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Comparison of Finite Element Predictions to Measurements from the Sandia Microslip Experiment

Lobitz, Donald W.; Gregory, Danny L.; Smallwood, David O.

When embarking on an experimental program for purposes of discovery and understanding, it is only prudent to use appropriate analysis tools to aid in the discovery process. Due to the limited scope of experimental measurement analytical results can significantly complement the data after a reasonable validation process has occurred. In this manner the analytical results can help to explain certain measurements, suggest other measurements to take and point to possible modifications to the experimental apparatus. For these reasons it was decided to create a detailed nonlinear finite element model of the Sandia Microslip Experiment. This experiment was designed to investigate energy dissipation due to microslip in bolted joints and to identify the critical parameters involved. In an attempt to limit the microslip to a single interface a complicated system of rollers and cables was devised to clamp the two slipping members together with a prescribed normal load without using a bolt. An oscillatory tangential load is supplied via a shaker. The finite element model includes the clamping device in addition to the sequence of steps taken in setting up the experiment. The interface is modeled using Coulomb friction requiring a modest validation procedure for estimating the coefficient of friction. Analysis results have indicated misalignment problems in the experimental procedure, identified transducer locations for more accurate measurements, predicted complex interface motions including the potential for galling, identified regions where microslip occurs and during which parts of the loading cycle it occurs, all this in addition to the energy dissipated per cycle. A number of these predictions have been experimentally corroborated in varying degrees and are presented in the paper along with the details of the finite element model.

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History Dependent Phenomena in the Transverse Ising Ferro-Glass: the Free Energy Landscape

Physical Review Letters

Grest, Gary S.

In this paper the authors investigate the relationship between glassy and ferromagnetic phases in disordered Ising ferromagnets in the presence of transverse magnetic fields, {Lambda}. Iterative mean field simulations probe the free energy landscape and suggest the existence of a glass transition line in the {Lambda}, temperature T plane well within the ferromagnetic phase. New experimental field-cooled and zero-field-cooled data on LiHo{sub x} Y{sub 1{minus}x}F{sub 4} provide support for our theoretical picture.

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A Reduced Order, One Dimensional Model of Joint Response

Dohner, Jeffrey L.

As a joint is loaded, the tangent stiffness of the joint reduces due to slip at interfaces. This stiffness reduction continues until the direction of the applied load is reversed or the total interface slips. Total interface slippage in joints is called macro-slip. For joints not undergoing macro-slip, when load reversal occurs the tangent stiffness immediately rebounds to its maximum value. This occurs due to stiction effects at the interface. Thus, for periodic loads, a softening and rebound hardening cycle is produced which defines a hysteretic, energy absorbing trajectory. For many jointed sub-structures, this hysteretic trajectory can be approximated using simple polynomial representations. This allows for complex joint substructures to be represented using simple non-linear models. In this paper a simple one dimensional model is discussed.

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Knowledge Generation

Brabson, John M.; Deland, Sharon M.

Unattended monitoring systems are being studied as a means of reducing both the cost and intrusiveness of present nuclear safeguards approaches. Such systems present the classic information overload problem to anyone trying to interpret the resulting data not only because of the sheer quantity of data but also because of the problems inherent in trying to correlate information from more than one source. As a consequence, analysis efforts to date have mostly concentrated on checking thresholds or diagnosing failures. Clearly more sophisticated analysis techniques are required to enable automated verification of expected activities level concepts in order to make automated judgments about safety, sensor system integrity, sensor data quality, diversion, and accountancy.

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Development of a Discrete Spatial-Temporal SEIR Simulator for Modeling Infectious Diseases

Mckenna, Sean A.

Multiple techniques have been developed to model the temporal evolution of infectious diseases. Some of these techniques have also been adapted to model the spatial evolution of the disease. This report examines the application of one such technique, the SEIR model, to the spatial and temporal evolution of disease. Applications of the SEIR model are reviewed briefly and an adaptation to the traditional SEIR model is presented. This adaptation allows for modeling the spatial evolution of the disease stages at the individual level. The transmission of the disease between individuals is modeled explicitly through the use of exposure likelihood functions rather than the global transmission rate applied to populations in the traditional implementation of the SEIR model. These adaptations allow for the consideration of spatially variable (heterogeneous) susceptibility and immunity within the population. The adaptations also allow for modeling both contagious and non-contagious diseases. The results of a number of numerical experiments to explore the effect of model parameters on the spread of an example disease are presented.

