded on visionary strategic planning and annual operational planning driven by customer requirements and technology opportunities. In 1996 Sandia conducted another major planning effort that resulted in the development of eight long-term Strategic Objectives. Strategic Plan 1997 differs from its predecessors in that the robust elements of previous efforts have been integrated into one comprehensive body. The changes implemented so far have helped establish a living strategic plan with a stronger business focus and with clear deployment throughout Sandia. The concept of a personal line of sight for all employees to this strategic plan and its objectives, goals, and annual milestones is becoming a reality.

A buckling calculation procedure based on the method of quadratic components is presented. Recently developed for simulating the motion of rotating flexible structures, the method of quadratic components is shown to be applicable to buckling problems with either conservative or nonconservative loads. For conservative loads, stability follows from the positive definiteness of the system`s stiffness matrix. For nonconservative loads, stability is determined by solving a nonsymmetric eigenvalue problem, which depends on both the stiffness and mass distribution of the system. Buckling calculations presented for a cantilevered beam are shown to compare favorably with classical results. Although the example problem is fairly simple and well-understood, the procedure can be used in conjunction with a general-purpose finite element code for buckling calculations of more complex systems.

The Waste Isolation Pilot Plant (WIPP) in southeast New Mexico has been studied as a transuranic waste repository for the past 23 years. During this time, an extensive site characterization, design, construction, and experimental program was completed to provide in-depth understanding of the dominant processes that are most likely to influence the containment of radionuclides for 10,000 years. The success of the program, however, is defined by the regulator in the context of compliance with performance criteria, rather than by the in-depth technical understanding typical of most scientific programs. The WIPP project was successful in making a transformation from science to compliance by refocusing and redirecting programmatic efforts toward the singular goal of meeting regulatory compliance requirements while accelerating the submittal of the Compliance Certification Application (CCA) by two months from the April 1994 Disposal Decision Plan (DDP) date of December 1996, and by reducing projected characterization costs by more than 40%. This experience is unparalleled within the radioactive waste management community and has contributed to numerous lessons learned from which the entire community can benefit.

The Waste Isolation Pilot Plant (WIPP) in southeast New Mexico has been studied as a transuranic waste repository for the past 23 years. During this time, an extensive site characterization, design, construction, and experimental program was completed, which provided in-depth understanding of the dominant processes that are most likely to influence the containment of radionuclides for 10,000 years. Nearly 1,500 parameters were developed using information gathered from this program; the parameters were input to numerical models for WIPP Compliance Certification Application (CCA) Performance Assessment (PA) calculations. The CCA probabilistic codes frequently require input values that define a statistical distribution for each parameter. Developing parameter distributions begins with the assignment of an appropriate distribution type, which is dependent on the type, magnitude, and volume of data or information available. The development of the parameter distribution values may require interpretation or statistical analysis of raw data, combining raw data with literature values, scaling of lab or field data to fit code grid mesh sizes, or other transformation. Parameter development and documentation of the development process were very complicated, especially for those parameters based on empirical data; they required the integration of information from Sandia National Laboratories (SNL) code sponsors, parameter task leaders (PTLs), performance assessment analysts (PAAs), and experimental principal investigators (PIs). This paper, Part 1 of two parts, contains a discussion of the parameter development process, roles and responsibilities, and lessons learned. Part 2 will discuss parameter documentation, traceability and retrievability, and lessons learned from related audits and reviews.

The Waste Isolation Pilot Plant (WIPP) in southeast New Mexico has been studied as a transuranic waste repository for the past 23 years. During this time, an extensive site characterization, design, construction, and experimental program was completed, which provided in depth understanding of the dominant processes that are most likely to influence the containment of radionuclides for 10,000 years. Nearly 1,500 parameters were developed using information gathered from this program and were input to numerical models for WIPP Compliance Certification Application (CCA) Performance Assessment (PA) calculations. The CCA probability models require input parameters that are defined by a statistical distribution. Developing parameters begins with the assignment of an appropriate distribution type, which is dependent on the type, magnitude, and volume of data or information available. Parameter development may require interpretation or statistical analysis of raw data, combining raw data with literature values, scaling laboratory or field data to fit code grid mesh sizes, or other transformations. Documentation of parameter development is designed to answer two questions: What source information was used to develop this parameter? and Why was this particular data set/information used? Therefore, complete documentation requires integrating information from code sponsors, parameter task leaders, performance assessment analysts, and experimental principal investigators. This paper, Part 2 of 2 parts, contains a discussion of the WIPP CCA PA Parameter Tracking System, document traceability and retrievability, and lessons learned from related audits and reviews.

The design of an effective physical protection system (PPS) includes the determination of the PPS objectives, the initial design of a PPS, the evaluation of the design, and probably, the redesign or refinement of the system. To develop the objectives, the designer must begin by gathering information about facility operation and conditions, such as a comprehensive description of the facility, operating conditions, and the physical protection requirements. The designer then needs to define the threat. This involves considering factors about potential adversaries: class of adversary, adversary`s capabilities, and range of adversary`s tactics. Next, the designer should identify targets. Determination of whether or not the materials being protected are attractive targets is based mainly on the ease or difficulty of acquisition and desirability of the material. The designer now knows the objectives of the PPS, that is, ``what to protect against whom.`` The next step is to design the system by determining how best to combine such elements as fences, vaults, sensors and assessment devices, entry control devices, communication devices, procedures, and protective force personnel to meet the objectives of the system. Once a PPS is designed, it must be analyzed and evaluated to ensure it meets the PPS objectives. Evaluation must allow for features working together to ensure protection rather than regarding each feature separately. Due to the complexity of the protection systems, an evaluation usually requires modeling techniques. If any vulnerabilities are found, the initial system must be redesigned to correct the vulnerabilities and a reevaluation conducted. After the system is installed, the threat and system parameters may change with time. If they do, the analysis must be performed periodically to ensure the system objectives are still being met.

A split Hopkinson bar technique has been developed to evaluate the performance of accelerometers that measure large amplitude pulses. An evaluation of this technique has been conducted in the Mechanical Shock Laboratory at Sandia National Laboratories (SNL) to determine its use in the practical calibration of accelerometers. This evaluation consisted of three tasks. First, the quartz crystal was evaluated in a split Hopkinson bar configuration to evaluate the quartz gage`s sensitivity and frequency response at force levels of 18,000, 35,000 and 53,000 N at ambient temperature, {minus}48 C and +74 C. Secondly, the fly away technique was evaluated at shock amplitudes of 50,000, 100,000, 150,000 and 200,000 G (1 G = 9.81 m/s{sup 2}) at ambient temperature, {minus}48 C and +74 C. Lastly, the technique was performed using a NIST calibrated reference accelerometer. Comparisons of accelerations calculated from the quartz gage data and the measured acceleration data have shown very good agreement. Based on this evaluation, the authors expect this split Hopkinson fly away technique to be certified by the SNL Primary Standards Laboratory.

Many dynamical systems tested in the field and the laboratory display significant nonlinear behavior. Accurate characterization of such systems requires modeling in a nonlinear framework. One construct forming a basis for nonlinear modeling is that of the artificial neural network (ANN). However, when system behavior is complex, the amount of data required to perform training can become unreasonable. The authors reduce the complexity of information present in system response measurements using decomposition via canonical variate analysis. They describe a method for decomposing system responses, then modeling the components with ANNs. A numerical example is presented, along with conclusions and recommendations.

Sandia National Laboratories and Tracor Applied Sciences have developed a proof-of-concept Expert System for the automatic detection and diagnosis of several important problems in geothermal drilling. The system is designed to detect loss of circulation, influx, loss of pump efficiency, and sensor problems. Data from flow sensors (including the rolling float meter), the pump stroke counter and other sensors are processed and examined for deviations from expected patterns. The deviations from expected patterns. The deviations are transformed into evidence for a Bayesian Network (a probabilistic reasoning tool), which estimates the probability of each fault. The results are displayed by a Graphical User Interface, which also allows the user to see data related to a specific fault. The prototype was tested on real data, and successfully detected and diagnosed faults.

This paper presents the results of tests performed on a variety of electrochemical microactuators and arrays of these actuators fabricated in the SUMMiT process at the U.S. Department of Energy`s Sandia National Laboratories. These results are intended to aid designers of thermally actuated mechanisms, and they apply to similar actuators made in other polysilicon MEMS processes such as the MUMPS process. Measurements include force and deflection versus input power, maximum operating frequency, effects of long term operation, and ideal actuator and array geometries for different applications` force requirements. Also, different methods of arraying these actuators together are compared. It is found that a method using rotary joints, enabled by the advanced features of the SUMMiT fabrication process, is the most efficient array design. The design and operation of a thermally actuated stepper motor is explained to illustrate a useful application of these arrays.

The response of a system containing an energetic material (EM) to an abnormal thermal environment is termed cookoff. To predict the violence of reaction of confined energetic materials during cookoff requires a description of the relevant physical processes that occur on time scales Ranging from days to submicroseconds. The time-to-ignition can be characterized accurately using heat transfer with chemistry and quasistatic mechanics. After ignition the energetic material deflagrates on a millisecond time scale. During this time the mechanical processes become dynamic. If the confinement survives burning then accelerated deflagration can lead to shock formation and deflagration to detonation transition. The focus of this work is the dynamic combustion regime in the millisecond time domain. Due to the mathematical stiffness of the chemistry equations and the prohibitively fine spatial resolution requirements needed to resolve the structure of the flame, an interface tracking approach is used to propagate the burn front. Demonstrative calculations are presented that illustrate the dynamic interaction of the deflagrating energetic material with its confinement.

A high consequence system is often defined as one in which the potential exists for severe or catastrophic accidents. Familiar examples include nuclear power plants, airline and other mass transportation, dams and reservoirs, and large-scale food processing. Many manufacturing systems also qualify as high consequence systems. Much of the authors` experience with high consequence systems derives from work associated with the surveillance and dismantlement of nuclear weapons for the US Department of Energy. With such operations, there exists a risk of high explosive detonation accompanied by radiological dispersal and, potentially, nuclear detonation. Analysis of major industrial accidents such as Three Mile Island, Chernobyl and Bhopal have revealed that these incidents were not attributable to a single event or direct cause, but were the result of multiple factors that combined to create a condition ripe for an accident. In each case, human error was a critical factor contributing to the accident. Consequently, many authors have emphasized the need for greater appreciation of systematic factors and in particular, human activities. This paper discusses approaches used in hazard analysis of US nuclear weapons operations to assess risk associated with human factors.

The authors report on an integrated program to understand the fundamentals of LiMn{sub 2}O{sub 4} performance as a cathode for lithium ion rechargeable batteries. Specifically, this program is designed to address the effects of doping on the crystal chemistry, lattice constants, and electrochemical performance. The work is being expanded to include studies on LiCoO{sub 2} and LiNiO{sub 2}.

The authors conducted experiments that monitored the response of heated, confined energetic materials in both fixed-volume and fixed-load configurations. They studied a variety of HMX-based materials, looking at the effects of particle size and binders. The {beta}-{delta} phase transition near 170 C led to a more reactive state. Materials that underwent complete transition in the fixed-load experiments (allowed to expand fully to accommodate the 5% volume increase) cooked off faster than those in the fixed-volume configuration.

International relations are often devoted to establishing agreements that define, control, or regulate issues of potential conflict or dispute. These agreements span a full range of national and international issues from human rights to resource allocations and national security. The scope of these agreements can vary from bilateral arrangements to global treaties or control regimes. In many cases, elements of the agreement are monitored to verify compliance or increase confidence among parties that the terms of the agreement are being met. This article outlines options for cooperation on the Korean peninsula that could build confidence and reduce tension. The role of monitoring technology in helping to implement such agreements is also described.

The Federal Aviation Administration`s Airworthiness Assurance NDI Validation Center (AANC) and the Center for Aviation Systems Reliability (CASR) are currently working to develop a liquid penetrant inspection (LPI) system evaluation capability that will support the needs of the penetrant manufacturers, commercial airline industry and the FAA. The main focus of this facility is to support the evaluation of penetrant inspection materials, penetrant systems and to apply resources to support industry needs. This paper discusses efforts to create such a facility and an initial project to produce fatigue crack specimens for evaluation of Type 1 penetrant sensitivities.

One role of the Intelligent Robotics and System Center (ISRC) at Sandia National Laboratories is to address certain aspects of Sandia`s mission to design, manufacture, maintain, and dismantle nuclear weapon components. Hazardous materials, devices, and environments are often involved. Because of shrinking resources, these tasks must be accomplished with a minimum of prototyping, while maintaining high reliability. In this paper, the authors describe simulation, off-line programming/planning, and related tools which are in use, under development, and being researched to solve these problems at the ISRC.

A technique is presented to simultaneously diffuse boron and phosphorus in silicon, and grow an in-situ passivating oxide in a single furnace step. It is shown that limited solid doping sources made from P and B Spin-On Dopant (SOD) films can produce optimal n{sup +} and p{sup +} profiles simultaneously without the deleterious effects of cross doping. A high quality passivating oxide is grown in-situ beneath the thin ({approximately} 60 {angstrom}) diffusion glass, resulting in low J{sub o} values below 100 fA/cm{sup 2} for transparent ({approximately} 100 {Omega}/{open_square}) phosphorus and boron diffusions. For the first time it is shown that impurities present in the boron SOD film can be effectively filtered out by employing separate source wafers, resulting in bulk lifetimes in excess of 1 ms for the sample wafers. The degree of lifetime degradation in the sources is related to the gettering efficiency of boron in silicon. This novel simultaneous diffusion, in-situ oxidation, impurity filtering and gettering technique was successfully used to produce 20.3% Fz, and 19.1% Cz solar cells, in one furnace step.

A survey of US system integrators, charge controller manufacturers, and battery manufacturers was conducted in 1996 to determine market and application trends. This survey was sponsored by the USDOE. Results from 21 system integrators show a 1995 PV battery sales of $4.76 million. Using the survey results, a top down market analysis was conducted with a total predicted US battery market of $34.7 million and a world wide market of US $302 million. The survey also indicated that 71% (of dollars) were spent on VRLA and 29% on flooded lead-acid batteries. Eighty percent of charge controllers were ON-OFF, vs. PWM or constant voltage.

The Department of Energy (DOE) national laboratories have one of the longest and most consistent histories of supercomputer use. The authors summarize the architecture of DOE`s new supercomputers that are being built for the Accelerated Strategic Computing Initiative (ASCI). The authors then argue that in the near future scaled-down versions of these supercomputers with petaflop-per-weekend capabilities could become widely available to hundreds of research and engineering departments. The availability of such computational resources will allow simulation of physical phenomena to become a full-fledged third branch of scientific exploration, along with theory and experimentation. They describe the ASCI and other supercomputer applications at Sandia National Laboratories, and discuss which lessons learned from Sandia`s long history of supercomputing can be applied in this new setting.

Composite doublers are gaining popularity for their ability to repair and reinforce commercial aircraft structures and it is anticipated that the potential cost savings may spur wider use of this technology. But before composite doublers can be accepted by the civil aviation industry, inspection techniques must be developed to verify the integrity of the doubler and the parent material under the doubler. The Federal Aviation Administration Airworthiness Assurance NDI Validation Center (AANC) is currently developing test methods to inspect aircraft structures under composite doublers using low kilovoltage radiography. This paper documents the radiographic techniques developed by the AANC which have been found to give the best contrast of the radiographic image with reduced image distortion.

In this report, a study of wave propagation and damping in a fluid loaded Flexural Plate Wave (FPW) sensor is presented. Previous to this study, it was believed that supersonic radiation was the dominate mechanism of loss in FPW devices. However, because no previous theory had been developed to explain finite length effects, this belief was never challenged. In this paper, it will be shown that the dominate mechanism of damping is not only due to supersonic radiation, but is also due to a fluid/structure resonance arising from finite length effects. The two-dimensional equations of motion for a single port FPW sensor plate are derived and coupled to the equations of motion for a viscous Newtonian fluid. These coupled equations are solved by using a wave number transform approach. This approach captures dynamics due to source terms at infinity. The resulting solution is comprised of terms derived by Wenzel, plus additional terms representing diffracted wave dynamics. The displacement field above the plate is then determined by using the Helmholtz integral equation.

In 1995, Salt River Project (SRP), a public power utility located in Phoenix, Arizona, collaborated with the Electric Power Research Institute (EPRI) and Sandia National Laboratories (Sandia) to initiate a photovoltaic (PV) power system with battery energy storage to match PV output with residential customer peak energy demand periods. The PV power system, a 2.4kW PV array with 25.2kWh of energy storage, was designed and installed by Southwest Technology Development Institute (SWTDI) at an SRP-owned facility, known as the Chandler Research House during August 1995. This paper presents an overview of the system design, operation and performance. 3 refs., 2 figs., 2 tabs.

The Ministry of the Russian Federation for Atomic Energy (MINATOM) and the US Department of Energy (DOE) are engaged in joint, cooperative efforts to reduce the likelihood of nuclear proliferation by enhancing Material Protection, Control and Accounting (MPC&A) systems in both countries. Mayak Production Association (MPA) is a major Russian nuclear enterprise within the nuclear complex that is operated by MINATOM. This paper describes the nature, scope, and status of the joint, cooperative efforts to enhance existing MPC&A systems at MPA. Current cooperative efforts are focused on enhancements to the existing MPC&A systems at four plants that are operated by MPA and that produce, process, handle and/or store proliferation-sensitive nuclear materials.

PV hybrid electric power systems can offer an economically competitive alternative to engine generator (genset) systems in many off-grid applications. Besides the obvious `green` advantages of producing less noise and emissions, the PV hybrid can, in some cases, offer a lower life-cycle cost (LCC) then the genset. This paper evaluates the LCC of the 9.6 kWp PV hybrid power system installed by the National Park Services (NPS) at Pinnacles National Monument, CA. NPS motivation for installation of this hybrid was not based on economics, but rather the need to replace two aging diesel gensets with an alternative that would be quieter, fuel efficient, and more in keeping with new NPS emphasis on sustainable design and operations. In fact, economic analysis shows a lower 20-year LCC for the installed PV hybrid than for simple replacement of the two gensets. The analysis projects are net savings by the PV hybrid system of $83,561 and over 162,000 gallons of propane when compared with the genset-only system. This net savings is independent of the costs associated with environmental emissions. The effects of including emissions costs, according to NPS guidelines, is also discussed. 5 refs., 2 figs., 3 tabs.

This document describes the results of the Comprehensive Test Ban Treaty (CTBT) Infrasound Prototype Development Test and Evaluation (DT&E). During DT&E the infrasound prototype was evaluated against requirements listed in the System Requirements Document (SRD) based on the Conference on Disarmament/Ad Hoc Committee on a Nuclear Test Ban/Working Papers 224 and 283 and the Preparatory Commission specifications as defined in CTBT/PC/II/1/Add.2, Appendix X, Table 5. The evaluation was conducted during a two-day period, August 6-7, 18997. The System Test Plan (STP) defined the plan and methods to test the infrasound prototype. Specific tests that were performed are detailed in the Test Procedures (TP).

The results of the investigation of retention and thermal desorption of hydrogen isotopes of B{sub 4}C coated RGT (a recrystallized graphite with high thermal conductivity, 600 W/mK) after the exposure to high heat flux in the divertor strike point region of DIII-D using the DiMES sample exchange system are reported. It is shown that the material is very promising for plasma facing elements of tokamaks.

Neutron reflection is used to examine the structure of an epoxy near an interface. Variations in both the density and the crosslink density within the interphase region are examined. The density is increased near the interface relative to that in the bulk of the film, but the crosslink density over the same region is reduced relative to that in the bulk of the film. These observations are interpreted via packing of the resin oligamers next to the wall, which leads to an increased density and also inhibits the crosslinking reaction. The effect is more pronounced the more slowly the resin is cured. Significant variations in reflectivity are observed with thermal cycling, which indicate an increase in the size of the interfacial layer of excess toluene. However, data for samples with greater number of thermal cycles are required to determine the relation of this effect to the fracture process.

SEMATECH was established in 1987 for defense and economic reasons to help the U.S. regain a competitive posture in semiconductor manufacturing. For 10 years SEMATECH was jointly funded by the federal government and semiconductor manufacturing companies representing 85 percent of the U.S. semiconductor industry. SEMATECH has spent about 80 percent of these funds on activities intended to produce useful results between 1 and 3 years. Very early in the establishment of SEMATECH, its members determined that their first priority would be to strengthen their U.S. based suppliers of semiconductor manufacturing equipment. This has been the primary thrust of SEMATECH. SEMATECH first held some 30 workshops on a broad set of technical topics to assess the needs and opportunities to help the industry recover. These workshops scoped manufacturing areas where SEMATECH should focus. These early meetings were an early form of what later came to be termed roadmapping. The scope of R&D needs identified in these workshops well exceeded what SEMATECH could hope to accomplish with its $200 million annual budget. Wayne Johnson of Sandia participated in five of these workshops and used the knowledge gained as the basis for proposals later submitted to SEMATECH on behalf of Sandia. In the fall of 1989 the SETEC program was established at Sandia to support SEMATECH. This was initially a funds-in, work-for-others project that was fully funded by SEMATECH. Thus, the early work was entirely focused on SEMATECH`s needs. Later in the program when SEMATECH funds were supplemented by Department of Energy Cooperative Research and Development funds, attention was given to how this project would benefit Sandia`s defense microelectronics program.

This paper presents an analysis of how the US government responded to the concern in the 1980`s that US companies were experiencing problems of competitiveness in international markets. By the mid 1980`s there was great and growing concern throughout the US that US companies were experiencing difficulties in international competition. Pressure on Congress to take action came from constituents seeking jobs and companies that would directly benefit (this usually means receive public money) from programs that Congress might initiate. The fact that most constituent calls to Congress were about job creation was lost in the on-rush of R&D performers seeking funds for their favorite R&D project. In response, Congress created the Advanced Technology Program, the Technology Transfer Initiative, and the Technology Reinvestment Project, expanded the responsibilities of ARPA/DARPA, increased funding for the Small Business Initiative, expanded the Manufacturing Extension Partnership, funded SEMATECH, and increased NSF funding for basic research at universities. Many of these programs were later criticized for being industrial welfare and several were cut-back or stopped. Retrospective analysis shows that few of these programs addressed the root cause of competitiveness difficulties. In fact, by the time most of these programs were in place, US companies were well on their way to correcting their competitiveness problems. In addition, few were relevant to companies` often expressed concerns about workforce training, regulatory costs, and access to foreign markets. Twenty percent reductions in health care costs, regulatory costs, and education costs could annually pump $500 billion into the US economy and make companies operating in the US much more competitive in international markets.

The papers in this Faraday Discussion represent the state-of-the-art in using acoustic devices to measure the properties of thin films and interfaces. Sauerbrey first showed that the mass sensitivity of a quartz crystal could be used to measure the thickness of vacuum-deposited metals. Since then, significant progress has been made in understanding other interaction mechanisms between acoustic devices and contacting media. Bruckenstein and Shay and Kanazawa and Gordon showed that quartz resonators could be operated in a fluid to measure surface mass accumulation and fluid properties. The increased understanding of interactions between acoustic devices and contacting media has allowed new information to be obtained about thin films and interfaces. These closing remarks will summarize the current state of using acoustic techniques to probe thin films and interfaces, describe the progress reported in this Faraday Discussion, and outline some remaining problems. Progress includes new measurement techniques, novel devices, new applications, and improved modeling and data analysis.

Efforts to optimize the design of mechanical systems for preestablished use environments and to extend the durations of use cycles establish a need for in-service health monitoring. Numerous studies have proposed measures of structural response for the identification of structural damage, but few have suggested systematic techniques to guide the decision as to whether or not damage has occurred based on real data. Such techniques are necessary because in field applications the environments in which systems operate and the measurements that characterize system behavior are random. This paper investigates the use of artificial neural networks (ANNs) to identify damage in mechanical systems. Two probabilistic neural networks (PNNs) are developed and used to judge whether or not damage has occurred in a specific mechanical system, based on experimental measurements. The first PNN is a classical type that casts Bayesian decision analysis into an ANN framework; it uses exemplars measured from the undamaged and damaged system to establish whether system response measurements of unknown origin come from the former class (undamaged) or the latter class (damaged). The second PNN establishes the character of the undamaged system in terms of a kernel density estimator of measures of system response; when presented with system response measures of unknown origin, it makes a probabilistic judgment whether or not the data come from the undamaged population. The physical system used to carry out the experiments is an aerospace system component, and the environment used to excite the system is a stationary random vibration. The results of damage identification experiments are presented along with conclusions rating the effectiveness of the approaches.

Many nuclear power plants use instrument and control systems based on analog electronics. The state of the art in process control and instrumentation has advanced to use digital electronics and incorporate advanced technology. This technology includes distributed microprocessors, fiber optics, intelligent systems (neural networks), and advanced displays. The technology is used to optimize processes and enhance the man-machine interface while maintaining control and safety of the processes. Nuclear power plant operators have been hesitant to install this technology because of the cost and uncertainty in the regulatory process. This technology can be directly applied in an operating nuclear power plant provided a surety principle-based {open_quotes}administrator{close_quotes} hardware system is included in parallel with the upgrade Sandia National Laboratories has developed a rigorous approach to High Consequence System Surety (HCSS). This approach addresses the key issues of safety, security, and control while satisfying requirements for reliability and quality. HCSS principles can be applied to nuclear power plants in a manner that allows the off-the-shelf use of process control instrumentation while maintaining a high level of safety and enhancing the plant performance. We propose that an HCSS administrator be constructed as a standardized approach to address regulatory issues. Such an administrator would allow a plant control system to be constructed with commercially available, state-of-the-art equipment and be customized to the needs of the individual plant operator.