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Hot Cell Facility (HCF) Safety Analysis Report

Mitchell, Gerry W.; Longley, Susan W.; Philbin, Jeffrey S.; Mahn, Jeffrey A.; Berry, Donald T.; Schwers, Norman F.; Vanderbeek, Thomas E.; Naegeli, Robert E.

This Safety Analysis Report (SAR) is prepared in compliance with the requirements of DOE Order 5480.23, Nuclear Safety Analysis Reports, and has been written to the format and content guide of DOE-STD-3009-94 Preparation Guide for U. S. Department of Energy Nonreactor Nuclear Safety Analysis Reports. The Hot Cell Facility is a Hazard Category 2 nonreactor nuclear facility, and is operated by Sandia National Laboratories for the Department of Energy. This SAR provides a description of the HCF and its operations, an assessment of the hazards and potential accidents which may occur in the facility. The potential consequences and likelihood of these accidents are analyzed and described. Using the process and criteria described in DOE-STD-3009-94, safety-related structures, systems and components are identified, and the important safety functions of each SSC are described. Additionally, information which describes the safety management programs at SNL are described in ancillary chapters of the SAR.

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Adiabatic Quasi-Spherical Compressions Driven by Magnetic Pressure for Inertial Confinement Fusion

Nash, Thomas J.

The magnetic implosion of a high-Z quasi-spherical shell filled with DT fuel by the 20-MA Z accelerator can heat the fuel to near-ignition temperature. The attainable implosion velocity on Z, 13-cm/{micro}s, is fast enough that thermal losses from the fuel to the shell are small. The high-Z shell traps radiation losses from the fuel, and the fuel reaches a high enough density to reabsorb the trapped radiation. The implosion is then nearly adiabatic. In this case the temperature of the fuel increases as the square of the convergence. The initial temperature of the fuel is set by the heating of an ion acoustic wave to be about 200-eV after a convergence of 4. To reach the ignition temperature of 5-keV an additional convergence of 5 is required. The implosion dynamics of the quasi-spherical implosion is modeled with the 2-D radiation hydrodynamic code LASNEX. LASNEX shows an 8-mm diameter quasi-spherical tungsten shell on Z driving 6-atmospheres of DT fuel nearly to ignition at 3.5-keV with a convergence of 20. The convergence is limited by mass flow along the surface of the quasi-spherical shell. With a convergence of 20 the final spot size is 400-{micro}m in diameter.

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The Consistent Kinetics Porosity (CKP) Model: A Theory for the Mechanical Behavior of Moderately Porous Solids

Brannon, Rebecca M.

A theory is developed for the response of moderately porous solids (no more than {approximately}20% void space) to high-strain-rate deformations. The model is consistent because each feature is incorporated in a manner that is mathematically compatible with the other features. Unlike simple p-{alpha} models, the onset of pore collapse depends on the amount of shear present. The user-specifiable yield function depends on pressure, effective shear stress, and porosity. The elastic part of the strain rate is linearly related to the stress rate, with nonlinear corrections from changes in the elastic moduli due to pore collapse. Plastically incompressible flow of the matrix material allows pore collapse and an associated macroscopic plastic volume change. The plastic strain rate due to pore collapse/growth is taken normal to the yield surface. If phase transformation and/or pore nucleation are simultaneously occurring, the inelastic strain rate will be non-normal to the yield surface. To permit hardening, the yield stress of matrix material is treated as an internal state variable. Changes in porosity and matrix yield stress naturally cause the yield surface to evolve. The stress, porosity, and all other state variables vary in a consistent manner so that the stress remains on the yield surface throughout any quasistatic interval of plastic deformation. Dynamic loading allows the stress to exceed the yield surface via an overstress ordinary differential equation that is solved in closed form for better numerical accuracy. The part of the stress rate that causes no plastic work (i.e-, the part that has a zero inner product with the stress deviator and the identity tensor) is given by the projection of the elastic stressrate orthogonal to the span of the stress deviator and the identity tensor.The model, which has been numerically implemented in MIG format, has been exercised under a wide array of extremal loading and unloading paths. As will be discussed in a companion sequel report, the CKP model is capable of closely matching plate impact measurements for porous materials.

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Cassini Spacecraft Uncertainty Analysis Data and Methodology Review and Update/Volume 1: Updated Parameter Uncertainty Models for the Consequence Analysis

Wheeler, Timothy A.; Wyss, Gregory D.; Harper, Frederick T.

Uncertainty distributions for specific parameters of the Cassini General Purpose Heat Source Radioisotope Thermoelectric Generator (GPHS-RTG) Final Safety Analysis Report consequence risk analysis were revised and updated. The revisions and updates were done for all consequence parameters for which relevant information exists from the joint project on Probabilistic Accident Consequence Uncertainty Analysis by the United States Nuclear Regulatory Commission and the Commission of European Communities.

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Leveraging the UML Metamodel: Expressing ORM Semantics Using a UML Profile

Journal of Conceptual Modeling

Cuyler, David S.

Object Role Modeling (ORM) techniques produce a detailed domain model from the perspective of the business owner/customer. The typical process begins with a set of simple sentences reflecting facts about the business. The output of the process is a single model representing primarily the persistent information needs of the business. This type of model contains little, if any reference to a targeted computerized implementation. It is a model of business entities not of software classes. Through well-defined procedures, an ORM model can be transformed into a high quality objector relational schema.

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Low-Power Public Key Cryptography

Beaver, Cheryl L.; Draelos, Timothy J.; Hamilton, Victoria A.; Schroeppel, Richard C.; Gonzales, Rita A.; Miller, Russell D.; Thomas, Edward V.

This report presents research on public key, digital signature algorithms for cryptographic authentication in low-powered, low-computation environments. We assessed algorithms for suitability based on their signature size, and computation and storage requirements. We evaluated a variety of general purpose and special purpose computing platforms to address issues such as memory, voltage requirements, and special functionality for low-powered applications. In addition, we examined custom design platforms. We found that a custom design offers the most flexibility and can be optimized for specific algorithms. Furthermore, the entire platform can exist on a single Application Specific Integrated Circuit (ASIC) or can be integrated with commercially available components to produce the desired computing platform.

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Micromechanical Failure Analyses for Finite Element Polymer Modeling

Chambers, Robert S.; Reedy, Earl D.; Lo, Chi S.; Adolf, Douglas B.; Guess, Tommy R.

Polymer stresses around sharp corners and in constrained geometries of encapsulated components can generate cracks leading to system failures. Often, analysts use maximum stresses as a qualitative indicator for evaluating the strength of encapsulated component designs. Although this approach has been useful for making relative comparisons screening prospective design changes, it has not been tied quantitatively to failure. Accurate failure models are needed for analyses to predict whether encapsulated components meet life cycle requirements. With Sandia's recently developed nonlinear viscoelastic polymer models, it has been possible to examine more accurately the local stress-strain distributions in zones of likely failure initiation looking for physically based failure mechanisms and continuum metrics that correlate with the cohesive failure event. This study has identified significant differences between rubbery and glassy failure mechanisms that suggest reasonable alternatives for cohesive failure criteria and metrics. Rubbery failure seems best characterized by the mechanisms of finite extensibility and appears to correlate with maximum strain predictions. Glassy failure, however, seems driven by cavitation and correlates with the maximum hydrostatic tension. Using these metrics, two three-point bending geometries were tested and analyzed under variable loading rates, different temperatures and comparable mesh resolution (i.e., accuracy) to make quantitative failure predictions. The resulting predictions and observations agreed well suggesting the need for additional research. In a separate, additional study, the asymptotically singular stress state found at the tip of a rigid, square inclusion embedded within a thin, linear elastic disk was determined for uniform cooling. The singular stress field is characterized by a single stress intensity factor K{sub a} and the applicable K{sub a} calibration relationship has been determined for both fully bonded and unbended inclusions. A lack of interfacial bonding has a profound effect on inclusion-tip stress fields. A large radial compressive stress is generated in front of the inclusion-tip when the inclusion is well bonded, whereas a large tensile hoop stress is generated when the inclusion is unbended, and frictionless sliding is allowed. Consequently, an epoxy disk containing an unbended inclusion appears more likely to crack when cooled than a disk containing a fully bonded inclusion. A limited number of tests have been carried out to determine if encapsulant cracking can be induced by cooling a specimen fabricated by molding a square, steel insert within a thin, epoxy disk. Test results are in qualitative agreement with analysis. Cracks developed only in disks with mold-released inserts, and the tendency for cracking increased with inclusion size.