Given the complex geometry of most wind turbine blades, structural modeling using the finite element method is generally performed using a unique model for each particular blade analysis. Development time (often considerable) spent creating a model for one blade may not aid in the development of a model for a different blade. In an effort to reduce model development time and increase the usability of advanced finite element analysis capabilities, a new software tool, NuMAD, is being developed.

If there should be an accident involving drainage of all the water from a spent fuel pool, the fuel elements will heat up until the heat produced by radioactive decay is balanced by that removed by natural convection to air, thermal radiation, and other means. If the temperatures become high enough for the cladding or other materials to ignite due to rapid oxidation, then some of the fuel might melt, leading to an undesirable release of radioactive materials. The amount of melting is dependent upon the fuel loading configuration and its age, the oxidation and melting characteristics of the materials, and the potential effectiveness of recovery actions. The authors have developed methods for modeling the pertinent physical phenomena and integrating the results with a probabilistic treatment of the uncertainty distributions. The net result is a set of complementary cumulative distribution functions for the amount of fuel melted.

A freeform fabrication technique for dense ceramics and composites has been developed. The technique requires less than 2 volume percent of organic additives and relies on the principle of layerwise deposition of highly loaded colloidal slurries. Components can be manufactured into complex geometries with thick solid sections as well as with thin-walled sections with high aspect ratios. Process feasibility and quality is dependent on the processing parameters of solids loading, slurry rheology, deposition rate, and drying rate. These interrelated parameters must be controlled so that sintering defects are prevented and shape tolerance is maintained. A review of this freeform fabrication technique, called robocasting, will be discussed for fabrication of aluminum oxide parts. Recent developments for a finite element analysis technique for modeling the drying process will also be presented.

Using molecular beam epitaxy (MBE) and lattice engineering techniques, the feasibility of combining photonic devices applicable to the 1.3 to 1.55 {micro}m wavelength range and monolithic microwave (or mm-wave) integrated circuits (MMICs) on GaAs is demonstrated. A key factor in the MBE growth is incorporation of an InGaAs active layer having an indium arsenide mole fraction of 0.35 or greater and its lattice compatibility with the underlying semi-insulating GaAs substrate. The InGaAs layer used for the photonic devices, can also serve as the active channel for the high electron mobility transistors (HEMTs) for application in MMICs. Several examples of active and passive photonic devices grown by MBE are presented including an optical ridge waveguide, and a photodetector for detection of light in the 1.3 {micro}m range. The material structure includes a 3-layer AlGaAs/GaAs/AlGaAs optical waveguide and a thin InGaAs absorbing layer situated directly above the optical waveguide. Metal-semiconductor-metal (MSM) photodetectors are formed on the top surface of the InGaAs layer for collection of the photo-induced carriers. The optical ridge waveguide is designed for lateral incidence of the light to enhance the MSM photodetector responsivity. Initial measurements on the optical waveguide and photodetector are presented.

The purpose of this project is to develop and extend the electron beam joining process to applications related to Mo/Al{sub 2}O{sub 3} cermets for neutron tube fabrication, glass seals for flat panel displays, and ceramics for structural applications. The key issue is the identification of the allowable operating ranges that produce thermal conditions favorable to robust joining and sealing. High strength, hermetic braze joints between ceramic components have been produced using high energy electron beams. With a penetration depth into a typical ceramic of {approximately} 1 cm for a 10 MeV electron beam, this method provides the capability for rapid, transient brazing operations where temperature control of heat sensitive components is essential. The method deposits energy directly into a buried joint, allowing otherwise inaccessible interfaces to be brazed. The combination of transient heating, with higher thermal conductivity, lower heat capacity, and lower melting temperature of braze metals relative to the ceramic materials, enables a pulsed high power beam to melt a braze metal without producing excessive ceramic temperatures. The authors have demonstrated the feasibility of this process related to ceramic coupons a well as ceramic and glass tubes and cylindrical shapes. The transient thermal response was predicted, using as input the energy absorption predicted from the coupled electron-photon and thermal transport analysis. The joining experiments were conducted with an RF linear accelerator at 10--13 MV. Joining experiments have provided high strength joints between alumina and alumina and between alumina and cermet joints in cylindrical geometry. These joints provided good hermetic seals.

Intense pulsed high-power ion beams have been demonstrated to produce enhanced surface properties by changes in microstructure caused by rapid heating and cooling of the surface. Additional improvements can be effected by the mixing of a previously deposited thin-film layer (surface alloying or ion beam mixing) into any number of substrate materials. The authors have conducted surface treatment and alloying experiments with Al, Fe, and Ti-based metals on the RHEPP-1 accelerator (0.8 MV, 20 W, 80 ns FHWM, up to 1 Hz repetition rate) at Sandia National Laboratories. Ions are generated by the MAP gas-breakdown active anode, which can yield a number of different beam species including H, N, and Xe, depending upon the injected gas. Enhanced hardness and wear resistance have been produced by treatment of 440C stainless steel, and by the mixing of Pt into Ti-6Al-4V alloy. Mixing of a thin-film Hf layer into Al 6061-T6 alloy (Al-1.0Mg-0.6Si) has improved its corrosion resistance by as much as four orders of magnitude in electrochemical testing, compared with untreated and uncoated Al6061. Experiments are ongoing to further understand the microstructural basis for these surface improvements.

The Hardware Design Document (HDD) describes the various hardware components used in the Comprehensive Test Ban Treaty (CTBT) Infrasound Prototype and their interrelationships. It divides the infrasound prototype into hardware configurations items (HWCIs). The HDD uses techniques such as block diagrams and parts lists to present this information. The level of detail provided in the following sections should be sufficient to allow potential users to procure and install the infrasound system. Infrasonic monitoring is a low cost, robust, and effective technology for detecting atmospheric explosions. Low frequencies from explosion signals propagate to long ranges (few thousand kilometers) where they can be detected with an array of sensors.

In this paper we describe a new method for creating three-dimensional images using pairs of synthetic aperture radar (SAR) images obtained from a unique collection geometry. This collection mode involves synthetic apertures that have a common center. In this sense the illumination directions for the two SAR images are the same, while the slant planes are at different spatial orientations. The slant plane orientations give rise to cross-range layover (fore-shortening) components in the two images that are of equal magnitude but opposite directions. This differential cross-range layover is therefore proportional to the elevation of a given target, which is completely analogous to the situation in stereo optical imaging, wherein two film planes (corresponding to the two slant planes) result in elevation-dependent parallax. Because the two SAR collections are coherent in this particular collection mode, the images have the same speckle patterns throughout. As a result, the images may be placed into stereo correspondence via calculation of correlations between micro-patches of the complex image data. The resulting computed digital stereo elevation map can be quite accurate. Alternatively, an analog anaglyph can be displayed for 3-D viewing, avoiding the necessity of the stereo correspondence calculation.

Chromium-contaminated soil is a common environmental problem in the United States as a result of numerous industrial processes involving chromium. Hexavalent chromium [Cr(VI)] is the species of most concern because of its toxicity and mobility in groundwater. One method of diminishing the environmental impact of chromium is to reduce it to a trivalent oxidation state [Cr(III)], in which it is relatively insoluble and nontoxic. This study investigated a stabilization and solidification process to minimize the chromium concentration in the Toxicity Characteristic Leaching Procedure (TCLP) extract and to produce a solidified waste form with a compressive strength in the range of 150 to 300 pounds per square inch (psi). To minimize the chromium in the TCLP extract, the chromium had to be reduced to the trivalent oxidation state. The average used in this study was an alluvium contaminated with chromic and sulfuric acid solutions. The chromium concentration in the in the in situ soil was 1212 milligrams per kilogram (mg/kg) total chromium and 275 mg/kg Cr(VI). The effectiveness of iron, ferrous sulfate to reduce Cr(VI) was tested in batch experiments.

The temperature, curing, and filler dependencies of the viscosities of common epoxies used at Sandia encapsulants are presented along with examples of useful applications.

Butyl rubber, unfortunately, has pronounced nonlinear viscoelastic behavior, which may be modelled by a separable KBKZ formalism. While these effects seem to have minimal impact on accelerated sealing force measurements, they do severely impact compression set tests. Therefore, a new test is suggested for evaluating field-return o-rings which is free from such confounding effects.

This report describes the results of a Sandia-funded laboratory-directed research and development project titled {open_quotes}Integrated and Robust Security Infrastructure{close_quotes} (IRSI). IRSI was to provide a broad range of commercial-grade security services to any software application. IRSI has two primary goals: application transparency and manageable public key infrastructure. IRSI must provide its security services to any application without the need to modify the application to invoke the security services. Public key mechanisms are well suited for a network with many end users and systems. There are many issues that make it difficult to deploy and manage a public key infrastructure. IRSI addressed some of these issues to create a more manageable public key infrastructure.

This report summarizes measured performance of residential geothermal heat pumps (GHP`s) that were installed in family housing units at Ft. Hood, Texas and at Selfridge Air National Guard base in Michigan. These units were built as part of a joint Department of Defense/Department of Energy program to evaluate the energy savings potential of GHP`s installed at military facilities. At the Ft. Hood site, the GHP performance was compared to conventional forced air electric air conditioning and natural gas heating. At Selfridge, the homes under test were originally equipped with electric baseboard heat and no air conditioning. Installation of the GHP systems at both sites was straightforward but more problems and costs were incurred at Selfridge because of the need to install ductwork in the homes. The GHP`s at both sites produced impressive energy savings. These savings approached 40% for most of the homes tested. The low cost of energy on these bases relative to the incremental cost of the GHP conversions precludes rapid payback of the GHP`s from energy savings alone. Estimates based on simple payback (no inflation and no interest on capital) indicated payback times from 15 to 20 years at both sites. These payback times may be reduced by considering the additional savings possible due to reduced maintenance costs. Results are summarized in terms of 15 minute, hourly, monthly, and annual performance parameters. The results indicate that all the systems were working properly but several design shortcomings were identified. Recommendations are made for improvements in future installations at both sites.

Results from simulations of the impact and penetration of tungsten alloy rods into thick rolled armor plates are presented. The calculations were performed with the CTH and ALEGRA computer codes using the DOE massively parallel TFLOPS computer co-developed by Sandia National Laboratory and Intel Corporation. Comparisons with experimental results are presented. Agreement of the two codes with each other and with the empirical results for penetration channel depth and radius is very close. Other shock physics and penetration features are also compared to simulation results.

Analytical models of wind turbine blades have many uncertainties, particularly with composite construction where material properties and cross-sectional dimension may not be known or precisely controllable. In this paper the authors demonstrate how modal testing can be used to estimate important material parameters and to update and improve a finite-element (FE) model of a prototype wind turbine blade. An example of prototype blade is used here to demonstrate how model parameters can be identified. The starting point is an FE model of the blade, using best estimates for the material constants. Frequencies of the lowest fourteen modes are used as the basis for comparisons between model predictions and test data. Natural frequencies and mode shapes calculated with the FE model are used in an optimal test design code to select instrumentation (accelerometer) and excitation locations that capture all the desired mode shapes. The FE model is also used to calculate sensitivities of the modal frequencies to each of the uncertain material parameters. These parameters are estimated, or updated, using a weighted least-squares technique to minimize the difference between test frequencies and predicted results. Updated material properties are determined for axial, transverse, and shear moduli in two separate regions of the blade cross section: in the central box, and in the leading and trailing panels. Static FE analyses are then conducted with the updated material parameters to determine changes in effective beam stiffness and buckling loads.

Natural attenuation is increasingly applied to remediate contaminated soils and ground waters. Roughly 25% of Superfund groundwater remedies in 1995 involved some type of monitored natural attenuation, compared to almost none 5 years ago. Remediation by natural attenuation (RNA) requires clear evidence that contaminant levels are decreasing sufficiently over time, a defensible explanation of the attenuation mechanism, long-term monitoring, and a contingency plan at the very least. Although the primary focus of implementation has to date been the biodegradation of organic contaminants, there is a wealth of scientific evidence that natural processes reduce the bioavailability of contaminant metals and radionuclides. Natural attenuation of metals and radionuclides is likely to revolve around sorption, solubility, biologic uptake and dilution controls over contaminant availability. Some of these processes can be applied to actively remediate sites. Others, such as phytoremediation, are likely to be ineffective. RNA of metals and radionuclides is likely to require specialized site characterization to construct contaminant and site-specific conceptual models of contaminant behavior. Ideally, conceptual models should be refined such that contaminant attenuation can be confidently predicted into the future. The technical approach to RNA of metals and radionuclides is explored here.

During July--November, 1995, Sandia National Laboratories, in cooperation with CE Exploration, drilled a 5,360 feet exploratory slimhole (3.895 inch diameter) in the Newberry Known Geothermal Resource Area (KGRA) near Bend, Oregon. This well was part of Sandia`s program to evaluate slimholes as a geothermal exploration tool. During and after drilling the authors performed numerous temperature logs, and at the completion of drilling attempted to perform injection tests. In addition to these measurements, the well`s data set includes: over 4,000 feet of continuous core (with detailed log); daily drilling reports from Sandia and from drilling contractor personnel; daily drilling fluid record; and comparative data from other wells drilled in the Newberry KGRA. This report contains: (1) a narrative account of the drilling and testing, (2) a description of equipment used, (3) a brief geologic description of the formation drilled, (4) a summary and preliminary interpretation of the data, and (5) recommendations for future work.

Corrosion is a leading material degradation mode observed in many military systems. This report contains a description of a small project that was performed to allow some of the important electrochemical aspects of two distinct and potentially relevant degradation modes to be better understood: environmentally assisted cracking (EAC) of aluminum alloys and corrosion in moist salt. Two specific and respective tasks were completed: (A) the characterization of the effect of aluminum microstructural variability on its susceptibility to EAC, and (B) the development of experimental and analytical techniques that can be used to identify the factors and processes that influence the corrosivity of moist salt mixtures. The resultant information constitutes part of the basis needed to ultimately predict component reliability and/or possibly to identify techniques that could be used to control corrosion in critical components. In Task A, a physical model and related understanding for the relevant degradation processes were formulated. The primary result from Task B included the identification and qualitative validation of a methodology for determining the corrosivity of salt mixtures. A detailed compilation of the results obtained from each of these two diverse tasks is presented separately in the body of this report.

This report describes the creation of three-dimensional numerical models of selected rock-matrix properties for the region of the potential high-level nuclear waste repository site at Yucca Mountain, which is located in southern Nevada. The models have been generated for a majority of the unsaturated and shallow saturated zone within an area referred to within the Yucca Mountain Site Characterization project as the site area. They comprise a number of material properties of importance both to detailed process-level modeling activities and to more summary-style performance assessment modeling. The material properties within these models are both spatially variable (heterogeneous) and spatially correlated, as the rocks are understood from data obtained from site-characterization drill holes widely scattered across the site area.

This report summarizes the investigation and evaluation of several {open_quotes}compact{close_quotes} drill rigs which could be used for drilling geothermal production wells. Use of these smaller rigs would save money by reducing mobilization costs, fuel consumption, crew sizes, and environmental impact. Advantages and disadvantages of currently-manufactured rigs are identified, and desirable characteristics for the {open_quotes}ideal{close_quotes} compact rig are defined. The report includes a detailed cost estimate of a specific rig, and an evaluation of the cost/benefit ratio of using this rig. Industry contacts for further information are given.

During the DOE Onsite Review in August 1996, Sandia`s Executive Vice President formally proposed combining Sandia`s Institutional Plan and Operating Plan, and their associated processes. The Assistant Secretary for Defense Programs subsequently approved a pilot plan to do so. This pilot plan is intended to comply with one of our new strategic objectives (see section 3.7), which entails creating an infrastructure that is a competitive advantage for our strategic missions. Therefore, Sandia`s planning organization integrated the information in the two plans and collected the data with a unified call. These data can not be combined in multiple ways, depending on customer requirements. Recently, executive management revamped Sandia`s Strategic Plan by creating eight new strategic objectives: four primary whats and four supporting hows. The new strategic objectives are set forth in chapters 3 through 5 of this document. The four primary objectives cover nuclear weapons responsibilities, nonproliferation and materials control, energy and critical infrastructures, and emerging national security threats. The major programmatic initiatives in chapter 7 are grouped accordingly. However, the programmatic descriptions in chapter 6 and the associated funding tables in chapter 9 continue to be presented by DOE Budget and Reporting Code, as in previous Sandia institutional plans. As an aid to the reader, the four primary strategic objectives in chapter 3 are cross-referenced to the program information in chapter 6.

This paper describes the method by which Sandia National Laboratories has deployed information technology to the line organizations and to the desktop as part of the integrated information services organization under the direction of the Chief Information officer. This deployment has been done by the Computer Support Unit (CSU) Department. The CSU approach is based on the principle of providing local customer service with a corporate perspective. Success required an approach that was both customer compelled at times and market or corporate focused in most cases. Above all, a complete solution was required that included a comprehensive method of technology choices and development, process development, technology implementation, and support. It is the authors hope that this information will be useful in the development of a customer-focused business strategy for information technology deployment and support. Descriptions of current status reflect the status as of May 1997.

Significant progress has been made over the past year in understanding the chemistry and processing challenges associated with {sup 99}Mo production using Cintichem type targets. Targets fabricated at Los Alamos National Laboratory have been successfully irradiated in fuel element locations at the Annular Core Research Reactor (ACRR) and processed at the Sandia Hot Cell Facility. The next goal for the project is to remove the central cavity experiment tube from the reactor core, allowing for the irradiation of up to 37 targets. After the in-core work is complete, the reactor will be capable of producing significant quantities of {sup 99}Mo.

The Monitoring Systems Technology Center (MSTC) at Sandia National Laboratories has recently upgraded its Satellite Parts Inventory Forms 3.0 application to Developer/2000 for the web. This involved changing from a character based Forms 3.0 system on an HP-UX 9000 database and forms server to a GUI forms 4.5 web- based system on Windows NT 4.0 Forms Serve. The need to migrate the MSTC Satellite Parts Inventory System to a newer supported software environment, that was easy to access and use, and was year 2000 compliant, drove the migration from forms 3.0. This paper will examine the steps of this successful migration to a web environment in detail. The MSTC Satellite Parts Inventory System includes a parts inventory application for inventory management of flight qualified electronic parts. This application tracks parts from receipt to fabrication, including manufacturer information such as lot and date, and quantities data such as lot totals, quantity on order and reorder levels. The system keeps a current count of parts that are used in kitting modules/assemblies for fabrication, does automated picks of the oldest parts, and allows suggested parts to be pulled or put back in stock and the required part pulled in place of the system suggested part. The system also flags and notifies component engineers of parts that fall below a certain level and includes traceability of parts to module record of assembly (ROA), module ROA repairs, drawings definition, CAD queue scheduling, purchase requisition records, and module action and document management.

The ability to model the packing of polymers in melts and blends is important in many polymer applications. One significant application is the development of new polymer blends. It would be exceedingly helpful to the materials chemist if molecular modeling could be employed to predict the thermodynamics and phase behavior of hypothetical polymer alloys before embarking on a time consuming and expensive synthesis program. The well known Flory-Huggins theory has been remarkably successful in describing many aspects of polymer mixing from a qualitative point of view. This theory is known, however, to suffer from several deficiencies which can be traceable to the fact that: (1) it is a lattice model requiring both monomer components to have the same volume; and (2) a mean field or random mixing approximation is made which effectively ignores chain connectivity. Because of these limitations the Flory-Huggins theory does not include packing effects and cannot be used to make quantitative molecular engineering calculations. Recently Curro and Schweizer developed a new approach for treating polymer liquids and mixtures which the authors call PRISM theory. This is an extension to polymers of the Reference Interaction Site Model (RISM Theory) developed by Chandler and Andersen to describe the statistical mechanics of small molecule liquids. The PRISM theory is a continuous space description of a polymer liquid, which includes chain connectivity and nonrandom mixing effects in a computationally tractable manner. The primary output from PRISM calculations is the average structure or packing of the amorphous liquid given by the radial distribution function denoted as g(r). This radial distribution function is employed to deduce thermodynamic or structural properties of interest. Here, the authors describe the theoretical approach and demonstrate its application to polyethylene, isotactic polypropylene, syndiotactic polypropylene, and polyisobutylene liquids and blends.

The magnitudes of accident dose risks calculated by the RADTRAN code depend directly on the time span between an accidental release and evacuation of the affected area surrounding potential radionuclide releases. In a previous study of truck and rail transportation accidents, and other incidents requiring evacuations, a lognormal distribution of evacuation times (time span from decision to evacuate until complete) was developed, which provided a better model for this parameter than the practice of using a highly conservative value of 24 hours. However, the distribution did not account for time required for responders to arrive on the scene, to evaluate the hazards to surrounding population and to initiate an evacuation. Data from US Department of Transportation (DOT) accident statistics have been collected and their distribution functions determined. The separate distribution functions were combined into a single, comprehensive distribution which may be sampled to supply values of the RADTRAN input parameter, EVACUATION. A sample RADTRAN calculation illustrating the effect on risks of using the distribution versus the original (24 hour), conservative point-estimate are also presented.

In the transport of radioactive material (RAM), e.g., spent nuclear fuel (SNF), stakeholders are generally most concerned about risks in high population density areas along transportation routes because of the perceived high consequences of potential accidents. The most significant portions of a transcontinental route and an alternative examined previously were evaluated again using population density data derived from US Census Block data. This method of characterizing population that adjoins route segments offers improved resolution of population density variations, especially in high population density areas along typical transport routes. Calculated incident free doses and accident dose risks for these routes, and the rural, suburban and urban segments are presented for comparison of their relative magnitudes. The results indicate that modification of this route to avoid major metropolitan areas through use of non-Interstate highways increases total risk yet does not eliminate a relatively small urban component of the accident dose risk. This conclusion is not altered by improved resolution of route segments adjoining high density populations.

Severe ship accidents and the probability of radioactive material release from spent reactor fuel casks were investigated previously. Other forms of RAM, e.g., plutonium oxide powder, may be shipped in large numbers of packagings rather than in one to a few casks. These smaller, more numerous packagings are typically placed in ISO containers for ease of handling, and several ISO containers may be placed in one of several holds of a cargo ship. In such cases, the size of a radioactive release resulting from a severe collision with another ship is determined not by the likelihood of compromising a single, robust package but by the probability that a certain fraction of 10`s or 100`s of individual packagings is compromised. The previous analysis involved a statistical estimation of the frequency of accidents which would result in damage to a cask located in one of seven cargo holds in a collision with another ship. The results were obtained in the form of probabilities (frequencies) of accidents of increasing severity and of release fractions for each level of severity. This paper describes an extension of the same general method in which the multiple packages are assumed to be compacted by an intruding ship`s bow until there is no free space in the hold. At such a point, the remaining energy of the colliding ship is assumed to be dissipated by progressively crushing the RAM packagings and the probability of a particular fraction of package failures is estimated by adaptation of the statistical method used previously. The parameters of a common, well characterized packaging, the 6M with 2R inner containment vessel, were employed as an illustrative example of this analysis method. However, the method is readily applicable to other packagings for which crush strengths have been measured or can be estimated with satisfactory confidence.

Even prior to the beginning of the nuclear age, the packaging and transportation of nuclear materials was a prime national concern. Nuclear materials such as uranium and plutonium had to be transported safely (and secretly) to the Manhattan Engineer District Laboratory in Los Alamos, New Mexico. The subsequent post war use of nuclear power for the generation of electricity and accelerated weapons development programs resulted in radioactive waste byproducts, such as spent fuel and plutonium, that were stored on site at utilities and federal weapons sites. While projected repositories for long term storage of radioactive waste are being planned, both low and high level radioactive materials on occasion must be moved safely. Movement to interim storage and, for low level waste, repository sites, is accomplished by a combination of truck, rail, ship, and air. The US Department of Energy (DOE) directs transportation activities including cask development technology for use in single or multimodal (a combination of land, water, and air) transport. In 1978, Sandia National Laboratories was selected as the lead contractor for basic transportation technology. This report is divided into the following topics: (1) early research and development (1936--1978); (2) radioactive material package test (1975--1977); (3) the SNL Transportation Technology Center; (4) TRUPACT-II; (5) beneficial uses of shipping system casks; (6) C-141B drop tests; (7) MIDAS; (8) MOSAIK; (9) SEARAM; (10) PATRAM; and (11) a chronology of transportation activities.

The Radioactive Materials Incident Report (RMIR) database was developed in 1981 at the Transportation Technology Center of Sandia National Laboratories to support its research and development activities for the US Department of Energy (DOE). This database contains information about radioactive materials transportation incidents that have occurred in the US since 1971. These data were drawn from the US Department of Transportation`s (DOT) Hazardous Materials Incident Report system, from Nuclear Regulatory Commission (NRC) files, and from various agencies including state radiological control offices. Support for the RMIR data base is funded by the National Transportation Program (EM-70) of the US Department of Energy. Transportation events in RMIR are classified in one of the following ways: as a transportation accident, as a handling accident, or as a reported incident. This presentation will provide definitions for these classifications and give examples of each. The primary objective of this presentation is to provide information on nuclear materials transportation accident incident events in the US for the period 1971--1997. Among the areas to be examined are: transportation accidents by mode, package response during accidents and an examination of accidents where release of contents has occurred.