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Optical interconnections to focal plane arrays

Rienstra, Jeffrey L.; Hinckley, M.K.

The authors have successfully demonstrated an optical data interconnection from the output of a focal plane array to the downstream data acquisition electronics. The demonstrated approach included a continuous wave laser beam directed at a multiple quantum well reflectance modulator connected to the focal plane array analog output. The output waveform from the optical interconnect was observed on an oscilloscope to be a replica of the input signal. They fed the output of the optical data link to the same data acquisition system used to characterize focal plane array performance. Measurements of the signal to noise ratio at the input and output of the optical interconnection showed that the signal to noise ratio was reduced by a factor of 10 or more. Analysis of the noise and link gain showed that the primary contributors to the additional noise were laser intensity noise and photodetector receiver noise. Subsequent efforts should be able to reduce these noise sources considerably and should result in substantially improved signal to noise performance. They also observed significant photocurrent generation in the reflectance modulator that imposes a current load on the focal plane array output amplifier. This current loading is an issue with the demonstrated approach because it tends to negate the power saving feature of the reflectance modulator interconnection concept.

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LDRD final report : raman spectroscopic measurements to monitor the HMX beta-delta phase transition

Tappan, Alexander S.; Renlund, Anita M.; Miller, Jill C.

The HMX {beta}-{delta} solid-solid phase transition, which occurs as HMX is heated near 170 C, is linked to increased reactivity and sensitivity to initiation. Thermally damaged energetic materials (EMs) containing HMX therefore may present a safety concern. Information about the phase transition is vital to predictive safety models for HMX and HMX-containing EMs. We report work on monitoring the phase transition with real-time Raman spectroscopy aimed towards obtaining a better understanding of physical properties of HMX through the phase transition. HMX samples were confined in a cell of minimal free volume in a displacement-controlled or load-controlled arrangement. The cell was heated and then cooled at controlled rates while real-time Raman spectroscopic measurements were performed. Raman spectroscopy provides a clear distinction between the phases of HMX because the vibrational transitions of the molecule change with conformational changes associated with the phase transition. Temperature of phase transition versus load data are presented for both the heating and cooling cycles in the load-controlled apparatus, and general trends are discussed. A weak dependence of the temperature of phase transition on load was discovered during the heating cycle, with higher loads causing the phase transition to occur at a higher temperature. This was especially true in the temperature of completion of phase transition data as opposed to the temperature of onset of phase transition data. A stronger dependence on load was observed in the cooling cycle, with higher loads causing the reverse phase transitions to occur at a higher cooling temperature. Also, higher loads tended to cause the phase transition to occur over a longer period of time in the heating cycle and over a shorter period of time in the cooling cycle. All three of the pure HMX phases ({alpha}, {beta} and {delta}) were detected on cooling of the heated samples, either in pure form or as a mixture.

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Spectroscopic Detection of Pathogens

Alam, Kathleen M.; Timlin, Jerilyn A.; Martin, Laura E.