Little guidance has been provided by the DOE for developing appropriate Operational Safety Requirements (OSR) for non-nuclear facility safety documents. For a period of time, Chapter 2 of DOE/AL Supplemental Order 5481.lB provided format guidance for non-reactor nuclear facility OSRs when this supplemental order applied to both nuclear and non-nuclear facilities. Thus, DOE Albuquerque Operations Office personnel still want to see non-nuclear facility OSRs in accordance with the supplemental order (i.e., in terms of Safety Limits, Limiting Conditions for Operation, and Administrative Controls). Furthermore, they want to see a clear correlation between the OSRs and the results of a facility safety analysis. This paper demonstrates how OSRs can be rather simply derived from the results of a risk assessment performed using the ``binning`` methodology of SAND95-0320.

An original computational technique to generate close-to-equilibrium dense polymeric structures is proposed. Diffusion of small gases are studied on the equilibrated structures using massively parallel molecular dynamics simulations running on the Intel Teraflops (9216 Pentium Pro processors) and Intel Paragon(1840 processors). Compared to the current state-of-the-art equilibration methods this new technique appears to be faster by some orders of magnitude.The main advantage of the technique is that one can circumvent the bottlenecks in configuration space that inhibit relaxation in molecular dynamics simulations. The technique is based on the fact that tetravalent atoms (such as carbon and silicon) fit in the center of a regular tetrahedron and that regular tetrahedrons can be used to mesh the three-dimensional space. Thus, the problem of polymer equilibration described by continuous equations in molecular dynamics is reduced to a discrete problem where solutions are approximated by simple algorithms. Practical modeling applications include the constructing of butyl rubber and ethylene-propylene-dimer-monomer (EPDM) models for oxygen and water diffusion calculations. Butyl and EPDM are used in O-ring systems and serve as sealing joints in many manufactured objects. Diffusion coefficients of small gases have been measured experimentally on both polymeric systems, and in general the diffusion coefficients in EPDM are an order of magnitude larger than in butyl. In order to better understand the diffusion phenomena, 10, 000 atoms models were generated and equilibrated for butyl and EPDM. The models were submitted to a massively parallel molecular dynamics simulation to monitor the trajectories of the diffusing species.

Under the sponsorship of the U.S. Department of Energy (DOE) Office of Utility Technologies, the Energy Storage Systems Analysis and Development Department at Sandia National Laboratories conducted a series of dialogs with industry regarding the uses and value of storage in stationary applications. The dialogs consisted of meetings with industry executives in which Energy Storage Systems (ESS) Program management solicited input regarding expected changes in the electric utility industry and the long-term research and development in storage technologies and systems that would be most appropriate for the emerging competitive business environment. This report is a compilation of the findings from this Executive Meetings Project.

Since the discovery of piezoresistivity in silicon in the mid 1950s. silicon-based pressure sensors have been widely produced. Micromachining technology has greatly benefited from the success of the integrated circuit industry, borrowing materials, processes, and toolsets. Because of this, microelectromechanical systems (MEMS) are now poised to capture large segments of existing sensor markets and to catalyse the development of new markets. Given the emerging importance of MEMS, it is instructive to review the history of micromachined pressure sensors, and to examine new developments in the field. Pressure sensors will be the locus of this paper, starting from metal diaphragm sensors with bonded silicon strain gauges, and moving to present developments of surface-micromachined, optical, resonant, and smart pressure sensors. Considerations for diaphragm design will be discussed in detail, as well as additional considerations for capacitive and piezoresistive devices. Results from surface-micromachined pressure sensors developed by the authors will be presented. Finally, advantages of micromachined sensors will be discussed.

Non-linear electromagnetic inversion schemes have been developed to produce 2D and 3D images of subsurface conductivity structure from electromagnetic geophysical data. The solutions are obtained by successive linearized model updates where full forward modeling is employed at each iteration to compute model sensitivities and predicted data. Regularization is applied to the problem to provide stability. The use of the inversion is demonstrated on a data set collected with the Apex Parametrics MaxMin I-8S over a section of conductive waste at the Idaho National Laboratory`s Cold Test Pit. The out-of -phase data are of very good quality while the in-phase are rather noisy due to slight mispositioning errors. A resolution study on synthetic data indicates that the error present in the in-phase data causes images of far lower resolution with more artifacts than if the in-phase and out-of-phase components are of similar quality. Better resolution images result if the data are weighted proportional to frequency; this gives each frequency equal importance. The loss of resolution due to poor quality in-phase data is demonstrated in a 3D inversion of the MaxMin data which shows both artifacts forming outside of the area known to contain the buried waste, as well as an inability to resolve depths.

This paper discusses criteria for selecting analytical support tools for manufacturing engineering in the early phases of product development, and the lessons learned at Sandia National Laboratories in selecting and applying these tools. The IPPD (Integrated Product and Process Design) process requires manufacturing process developers to be involved earlier than ever before in product development. Operating in an IPPD environment, Sandia`s manufacturing engineers were required to develop early estimates of the cost and performance of manufacturing plans. In early pre-production, there are very little actual data on manufacturing processes and almost no detailed data on the performance of various manufacturing process steps. The manufacturing engineer needs the capability to analyze various manufacturing process flows over a large set of assumptions involving capacity, resource requirements (equipment, labor, material, utilities,...), yields, product designs, etc. If the manufacturing process involves many process steps, or if there are multiple products in a single manufacturing area that share resources, or there are multiple part starts resulting in merged flow for final assembly, then this analysis capability must somehow be mechanized. This situation led them to look to modeling and simulation tools for a solution. Example analyses of manufacturing issues for two product sets in the early phases of product development are presented.

The electrical and chemical properties of insulators produced by codeposition of siloxane compounds or TEOS with oxygen in a focused ion beam (FIB) system were investigated. Metal-insulator-metal capacitor structures were fabricated and tested. Specifically, leakage current and breakdown voltage were measured and used to calculate the effective resistance and breakdown field. Capacitance measurements were performed on a subset of the structures. It was found that the siloxane-based FIB-insulators had superior electrical properties to those based on TEOS. Microbeam Rutherford backscattering spectrometry analysis and Fourier transform infrared spectroscopy were used to characterize the films and to help understand the differences in electrical behavior as a function of gas chemistry and deposition conditions. Finally, a comparison is made between the results presented here, previous results for FIB-deposited insulators, and typical thermally-grown gate oxides and interlevel dielectric SiO{sub 2} insulators.

In late 1993, the authors` mission expanded from engineering design to also encompass production of neutron generator devices. They completed a gap analysis of the tools needed to support this emerging production assignment and, as a result, introduced a Product Data Management (PDM) system. This implementation includes basic PDM features, Web access, interfaces to the production floor and suppliers, and other utilities. They carefully strategized, piloted and assessed the integration of the PDM system into their business. Their efforts have prepared them to enter the next tier to further integrate their key operational resources to include their external suppliers.

The temperature dependence of the specific contact resistance of W and WSi{sub 0.44} contacts on n{sup +} In{sub 0.65}Ga{sub 0.35}N and InN was measured in the range -50 {degrees}C to 125 {degrees}C. The results were compared to theoretical values for different conduction mechanisms, to further elucidate the conduction mechanism in these contact schemes for all but as-deposited metal to InN where thermionic emission appears to be the dominant mechanism. The contacts were found to produce low specific resistance ohmic contacts to InGaN at room temperature, e{sup c} {approximately} 10{sup -7} {Omega} {center_dot} cm{sup 2} for W and e{sub c} of 4x 10{sup -7} {Omega} {center_dot} cm{sup 2} for WSi{sub x}. InN metallized with W produced ohmic contacts with e{sub c} {approximately} 10{sup -7} {Omega} {center_dot} cm{sup 2} and e{sub c} {approximately} 10{sup -6} {Omega} {center_dot} cm{sup 2} for WSi{sub x} at room temperature.

Our studies of the shock compression response of PVDF polymer are continuing in order to understand the physical properties under shock loading and to develop high fidelity, reproducible, time-resolved dynamic stress gauges. New PVDF technology, new electrode configurations and piezoelectric analysis have resulted in enhanced precision gauges. Our new standard gauges have a precision of better than 1% in electric charge release under shock up to 15 GPa. The piezoelectric response of shock compressed PVDF gauges 1 mm{sup 2} in active area has been studied and yielded well-behaved reproducible data up to 20 GPa. Analysis of the response of these gauges in the {open_quotes}thin mode regime{close_quotes} using a Lagrangian hydrocode will be presented. P(VDF-TrFE) copolymers exhibit unique piezoelectric properties over a wide range of temperature depending on the composition. Their properties and phase transitions are being investigated. Emphasis of the presentation will be on key results and implications.

The wide gap materials SiC, GaN and to a lesser extent diamond are attracting great interest for high power/high temperature electronics. There are a host of device processing challenges presented by these materials because of their physical and chemical stability, including difficulty in achieving stable, low contact resistances, especially for one conductivity type, absence of convenient wet etch recipes, generally slow dry etch rates, the high temperatures needed for implant activation, control of suitable gate dielectrics and the lack of cheap, large diameter conducting and semi-insulating substrates. The relatively deep ionization levels of some of the common dopants (Mg, in GaN; B, Al in SiC; P in diamond) means that carrier densities may be low at room temperature even if the impurity is electrically active - this problem will be reduced at elevated temperature, and thus contact resistances will be greatly improved provided the metallization is stable and reliable. Some recent work with CoSi{sub x} on SiC and W-alloys on GaN show promise for improved ohmic contacts. The issue of unintentional hydrogen passivation of dopants will also be covered - this leads to strong increases in resistivity of p-SiC and GaN, but to large decreases in resistivity of diamond. Recent work on development of wet etches has found recipes for AlN (KOH), while photochemical etching of SiC and GaN has been reported. In the latter cases p-type materials is not etched, which can be a major liability in some devices. The dry etch results obtained with various novel reactors, including ICP, ECR and LE4 will be compared - the high ion densities in the former techniques produce the highest etch rates for strongly-bonded materials, but can lead to preferential loss of N from the nitrides and therefore to a highly conducting surface. This is potentially a major problem for fabrication of dry etched, recessed gate FET structures.

Sandia National Laboratories has developed a systematic approach for achieving high confidence in major products requiring high reliability for use in high-consequence applications. A high-consequence application is one in which product failure could result in significant loss of life, damage to major systems or to the environment, financial loss, or political repercussions. The application of this process has proven to be of significant benefit in the early identification, verification, and correction of potential product design and manufacturing process failure modes. Early identification and correction of these failures modes and the corresponding controls placed on safety-critical features, ensures product adherence to safety-critical design requirements, and enhances product quality, reliability, and the cost effectiveness of delivered products. Safety-critical features include design features such as materials and dimensions, as well as manufacturing features such as assembly processes, inspections, and testing.

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

CONTAIN is a reactor accident simulation code developed by Sandia National Laboratories under US Nuclear Regulatory Commission (USNRC) sponsorship to provide integrated analysis of containment phenomena, including those related to nuclear reactor containment loads and radiological source terms. The recently released CONTAIN 2.0 code version represents a significant advance in CONTAIN modeling capabilities over the last major code release (CONTAIN 1.12V). The new modeling capabilities are discussed here. The principal motivation for many of the recent model improvements has been to allow CONTAIN to model the special features in advanced light water reactor (ALWR) designs. The work done in this area is also summarized. In addition to the ALWR work, the USNRC is currently engaged in an effort to qualify CONTAIN for more general use in licensing, with the intent of supplementing or possibly replacing traditional licensing codes. To qualify the CONTAIN code for licensing applications, studies utilizing CONTAIN 2.0 are in progress. A number of results from this effort are presented in this paper to illustrate the code capabilities. In particular, CONTAIN calculations of the NUPEC M-8-1 and ISP-23 experiments and CVTR test {number_sign}3 are presented to illustrate (1) the ability of CONTAIN to model non-uniform gas density and/or temperature distributions, and (2) the relationship between such gas distributions and containment loads. CONTAIN and CONTEMPT predictions for a large break loss of coolant accident scenario in the San Onofre plant are also compared.

Radiation and Nuclear Safety Authority (STUK), Helsinki, Finland and Sandia National Laboratories (SNL), working under the Finnish Support Program to IAEA Safeguards and the United States Department of Energy (DOE) funded International Remote Monitoring Program (Task FIN E 935), have undertaken a joint effort to demonstrate the use of remote monitoring for environmental air sampling and safeguards applications. The results of the task will be used by the IAEA to identify the feasibility, cost-effectiveness, reliability, advantages, and problems associated with remote environmental monitoring. An essential prerequisite for a reliable remote air sampling system is the protection of samples against tampering. Means must be developed to guarantee that the sampling itself has been performed as designed and the original samples are not substituted with samples produced with other equipment at another site. One such method is to label the samples with an unequivocal tag. In addition, the inspection personnel must have the capability to remotely monitor and access the automated environmental air sampling system through the use of various sensors and video imagery equipment. A unique aspect to this project is the network integration of remote monitoring equipment with a STUK radiation monitoring system. This integration will allow inspectors to remotely view air sampler radiation data and sensor/image data through separate software applications on the same review station. A sensor network and video system will be integrated with the SNL developed Modular Integrated Monitoring System (MIMS) to provide a comprehensive remote monitoring approach for safeguards purposes. This field trial system is being implemented through a multiphase approach for use by STUK, SNL, and for possible future use by the IAEA.