The goal of this LDRD Research project was to provide a preliminary examination of the use of infrared spectroscopy as a tool to detect the changes in cell cultures upon activation by an infectious agent. Due to a late arrival of funding, only 5 months were available to transfer and setup equipment at UTTM,develop cell culture lines, test methods of in-situ activation and collect kinetic data from activated cells. Using attenuated total reflectance (ATR) as a sampling method, live cell cultures were examined prior to and after activation. Spectroscopic data were collected from cells immediately after activation in situ and, in many cases for five successive hours. Additional data were collected from cells activated within a test tube (pre-activated), in both transmission mode as well as in ATR mode. Changes in the infrared data were apparent in the transmission data collected from the pre-activated cells as well in some of the pre-activated ATR data. Changes in the in-situ activated spectral data were only occasionally present due to (1) the limited time cells were studied and (2) incomplete activation. Comparison of preliminary data to infrared bands reported in the literature suggests the primary changes seen are due an increase in ribonucleic acid (RNA) production. This work will be continued as part of a 3 year DARPA grant.

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IFSAR for the Rapid Terrain Visualization Demonstration

Burns, Bryan L.; Eichel, Paul H.; Hensley, William H.; Kim, Theodore J.

The Rapid Terrain Visualization Advanced Concept Technology Demonstration (RTV-ACTD) is designed to demonstrate the technologies and infrastructure to meet the Army requirement for rapid generation of digital topographic data to support emerging crisis or contingencies. The primary sensor for this mission is an interferometric synthetic aperture radar (IFSAR) designed at Sandia National Laboratories. This paper will outline the design of the system and its performance, and show some recent flight test results. The RTV IFSAR will meet DTED level III and IV specifications by using a multiple-baseline design and high-accuracy differential and carrier-phase GPS navigation. It includes innovative near-real-time DEM production on-board the aircraft. The system is being flown on a deHavilland DHC-7 Army aircraft.

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Factsheets Web Application

Vigil, Frank; Reeder, Roxana G.

The Factsheets web application was conceived out of the requirement to create, update, publish, and maintain a web site with dynamic research and development (R and D) content. Before creating the site, a requirements discovery process was done in order to accurately capture the purpose and functionality of the site. One of the high priority requirements for the site would be that no specialized training in web page authoring would be necessary. All functions of uploading, creation, and editing of factsheets needed to be accomplished by entering data directly into web form screens generated by the application. Another important requirement of the site was to allow for access to the factsheet web pages and data via the internal Sandia Restricted Network and Sandia Open Network based on the status of the input data. Important to the owners of the web site would be to allow the published factsheets to be accessible to all personnel within the department whether or not the sheets had completed the formal Review and Approval (R and A) process. Once the factsheets had gone through the formal review and approval process, they could then be published both internally and externally based on their individual publication status. An extended requirement and feature of the site would be to provide a keyword search capability to search through the factsheets. Also, since the site currently resides on both the internal and external networks, it would need to be registered with the Sandia search engines in order to allow access to the content of the site by the search engines. To date, all of the above requirements and features have been created and implemented in the Factsheet web application. These have been accomplished by the use of flat text databases, which are discussed in greater detail later in this paper.

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Analysis of Infiltration Uncertainty

Mccurley, Ronald D.; Ho, Clifford K.; Wilson, Michael L.

In a total-system performance assessment (TSPA), uncertainty in the performance measure (e.g., radiation dose) is estimated by first estimating the uncertain y in the input variables and then propagating that uncertain y through the model system by means of Monte Carlo simulation. This paper discusses uncertainty in surface infiltration, which is one of the input variables needed for performance assessments of the Yucca Mountain site. Infiltration has been represented in recent TSPA simulations by using three discrete infiltration maps (i.e., spatial distributions of infiltration) for each climate state in the calculation of unsaturated-zone flow and transport. A detailed uncertainty analysis of infiltration was carried out for two purposes: to better quantify the possible range of infiltration, and to determine what probability weights should be assigned to the three infiltration cases in a TSPA simulation. The remainder of this paper presents the approach and methodology for the uncertainty analysis, along with a discussion of the results.

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The Direction Cosine Method of Scatterer Location Extended to Spotlight-Mode IFSAR

Eichel, Paul H.