The present paper addresses the question: ``What are the general classes of uncertainty and error sources in complex, computational simulations?`` This is the first step of a two step process to develop a general methodology for quantitatively estimating the global modeling and simulation uncertainty in computational modeling and simulation. The second step is to develop a general mathematical procedure for representing, combining and propagating all of the individual sources through the simulation. The authors develop a comprehensive view of the general phases of modeling and simulation. The phases proposed are: conceptual modeling of the physical system, mathematical modeling of the system, discretization of the mathematical model, computer programming of the discrete model, numerical solution of the model, and interpretation of the results. This new view is built upon combining phases recognized in the disciplines of operations research and numerical solution methods for partial differential equations. The characteristics and activities of each of these phases is discussed in general, but examples are given for the fields of computational fluid dynamics and heat transfer. They argue that a clear distinction should be made between uncertainty and error that can arise in each of these phases. The present definitions for uncertainty and error are inadequate and. therefore, they propose comprehensive definitions for these terms. Specific classes of uncertainty and error sources are then defined that can occur in each phase of modeling and simulation. The numerical sources of error considered apply regardless of whether the discretization procedure is based on finite elements, finite volumes, or finite differences. To better explain the broad types of sources of uncertainty and error, and the utility of their categorization, they discuss a coupled-physics example simulation.

Tritium retention and removal are critical issues for the success of ITER or any DT fusion reactor. The Tokamak Fusion Test Reactor, TFTR, is the first fusion facility to afford the opportunity to study the tritium retention and removal over an extended period. In TFTR, tritium accumulates on all surfaces with line of sight to the plasma by codeposition of tritium with carbon. Measurements of both deuterium and tritium retention fractions have yielded retention between 0.2 and 0.6 of the injected fuel in the torus. Tritium has been successfully removed from TFTR by glow discharge cleaning and by air purges. The in-vessel inventory was reduced by a factor of 2, facilitating machine maintenance. In TFTR, the amount of dust recovered from the TFTR vacuum vessel has varied from several grams to a few kilograms.

The primary purpose of this LDRD was to identify and optimize materials as solid acid catalysts for the replacement of environmentally hazardous liquid acids such as H{sub 2}SO{sub 4} and HF which are used as catalysts in both the petroleum and chemical industries. Liquid acids have significant safety, environmental and engineering difficulties associated with their use in process chemistry. Special equipment/materials need to be used with liquid acids. Hydrofluoric acid poses unique safety problems due to it insipid attack on skin and tissue as well as its tendency to plume and travel long distances as a plume when it is released in the atmosphere. Therefore, any time a solid acid catalyst can be used to replace a liquid acid in a processes step, significant environmental, safety, and financial gains can be realized. The majority of work in this LDRD was performed on novel mixed metal phosphates which are a new solid acid catalyst material. Primarily the model reaction, 2-methyl-2-pentene isomerization, was used to determine acidity. These materials were tested for their activity, their deactivation and their stability. In addition, some of the phosphate materials were synthesized using templates in order to try to form a three dimensional network material from these phosphates. The amorphous sulfated zirconium-titanium phosphates were more acidic, as measured by olefin isomerization, than sulfated zirconia. However, they showed some of the same failings as sulfated zirconia in that they deactivated quickly and lost sulfur in a reducing atmosphere. Certain of the mixed metal phosphates, particularly tantalum-containing phosphates, showed strong acidity compared to sulfated zirconia as measured by olefin isomerization reaction.

No abstract available.

Two field tests of the surface area modulation (SAM) downhole wireless telemetry system were performed at the DOE Rocky Mountain Oilfield Testing Center near Casper, Wyoming in November, 1995 and September, 1996. SAM telemetry involves the introduction of a gap of electrically insulating material in the tubular conductors in the well. The electrical resistance of a switch in this gap can then be modulated to alter the electrical characteristics of a circuit involving the well tubulars. These changes affect the current in the circuit, which is monitored with a surface ammeter. Downhole data are encoded and transmitted to the surface as a pattern of current oscillations. The tests successfully demonstrated the ability of the system to transmit information from depths exceeding 2,000 feet to the surface at up to 2,400 baud.

No abstract available.

The goal of the 6th International Meshing Roundtable is to bring together researchers and developers from industry, academia, and government labs in a stimulating, open environment for the exchange of technical information related to the meshing process. In the pas~ the Roundtable has enjoyed significant participation born each of these groups from a wide variety of countries. The Roundtable will consist of technical presentations from contributed papers and abstracts, two invited speakers, and two invited panels of experts discussing topics related to the development and use of automatic mesh generation tools. In addition, this year we will feature a "Bring Your Best Mesh" competition and poster session to encourage discussion and participation from a wide variety of mesh generation tool users. The schedule and evening social events are designed to provide numerous opportunities for informal dialog. A proceedings will be published by Sandia National Laboratories and distributed at the Roundtable. In addition, papers of exceptionally high quaIity will be submitted to a special issue of the International Journal of Computational Geometry and Applications. Papers and one page abstracts were sought that present original results on the meshing process. Potential topics include but are got limited to: Unstructured triangular and tetrahedral mesh generation Unstructured quadrilateral and hexahedral mesh generation Automated blocking and structured mesh generation Mixed element meshing Surface mesh generation Geometry decomposition and clean-up techniques Geometry modification techniques related to meshing Adaptive mesh refinement and mesh quality control Mesh visualization Special purpose meshing algorithms for particular applications Theoretical or novel ideas with practical potential Technical presentations from industrial researchers.

Applications where O-rings are used to isolate atmospheric environments within a structure are critical to weapon reliability. Failure occurs when gases are able to travel from one side of the O-ring to the other. The anticipated cause of failure is the relaxation of the rubber over decades, the reduction in closure force, and the O-ring`s consequent inability to offer a barrier to gas transport. A predictive model with tractable complexity has been developed to predict the time over which an O-ring is able to maintain an acceptable value of closure force.

Sandia National Laboratories is developing a new technology to fabricate three-dimensional metallic components directly from CAD solid models. This process, called Laser Engineered Net Shaping (LENS{trademark}), exhibits enormous potential to revolutionize the way in which metal parts, such as complex prototypes, tooling, and small lot production parts, are produced. To perform the process, metal powder is injected into a molten pool created by a focused, high powered laser beam. Simultaneously, the substrate on which the deposition is occurring is scanned under the beam/powder interaction zone to fabricate the desired cross-sectional geometry. Consecutive layers are sequentially deposited, thereby producing a three-dimensional metal component.

Present and future space-based applications such as sensors, low-weight and low-power data links for satellites, communication between electromagnetically-shielded modules, and short-distance cross-links within satellite constellations may benefit from the inclusion of small, low-power, and high-efficiency lasers such as the recently-developed Vertical Cavity Surface-Emitting Laser (VCSEL). Many factors influence the application of these devices to space. Temperature response, operational lifetime and reliability, and power consumption are all important considerations for space applications. In addition, the space radiation environments must be considered. In this work, the effects of ionizing radiation on VCSELs are studied with an emphasis on proton damage, and with comparisons to related neutron and gamma-induced phenomena. The influence of proton irradiation is studied in-depth for selected VCSEL structures by the use of an ion microbeam. The experiments indicate that VCSELs exhibit much less threshold current shift for a given radiation dose, compared to the more traditional edge-emitting semiconductor lasers, but that self-heating is a more important consideration for VCSELs. The high current densities associated with VCSELs also lead to a strong influence from forward-bias annealing. These effects are common to various VCSEL types (780 nm and 850 nm) and their magnitude at a given dose is strongly dependent on device size. This indicates that, while VCSELs appear to be very insensitive to ionizing radiation when compared with alternative technologies, there are a number of factors that must be taken into account when optimizing for the space environment.

The number of commercial airframes exceeding twenty years of service continues to grow. In addition, Service Life Extension Programs are attempting to extend the {open_quotes}economic{close_quotes} service life of commercial airframes to thirty years. The use of bonded composites may offer the airframe manufacturers and aircraft maintenance facilities a cost effective method to extend the lives of their aircraft. The Federal Aviation Administration Assurance NDI Validation Center (AANC) to validate the use of bonded composite doublers on commercial aircraft.

For elastomers that will be used in applications involving long lifetimes, it is often necessary to first carry out and model accelerated aging experiments at higher than ambient temperatures, and then extrapolate the results in order to make lifetime predictions at the use temperature. Continuing goals in such endeavors are to better understand potential problems with such modeling approaches and to find ways of improving confidence in the predictions when the data are extrapolated. In this paper we will address several important issues involved in these procedures for elastomers exposed to air (oxygen), and discuss some potentially useful techniques and approaches which can increase confidence in lifetime predictions.

The technology developed in this project uses biometric information printed on the document and public key cryptography to ensure that an adversary cannot issue identification documents to unauthorized individuals or alter existing documents to allow their use by unauthorized individuals. This process can be used to produce many types of identification documents with much higher security than any currently in use. The system is demonstrated using a security badge as an example. This project focused on the technologies requiring development in order to make the approach viable with existing badge printing and laminating technologies. By far the most difficult was the image processing required to verify that the picture on the badge had not been altered. Another area that required considerable work was the high density printed data storage required to get sufficient data on the badge for verification of the picture. The image processing process was successfully tested, and recommendations are included to refine the badge system to ensure high reliability. A two dimensional data array suitable for printing the required data on the badge was proposed, but testing of the readability of the array had to be abandoned due to reallocation of the budgeted funds by the LDRD office.

The very general problem of model reduction of nonlinear systems was made tractable by focusing on the very large subclass consisting of linear subsystems connected by nonlinear interfaces. Such problems constitute a large part of the nonlinear structural problems encountered in addressing the Sandia missions. A synthesis approach to this class of problems was developed consisting of: detailed modeling of the interface mechanics; collapsing the interface simulation results into simple nonlinear interface models; constructing system models by assembling model approximations of the linear subsystems and the nonlinear interface models. These system models, though nonlinear, would have very few degrees of freedom. A paradigm problem, that of machine tool vibration, was selected for application of the reduction approach outlined above. Research results achieved along the way as well as the overall modeling of a specific machine tool have been very encouraging. In order to confirm the interface models resulting from simulation, it was necessary to develop techniques to deduce interface mechanics from experimental data collected from the overall nonlinear structure. A program to develop such techniques was also pursued with good success.

Multivariate calibration methods have been applied extensively to the quantitative analysis of Fourier transform infrared (FT-IR) spectral data. Partial least squares (PLS) methods have become the most widely used multivariate method for quantitative spectroscopic analyses. Most often these methods are limited by model error or the accuracy or precision of the reference methods. However, in some cases, the precision of the quantitative analysis is limited by the noise in the spectroscopic signal. In these situations, the precision of the PLS calibrations and predictions can be improved by the incorporation of weighting in the PLS algorithm. If the spectral noise of the system is known (e.g., in the case of detector-noise-limited cases), then appropriate weighting can be incorporated into the multivariate spectral calibrations and predictions. A weighted PLS (WPLS) algorithm was developed to improve the precision of the analysis in the case of spectral-noise-limited data. This new PLS algorithm was then tested with real and simulated data, and the results compared with the unweighted PLS algorithm. Using near-infrared (NIR) calibration precision when the WPLS algorithm was applied. The best WPLS method improved prediction precision for the analysis of one of the minor components by a factor of nearly 9 relative to the unweighted PLS algorithm.

A laboratory-scale experimental test system for small-scale of shock phenomena has been assembled. This system uses a variety of miniature test platforms in which shock loading is provided by laser-driven flyer impact. Acceptor materials include thin-film explosives and high-density metal foils. Optical access is provided for high-speed optical diagnostics such as optically recording velocity interferometry and single-pulse Raman spectroscopy. The experimental assembly for Raman studies features a common laser source for both flyer generation and excitation of Raman scattering (to achieve high timing precision) and a detection scheme that uses the coupling fiber for the excitation source to collect with high efficiency backscattered Raman light. Preliminary system evaluation experiments indicate that detailed particle velocity studies of the dynamic material properties of high-density metals under short-pulse, high-strain-rate loading can be performed in a miniaturized test configuration. Single-pulse Raman studies on shock compressed thin film explosives also appear feasible if the thickness and grain structure of these films can be tailored to enhance the Raman scattering signal sufficiently. Possible improvements in the experimental design and a number of likely applications of these techniques are also discussed.