In this paper we have shown how the direction cosine method of stripmap-mode IFSAR maybe modified for use in the spotlight-mode case. Spotlight-mode IFSAR geometry dictates a common aperture phase center, velocity vector, and baseline vector for every pixel in an image. Angle with respect to the velocity vector is the same for every pixel in a given column and can be computed from the column index, the Doppler of the motion compensation point and the Doppler column sample spacing used in image formation. With these modifications, the direction cosines and length of the line of sight vector to every scatterer in the scene may be computed directly from the raw radar measurements of range, Doppler, and interferometric phase.

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Utilizing Computational Probabilistic Methods to Derive Shock Specifications in a Nondeterministic Environment

Field, Richard V.; Red-Horse, John R.; Paez, Thomas L.

One of the key elements of the Stochastic Finite Element Method, namely the polynomial chaos expansion, has been utilized in a nonlinear shock and vibration application. As a result, the computed response was expressed as a random process, which is an approximation to the true solution process, and can be thought of as a generalization to solutions given as statistics only. This approximation to the response process was then used to derive an analytically-based design specification for component shock response that guarantees a balanced level of marginal reliability. Hence, this analytically-based reference SRS might lead to an improvement over the somewhat ad hoc test-based reference in the sense that it will not exhibit regions of conservativeness. nor lead to overtesting of the design.

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Consolidation of Modal Parameters from Several Extraction Sets

Mayes, Randall L.; Klenke, Scott E.

Experienced experimentalists have gone through the process of attempting to identify a final set of modal parameters from several different sets of extracted parameters. Usually, this is done by visually examining the mode shapes. With the advent of automated modal parameter extraction algorithms such as SMAC (Synthesize Modes and Correlate), very accurate extractions can be made to high frequencies. However, this process may generate several hundred modes that then must be consolidated into a final set of modal information. This has motivated the authors to generate a set of tools to speed the process of consolidating modal parameters by mathematical (instead of visual) means. These tools help quickly identify the best modal parameter extraction associated with several extractions of the same mode. The tools also indicate how many different modes have been extracted in a nominal frequency range and from which references. The mathematics are presented to achieve the best modal extraction of multiple modes at the same nominal frequency. Improvements in the SMAC graphical user interface and database are discussed that speed and improve the entire extraction process.

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(CN{sub 3}H{sub 6}){sub 2} {center_dot} Zn(HPO{sub 3}){sub 2}: A Three-Dimensional Framework Zincophosphite Containing Polyhedral 12-Rings

International Journal of Inorganic Materials

Nenoff, Tina M.

The solution-mediated synthesis and single crystal structure of (CN{sub 3}H{sub 6}){sub 2} {center_dot} Zn(HPO{sub 3}){sub 2} are reported. This phase is built up from a three-dimensional framework of vertex-linked ZnO{sub 4} and HPO{sub 3} building units encapsulating the extra-framework guanidinium cations. The structure is stabilized by template-to-framework hydrogen bonding. The inorganic framework shows a surprising similarity to those of some known zinc phosphates. Crystal data: (CN{sub 3}H{sub 6}){sub 2} {center_dot} Zn(HPO{sub 3}){sub 2}, AI,= 345.50, orthorhombic, space group Fdd2 (No. 43), a = 15.2109 (6) {angstrom}, b = 11.7281 (5) {angstrom}, c = 14.1821 (6) {angstrom}, V = 2530.0 (4){angstrom}{sup 3}, Z = 8, T = 298 (2)K, R(F) = 0.020, wR(F) = 0.025.

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Abstraction of Thermal Hydrology and Coupled Processes for TSPA

Itamura, Michael; Francis Jr., Nicholas D.

The thermal-hydrologic (TH) and coupled process models describe the evolution of a potential geologic repository as heat is released from emplaced waste. The evolution (thermal, hydrologic, chemical, and mechanical) of the engineered barrier and geologic systems is heavily dependent on the heat released by the waste packages and how the heat is transferred from the emplaced wastes through the drifts and through the repository host rock. The essential elements of this process are extracted (or abstracted) from the process-level models that incorporate the basic energy and mass conservation principles and applied to the total system models used to describe the overall performance of the potential repository. The process of total system performance assessment (TSPA) abstraction is the following. First is a description of the parameter inputs used in the process-level models. A brief description is given hereof past inputs for the viability assessment (e.g., for TSPA-VA) and current inputs for the site recommendation (TSPA-SR). This is followed by a highlight of the process-level models from which the abstractions are made. These include descriptions of TH, thermal-hydrologic-chemical (THC), and thermal-mechanical (TM) processes used to describe the performance of individual waste packages and waste emplacement drifts as well as the repository as a whole. Next is a description of what (and how) information is abstracted from the process-level models. This also includes an accounting of the features, events, and processes (FEPs) that are important to both the regulators and the international repository community in general. Finally, an identification of the TSPA model components that utilize the abstracted information to characterize the overall performance of a potential geologic repository is given.

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Optimization-Based Drift Prevention for Learning Control of Underdetermined Linear and Weakly Nonlinear Time-Varying Systems

Driessen, Brian J.; Kwok, Kwan S.

In this paper an optimization-based method of drift prevention is presented for learning control of underdetermined linear and weakly nonlinear time-varying dynamic systems. By defining a fictitious cost function and the associated model-based sub-optimality conditions, a new set of equations results, whose solution is unique, thus preventing large drifts from the initial input. Moreover, in the limiting case where the modeling error approaches zero, the input that the proposed method converges to is the unique feasible (zero error) input that minimizes the fictitious cost function, in the linear case, and locally minimizes it in the (weakly) nonlinear case. Otherwise, under mild restrictions on the modeling error, the method converges to a feasible sub-optimal input.

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Abstraction of Seepage into Drifts

Wilson, Michael L.; Ho, Clifford K.

The abstraction model used for seepage into emplacement drifts in recent TSPA simulations has been presented. This model contributes to the calculation of the quantity of water that might contact waste if it is emplaced at Yucca Mountain. Other important components of that calculation not discussed here include models for climate, infiltration, unsaturated-zone flow, and thermohydrology; drip-shield and waste-package degradation; and flow around and through the drip shield and waste package. The seepage abstraction model is stochastic because predictions of seepage are necessarily quite uncertain. The model provides uncertainty distributions for seepage fraction fraction of waste-package locations flow rate as functions of percolation flux. In addition, effects of intermediate-scale flow with seepage and seep channeling are included by means of a flow-focusing factor, which is also represented by an uncertainty distribution.

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VFLOW2D - A Vorte-Based Code for Computing Flow Over Elastically Supported Tubes and Tube Arrays

Wolfe, Walter P.; Strickland, James H.; Homicz, Gregory F.; Gossler, Albert A.

A numerical flow model is developed to simulate two-dimensional fluid flow past immersed, elastically supported tube arrays. This work is motivated by the objective of predicting forces and motion associated with both deep-water drilling and production risers in the oil industry. This work has other engineering applications including simulation of flow past tubular heat exchangers or submarine-towed sensor arrays and the flow about parachute ribbons. In the present work, a vortex method is used for solving the unsteady flow field. This method demonstrates inherent advantages over more conventional grid-based computational fluid dynamics. The vortex method is non-iterative, does not require artificial viscosity for stability, displays minimal numerical diffusion, can easily treat moving boundaries, and allows a greatly reduced computational domain since vorticity occupies only a small fraction of the fluid volume. A gridless approach is used in the flow sufficiently distant from surfaces. A Lagrangian remap scheme is used near surfaces to calculate diffusion and convection of vorticity. A fast multipole technique is utilized for efficient calculation of velocity from the vorticity field. The ability of the method to correctly predict lift and drag forces on simple stationary geometries over a broad range of Reynolds numbers is presented.

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National Needs Drivers for Nanotechnology

Yonas, Gerold; Picraux, S.T.