The wide gap materials SiC, GaN and to a lesser extent diamond are attracting great interest for high power/high temperature electronics. There are a host of device processing challenges presented by these materials because of their physical and chemical stability, including difficulty in achieving stable, low contact resistances, especially for one conductivity type, absence of convenient wet etch recipes, generally slow dry etch rates, the high temperatures needed for implant activation, control of suitable gate dielectrics and the lack of cheap, large diameter conducting and semi-insulating substrates. The relatively deep ionization levels of some of the common dopants (Mg in GaN; B, Al in SiC; P in diamond) means that carrier densities may be low at room temperature, and thus contact resistances will be greatly improved provided the metallization is stable and reliable. Some recent work with CoSi{sub x} on SiC and W-alloys on GaN show promise for improved ohmic contacts. The issue of unintentional hydrogen passivation of dopants will also be covered - this leads to strong increases in resistivity of p-SiC and GaN, but to large decreases in resistivity of diamond. Recent work on development of wet etches has found recipes for AlN (KOH), while photochemical etching of SiC and GaN has been reported. In the latter cases p-type materials is not etched, which can be a major liability in some devices. The dry etch results obtained with various novel reactors, including ICP, ECR and LE4 will be compared - the high ion densities in the former techniques produce the highest etch rates for strongly-bonded materials, but can lead to preferential loss of N from the nitrides and therefore to a highly conducting surface. This is potentially a major problem for fabrication of dry etched, recessed gate FET structures.

This document is a reference guide for GAETR, Graphical Analysis of Event Trees, a software package developed at Sandia National Laboratories. GAETR may be used as a stand-alone code or as a module in the ARRAMIS{trademark} risk and reliability code suite. GAETR is designed to graphically create event trees and plot SETAC (Sandia Event Tree Analysis Code) output on IBM-compatible personal computers using the Microsoft{reg_sign} Windows{trademark} 95/NT operating environment. This manual explains the fundamentals of creating an event tree, including formatting, saving sequence information, printing, editing, and importing graphics to other software packages.

Experimental results are presented for seven creep experiments on welded specimens of the Paintbrush tuff recovered from borehole USW NRG-7/7A at Yucca Mountain, Nevada. The measurements were performed at differential stresses of 40, 70, 100, and 130 MPa. The confining pressure and temperature for each of the experiments was 10 MPa and 225 {degrees}C respectively. All of the specimens were tested drained, in a room dry condition. All of the experiments were terminated prior to failure. The duration of the experiments range from 2.6 x 10{sup 6} seconds to 5.9 x 10{sup 6} seconds. Creep strain is observed for those specimens tested at a stress difference. The strain rate is not constant. A primary creep stage is observed. Secondary creep does not exhibit a constant strain rate, but decreases with increasing time.

A system for automatic tool path generation was developed at Sandia National Laboratories for finish machining operations. The system consists of a commercially available 5-axis milling machine controlled by Sandia developed software. This system was used to remove overspray on cast turbine blades. A laser-based, structured-light sensor, mounted on a tool holder, is used to collect 3D data points around the surface of the turbine blade. Using the digitized model of the blade, a tool path is generated which will drive a 0.375 inch grinding pin around the tip of the blade. A fuzzified digital filter was developed to properly eliminate false sensor readings caused by burrs, holes and overspray. The digital filter was found to successfully generate the correct tool path for a blade with intentionally scanned holes and defects. The fuzzified filter improved the computation efficiency by a factor of 25. For application to general parts, an adaptive scanning algorithm was developed and presented with simulation and experimental results. A right pyramid and an ellipsoid were scanned successfully with the adaptive algorithm in simulation studies. In actual experiments, a nose cone and a turbine blade were successfully scanned. A complex shaped turbine blade was successfully scanned and finished machined using these algorithms.

This report presents a strategy for delineating the location of residual dense non-aqueous phase liquids (DNAPL) that combines probabilistic simulations of DNAPL spill location and volume, geologic texture constraining migration pathways, migration physics through percolation modeling, and a decision analysis model to pick optimal locations for sampling wells. The authors` strategy is an iterative process of simulating the residual DNAPL location, selecting new locations for data collection, gathering data, and then using the data to condition further simulations of DNAPL migration. As they iterate through this process, data worth analysis is used to determine an appropriate stopping point. The authors present the results from a preliminary version of their model, showing how the process was used to delineate hypothetical DNAPL spills.

Data visualization is an emerging technology with high potential for addressing the information overload problem. This project extends the data visualization work of the Navigating Science project by coupling it with more traditional information retrieval methods. A citation-derived landscape was augmented with documents using a text-based similarity measure to show viability of extension into datasets where citation lists do not exist. Landscapes, showing hills where clusters of similar documents occur, can be navigated, manipulated and queried in this environment. The capabilities of this tool provide users with an intuitive explore-by-navigation method not currently available in today`s retrieval systems.

This report describes the responses of three energetic materials (TNT, RDX, and PETN) to varying reactant ion chemistries and IMS cell temperatures. The following reactant ion chemistries were evaluated; air-dry; air-wet; methylene chloride-dry; methylene chloride-wet; methylene bromide-dry; nitrogen dioxide-wet; sulfur dioxide-wet. The temperature was varied between 160 - 220{degrees}C.

A new approach to the fabrication of porous, amorphous inorganic membranes using organic pore templates was investigated. The pore templates were a new family of hybrid organic-inorganic monomers. As background for membrane work, the monomers were polymerized by sol-gel techniques to make crosslinked polymers. Molecular modeling was used to create computer simulations of the materials and provide insight into their composites, were then converted into porous silicas using low temperature oxygen plasma techniques. A select few of the monomers were copolymerized with silica monomers to form non-porous thin films on mesoporous substrates. The films were converted into porous silica thin films with thermal oxidations and the resulting membranes were tested for gas selectivities and flux.

Sandia National Laboratories is developing a system that uses robots to package pits at Pantex in the AT-400A pit storage and transportation container. This report will give an overview of the AT-400A packaging process, and the parts of the overall AT-400A packaging operation that will be performed robotically. The process employed to move from development in the laboratory at Sandia to production use at Pantex will be described. Finally, important technology components being developed for and incorporated into the robotic system will be described. 7 refs., 9 figs.

In 1973 Mr. W. Athey of the Environmental Protection Agency wrote a computer program called SECPOP which calculated population estimates. Since that time, two things have changed which suggested the need for updating the original program - more recent population censuses and the widespread use of personal computers (PCs). The revised computer program uses the 1990 and 1992 Population Census information and runs on current PCs as {open_quotes}SECPOP90.{close_quotes} SECPOP90 consists of two parts: site and regional. The site provides population and economic data estimates for any location within the continental United States. Siting analysis is relatively fast running. The regional portion assesses site availability for different siting policy decisions; i.e., the impact of available sites given specific population density criteria within the continental United States. Regional analysis is slow. This report compares the SECPOP90 population estimates and the nuclear power reactor licensee-provided information. Although the source, and therefore the accuracy, of the licensee information is unknown, this comparison suggests SECPOP90 makes reasonable estimates. Given the total uncertainty in any current calculation of severe accidents, including the potential offsite consequences, the uncertainty within SECPOP90 population estimates is expected to be insignificant. 12 refs., 55 figs., 7 tabs.

Experimental results are presented for bulk and mechanical properties measurements on specimens of the Paintbrush tuff recovered from the USW NRG-6 and USW NRG-7/7A borehole at Yucca Mountain, Nevada. Measurements have been performed on five thermal/mechanical units: TCw, PTn, TSw2, and TSw3. The following bulk properties are reported for each specimen: dry bulk density, saturated bulk density, average grain density and porosity. Confined compression to failure tests were performed on selected specimens recovered from the boreholes at confining pressures of 5 and 10 MPa. In addition, compressional and shear wave velocities were measured on the specimens prior to testing. Measurements were conducted under drained conditions at room temperature on nominally water saturated specimens. The nominal strain rate for the experiments was 10{sup -5} s{sup -1}.

The major results from SNL`s Conceptual Model Development and Validation Task (WBS 1.2.5.4.6) as developed through exploration of small scale processes were synthesized in Glass et al. to give guidance to Performance Assessment on improving conceptual models for isothermal flow in unsaturated, fractured rock. There, pressure saturation and relative permeability curves for single fractures were proposed to be a function of both fracture orientation within the gravity field and initial conditions. We refer the reader to Glass et al. for a discussion of the implications of this behavior for Performance Assessment. The scientific research we report here substantiates this proposed behavior. We address the modeling of phase structure within fractures under natural gradient conditions relevant to unsaturated flow through fractures. This phase structure underlies the calculation of effective properties for individual fractures and hence fracture networks as required for Performance Assessment. Standard Percolation (SP) and Invasion Percolation (IP) approaches have been recently proposed to model the underlying phase saturation structures within the individual fractures during conditions of two-phase flow. Subsequent analysis of these structures yields effective two-phase pressure-saturation and relative permeability relations for the fracture. However, both of these approaches yield structures that are at odds with physical reality as we see in experiments and thus effective properties calculated from these structures are in error. Here we develop and evaluate a Modified Invasion Percolation (MIP) approach to better model quasi-static immiscible displacement in fractures. The effects of gravity, contact angle, local aperature field geometry, and local in-plane interfacial curvature between phases are included in the calculation of invasion pressure for individual sites in a discretized aperture field.

The purpose of this laboratory-directed research and development (LDRD) project was to develop and assess novel low-permittivity dielectric materials for applications as interlevel dielectrics (ILDs) in Si-based microelectronics. There were three classes of materials investigated: (1) novel covalently-bonded ceramics containing carbon, boron, and/or nitrogen, (2) fluorinated SiO{sub 2} (SiOF), and (3) plasma polymerized fluorocarbon (PPFC). The specific advantages and disadvantages for each potential low k ILD material were evaluated. It was discovered that highly energetic deposition processes are required for the formation of thermally and environmentally stable carbon or boron nitride ceramics, and the resulting films may have many potentially valuable applications, such as diffusion barriers, tribological coatings, micro-sensor materials, etc. The films are not suitable as low k ILDs, however, because the highly energetic deposition process leads to films with high atomic density, and this leads to high dielectric constants. SiOF shows a promise as low k ILD material for near-term applications, but special passivation or encapsulation strategies may be required in order to reduce two instability problems that the authors have discovered: moisture absorption and thermal instability of the SiOF/Al interface. PPFC films offer promise for even lower dielectric constant ILDs than SiOF, but it will be necessary to develop new strategies to passivate the free radicals in the films generated during deposition. These free radicals lead to increase in dielectric loss over time when the films are exposed to room ambient conditions.

The Virtual Collaborative Environment (VCE) and Distributed Collaborative Workbench (DCW) are new technologies that make it possible for diverse users to synthesize and share mechatronic, sensor, and information resources. Using these technologies, university researchers, manufacturers, design firms, and others can directly access and reconfigure systems located throughout the world. The architecture for implementing VCE and DCW has been developed based on the proposed National Information Infrastructure or Information Highway and a tool kit of Sandia-developed software. Further enhancements to the VCE and DCW technologies will facilitate access to other mechatronic resources. This report describes characteristics of VCE and DCW and also includes background information about the evolution of these technologies.

The authors developed and implemented a highly parallel computational algorithm for solution of the inverse scattering problem generated when an integrated circuit is illuminated by laser. The method was used as part of a system to measure diffraction grating line widths on specially fabricated test wafers and the results of the computational analysis were compared with more traditional line-width measurement techniques. The authors found they were able to measure the line width of singly periodic and doubly periodic diffraction gratings (i.e. 2D and 3D gratings respectively) with accuracy comparable to the best available experimental techniques. They demonstrated that their parallel code is highly scalable, achieving a scaled parallel efficiency of 90% or more on typical problems running on 1024 processors. They also made substantial improvements to the algorithmics and their original implementation of Rigorous Coupled Waveform Analysis, the underlying computational technique. These resulted in computational speed-ups of two orders of magnitude in some test problems. By combining these algorithmic improvements with parallelism the authors achieve speedups of between a few thousand and hundreds of thousands over the original engineering code. This made the laser diffraction measurement technique practical.

This report presents a microsimulation model of a transition economy. Transition is defined as the process of moving from a state-enterprise economy to a market economy. The emphasis is on growing a market economy starting from basic microprinciples. The model described in this report extends and modifies the capabilities of Aspen, a new agent-based model that is being developed at Sandia National Laboratories on a massively parallel Paragon computer. Aspen is significantly different from traditional models of the economy. Aspen`s emphasis on disequilibrium growth paths, its analysis based on evolution and emergent behavior rather than on a mechanistic view of society, and its use of learning algorithms to simulate the behavior of some agents rather than an assumption of perfect rationality make this model well-suited for analyzing economic variables of interest from transition economies. Preliminary results from several runs of the model are included.

A Monte Carlo algorithm is used to determine the apparent spatial blurring of a terrestrial 1.07 micron optical point source due to cloud scattering as seen from space. The virtual image of a point source over a virtual source plane area 22.4 x 22.4 square kilometers arising from cloud scattering was determined for stratus clouds (NASA cloud number 5) and altostratus clouds optical source arises from photon scattering by cloud water droplets. Displacement of the virtual source is due to the apparent illumination of the cloud top region directly about the actual source which when viewed at a nonzero look angle gives a projected displacement of the apparent source relative to the actual source. These features are quantified by an analysis of the Monte Carlo computational results.

Unlike silicon microelectronics, photonics packaging has proven to be low yield and expensive. One approach to make photonics packaging practical for low cost applications is the use of {open_quotes}smart{close_quotes} packages. {open_quotes}Smart{close_quotes} in this context means the ability of the package to actuate a mechanical change based on either a measurement taken by the package itself or by an input signal based on an external measurement. One avenue of smart photonics packaging, the use of polysilicon micromechanical devices integrated with photonic waveguides, was investigated in this research (LDRD 3505.340). The integration of optical components with polysilicon surface micromechanical actuation mechanisms shows significant promise for signal switching, fiber alignment, and optical sensing applications. The optical and stress properties of the oxides and nitrides considered for optical waveguides and how they are integrated with micromechanical devices were investigated.

This report describes the design features of series connected photovoltaic arrays which will be required to charge capacitors to relatively high (400V) voltages in time periods on the order of 1 microsecond. The factors which determine the array voltage and the capacitor charge time are given. Individual element junction designs, along with an interconnect scheme, and a semiconductor process to realize them are presented. Finally, the input laser optical required to meet the requirements is determined.

The response of a variety of sucker rod couplings to an applied axial load was simulated using axisymmetric finite element models. The calculations investigated three sucker rod sizes and various combinations of the slimhole, Spiralock, and Flexbar modifications to the coupling. In addition, the effect of various make-ups (assembly tightness) on the performance of coupling was investigated. An axial load was applied to the sucker rod ranging from {minus}5 ksi to 40 ksi, encompassing three load cycles identified on a modified Goodman diagram as acceptable for indefinite service life of the sucker rods. The simulations of the various coupling geometries and make-ups were evaluated with respect to how well they accomplish the two primary objectives of preloading threaded couplings: (1) to lock the threaded coupling together so that it will not loosen and eventually uncouple, and (2) to improve the fatigue resistance of the threaded connection by reducing the stress amplitude in the coupling when subjected to cyclic loading. Perhaps the most significant finding in this study was the characterization of the coupling parameters which affect two stress measures. The mean hydrostatic stress, which determines the permissible effective alternating stress, is a function of the coupling make-up. Whereas, the alternating effective stress is a function of the relative stiffnesses of the pin and box sections of the coupling and, as long as the coupling does not separate, is unaffected by the amount of circumferential displacement applied during make-up. The results of this study suggest approaches for improving the fatigue resistance of sucker rod couplings.

Experimental results are presented for 24 thermal expansion experiments performed on 5 welded specimens of the Paintbrush tuff recovered from borehole USW SD-12 at Yucca Mountain, Nevada. The thermal expansion experiments were performed at constant confining pressures between 1 and 30 MPa. On three specimens, the highest confining pressure measurements were performed first to inhibit thermally induced damage which might occur at lower confining pressures. At each confining pressure two complete thermal cycles were performed. The specimens were heated (to a nominal temperature of 250 C) and cooled at the nominal rate of 0.319 C per minute. The change in specimen length as a function of temperature was measured with two linear variable displacement transducers mounted on endcaps secured to the specimen. The strain increases with increasing temperature and the strain vs temperature curves are concave upward. On cooling, there is hysteresis at the higher temperatures at all confining pressures. The first heating/cooling cycle is anomalous; hysteresis is pronounced, and a permanent shortening of the specimen is observed at the termination of the cycle. The magnitude of the effect was similar for all five specimens regardless of whether the first cycle was carried out at the highest or lowest confining pressure. For subsequent cycles at all confining pressures, no permanent strain develops, and the strain versus temperature curves re very similar. The mean coefficients of thermal expansion ({alpha}) range from 7.9 to 10.8{sup {minus}6} C{sup {minus}1} at temperatures below 100 C, to 14.2 to 20.6 x 10{sup {minus}6} C{sup {minus}1} at temperatures approaching 250 C. The effect of confining pressure on thermal expansion is small. For temperatures above 175 C, the mean coefficients of thermal expansion decreases by 10--12% as the pressure increases from 1 to 30 MPa.

Shipboard fires both in the same ship hold and in an adjacent hold aboard a break-bulk cargo ship are simulated with a commercial finite-volume computational fluid mechanics code. The fire models and modeling techniques are described and discussed. Temperatures and heat fluxes to a simulated materials package are calculated and compared to experimental values. The overall accuracy of the calculations is assessed.

This report documents a preliminary evaluation of the ability of the greater confinement disposal boreholes at the Nevada Test Site to provide long-term isolation of radionuclides from the disposal of vitrified byproduct material. The byproduct material is essentially concentrated residue from processing uranium ore that contains a complex mixture of radionuclides, many of which are long-lived and present in concentrations greater than 100,000 picoCuries per gram. This material has been stored in three silos at the fernald Environmental Management Project since the early 1950s and will be vitrified into 6,000 yd{sup 3} (4,580 m{sup 3}) of glass gems prior to disposal. This report documents Sandia National Laboratories` preliminary evaluation for disposal of the byproduct material and includes: the selection of quantitative performance objectives; a conceptual model of the disposal system and the waste; results of the modeling; identified issues, and activities necessary to complete a full performance assessment.

The Alternative Landfill Cover Demonstration is a large scale field test that compares the performance of various landfill cover designs in dry environments. An important component of the comparison is the change in the moisture content of the soils throughout the different cover test plots. Time Domain Reflectometry (TDR) is the primary method for the measurement of the volumetric moisture content. Each of the covers is composed of layers of varying types and densities of soils. The probes are therefore calibrated to calculate the volumetric moisture content in each of the different soils in order to gain the optimum performance of the TDR system. The demonstration plots are constructed in two phases; a different probe is used in each phase. The probe that is used in Phase 1 is calibrated for the following soils: compacted native soil, uncompacted native soil, compacted native soil mixed with 6% sodium bentonite by weight, and sand. The probe that is used in Phase 2 is calibrated for the following soils: compacted native soil, uncompacted native soil, and sand. In addition, the probes are calibrated for the varying cable lengths of the TDR probes. The resulting empirically derived equations allow for the calculation of in-situ volumetric moisture content of all of the varying soils throughout the cover test plots in the demonstration.

The state-of-the-art in Lagrangian methods for the grid-free simulation of three-dimensional, incompressible, high Reynolds number, internal and/or external flows is surveyed. Specifically, vortex and velicity (or impulse) element methods are introduced. The relative merits of various available techniques and the outstanding challenges in simulating the processes of convection and diffusion, as well as in satisfying the wall boundary conditions are discussed individually. Issues regarding the stretch and solenoidality of vorticity are also discussed. A potentially successful algorithm for simulating the flow around a parachute is proposed as well.

A methodology for the evaluation of complex electromagnetics problems is presented. The methodology reduces the computational requirements for the analysis of large scale computational electromagnetics problems by hybridizing the method of moments and physical optics techniques. The target model is based on triangular facets and the incident field source by its system response function. Data which can be obtained from the analysis are radar cross section, power spectral density, and range profiles.

Surface-micromachined silicon inertial sensors are limited to relatively high-G applications in part because of the fundamental limitations on proof mass imposed by the manufacturing technology. At the same time, traditional micromolding technologies such as LIGA do not lend themselves to integration with electronics, a capability which is equally necessary for high-performance inertial sensors. The silicon micromolding processes described in this report promise to offer both larger proof masses and integrability with on-chip electronics. In Sandia`s silicon micromolding process, the proof mass is formed using a mold which is first recessed into the substrate using a deep silicon trench etch, then lined with a sacrificial or etch-stop layer, and filled with mechanical polysilicon. Since the mold is recessed into the substrate, the whole micromechanical structure can be formed, planarized, and integrated with standard silicon microelectronic circuits before the release etch. In addition, unlike surface-micromachined parts, the thickness of the molded parts is limited by the depth of the trench etch (typically 10--50 {micro}m) rather than the thickness of deposited polysilicon (typically 2 {micro}m). The fact that the high-aspect-ratio section of the device is embedded in the substrate enables the monolithic integration of high-aspect-ratio parts with surface-micromachined mechanical parts, and, in the future, also electronics. The authors anticipate that such an integrated mold/surface micromachining/electronics process will offer versatile high-aspect-ratio micromachined structures that can be batch-fabricated and monolithically integrated into complex microelectromechanical systems including high-performance inertial sensing systems.

Discharge capacitors were designed based on materials with antiferroelectric (AFE) to ferroelectric (FE) field enforced transitions that had 10 times the capacitance of relaxor ferroelectric or state of the art BaTiO{sub 3} materials in the voltage range of interest. Nonlinear RLC circuit analysis was used to show that the AFE to FE materials have potentially more than 2 times the peak discharge current density capability of the BaTiO{sub 3} or lead magnesium niobate (PMN) based relaxor materials. Both lead lanthanum zirconium tin titanate (PLZST) AFE to FE field enforced phase transition materials and PMN based relaxor materials were fabricated and characterized for Sandia`s pulse discharge capacitor applications. An outstanding feature of the PLZST materials is that there are high field regimes where the dielectric constant increases substantially, by a factor of 20 or more, with applied field. Specifically, these materials have a low field dielectric constant of 1,000, but an effective dielectric constant of 23,000 in the electric field range corresponding to the FE to AFE transition during discharge. Lead magnesium niobate (PMN) based relaxor materials were also investigated in this project because of their high dielectric constants. While the PMN based ceramics had a low field dielectric constant of 25,000, at a field corresponding to half the charging voltage, approximately 13 kV/cm, the dielectric constant decreases to approximately 7,500.

The flow behavior of liquid metals at solid interfaces is critically important to successful welding, brazing, soldering and the synthesis of metal/ceramic composites. Continuum flow models frequently fail to reliably predict wetting behavior because they are based upon bulk fluid properties, rather than microscopic flow processes at the actual solid/liquid interface. Improved understanding of interfacial liquid flow is hindered by the paucity of experimental measurements at this microscopic level. This report describes a new approach, Acoustic Wave Damping (AWD), to measuring viscoelastic properties of liquid metal layers in the nanometer thickness regime. The AWD experiment measures the frequency response of a quartz crystal microbalance in contact with a viscoelastic layer. An equivalent circuit model and continuum acoustic theory relate this electrical response to mechanical energy storage and dissipative loss. For viscoelastic layers of known thickness and density, a quantitative complex shear modulus can be determined from the AWD data. Studies of self-assembled monolayers (SAMs) demonstrate sensitivity to monolayer structure and bonding. Molecular dynamics simulations relate these atomistic properties to the ensemble response. AWD measurements of ultra-thin liquid indium layers reveal metastable undercooling for 10--50 nm thick indium layers. Continued refinement of the AWD technique and the addition of complementary interface characterization techniques will enable definitive studies of ultra-thin molten metals.

The on-site inspection provisions in many current and proposed arms control agreements require extensive preparation and training on the part of both the Inspection Teams (inspectors) and Inspected Parties (host). Current training techniques include table-top inspections and practice inspections. The Augmented Computer Exercise for Inspection Training (ACE-IT), an interactive computer training tool, increases the utility of table-top inspections. ACE-IT has been designed to provide training for challenge inspections under the Chemical Weapons Convention (CWC); however, this training tool can be modified for other inspection regimes. Although ACE-IT provides training from notification of an inspection through post-inspection activities, the primary emphasis of ACE-IT is in the inspection itself--particularly with the concept of managed access. ACE-IT also demonstrates how inspection provisions impact compliance determination and the protection of sensitive information. This User`s Guide describes the use of the ACE-IT training software.

The on-site inspection provisions in many current and proposed arms control agreements require extensive preparation and training on the part of both the Inspection Teams (inspectors) and Inspected Parties (host). Current training techniques include table-top inspections and practice inspections. The Augmented Computer Exercise for Inspection Training (ACE-IT), an interactive computer training tool, increases the utility of table-top inspections. ACE-IT has been designed to provide training for challenge inspections under the Chemical Weapons Convention (CWC); however, this training tool can be modified for other inspection regimes. Although ACE-IT provides training from notification of an inspection through post-inspection activities, the primary emphasis of ACE-IT is in the inspection itself--particularly with the concept of managed access. ACE-IT also demonstrates how inspection provisions impact compliance determination and the protection of sensitive information. This Technical Manual describes many of the technical aspects of the ACE-IT training software.