Societal needs related to demographics, resources, and human behavior will drive technological advances over the next 20 years. Nanotechnology is anticipated to be an important enabler of these advances, and thus maybe anticipated to have significant influence on new systems approaches to solving societal problems as well as on extending current science and technology-based applications. To examine the potential implications of nanotechnology a societal needs-driven approach is taken. Thus the methodology is to present the definition of the problem, and then examine system concepts, technology issues, and promising future directions. We approach the problem definition from a national and global security perspective and identify three key areas involving the condition of the planet, the human condition, and global security. In anticipating societal issues in the context of revolutionary technologies, such as maybe enabled by nanoscience, the importance of working on the entire life cycle of any technological solution is stressed.

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Digitally Marking RSA Moduli

Johnston, Anna M.

The moduli used in RSA (see [5]) can be generated by many different sources. The generator of that modulus (assuming a single entity generates the modulus) knows its factorization. They would have the ability to forge signatures or break any system based on this moduli. If a moduli and the RSA parameters associated with it were generated by a reputable source, the system would have higher value than if the parameters were generated by an unknown entity. So for tracking, security, confidence and financial reasons it would be beneficial to know who the generator of the RSA modulus was. This is where digital marking comes in. An RSA modulus ia digitally marked, or digitally trade marked, if the generator and other identifying features of the modulus (such as its intended user, the version number, etc.) can be identified and possibly verified by the modulus itself. The basic concept of digitally marking an RSA modulus would be to fix the upper bits of the modulus to this tag. Thus anyone who sees the public modulus can tell who generated the modulus and who the generator believes the intended user/owner of the modulus is.

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Dynamics of capillary evaporation. II. Free energy barriers

Journal of Chemical Physics

Leung, Kevin

The free energy barriers of vapor tube formed in a metastable liquid confined between hydrophobic walls is investigated. Monte Carlo simulations, the transition state theory and constrained umbrella sampling techniques are performed to estimate the free energy barrier for vapor tube formation. Transmission coefficients calculated for the liquid layer show that capillary evaporation are also described from the size of a vapor pocket formed between the walls.

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Dynamics of capillary evaporation. I. Effect of morphology of hydrophobic surfaces

Journal of Chemical Physics

Leung, Kevin

The capillary evaporation (cavitation) of water confined between two hydrophobic surfaces in close proximity is analyzed. The water is replaced by vapor due to the presence of bulk energetics and surface energetics. Monte Carlo simulations are performed to determine the effect of water confinement on the dynamics of surface-induced phase transitions. To relate the simulation rates to the experimental data, the mass-conserving Kawasaki algorithms are also performed.

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Biocavity Lasers

Trends in Biotechnology(TIBTECH)

Gourley, Paul L.

Laser technology has advanced dramatically and is an integral part of today's healthcare delivery system. Lasers are used in the laboratory analysis of human blood samples and serve as surgical tools that kill, burn or cut tissue. Recent semiconductor microtechnology has reduced the size o f a laser to the size of a biological cell or even a virus particle. By integrating these ultra small lasers with biological systems, it is possible to create micro-electrical mechanical systems that may revolutionize health care delivery.

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Comparison of Module Performance Characterization Methods

King, David L.; Boyson, William E.; Kratochvil, Jay A.

The rating and modeling of photovoltaic PW module performance has been of concern to manufacturers and system designers for over 20 years. Both the National Renewable Energy Laboratory (NREL) and Sandia National Laboratories (SNL) have developed methodologies to predict module and array performance under actual operating conditions. This paper compares the two methods of determining the performance of PV modules, The methods translate module performance to actual or reference conditions using slightly different approaches. The accuracy of both methods is compared for both hourly, daily, and annual energy production over a year of data recorded at NREL in Golden, CO. The comparison of the two methods will be presented for five different PV module technologies.

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Removing Barriers to Utility Interconnected Photovoltaic Inverters

Gonzalez, Sigifredo; Bonn, Russell H.; Ginn, Jerry W.

The Million Solar Roofs Initiative has motivated a renewed interest in the development of utility interconnected photovoltaic (UIPV) inverters. Government-sponsored programs (PVMaT, PVBONUS) and competition among utility interconnected inverter manufacturers have stimulated innovations and improved the performance of existing technologies. With this resurgence, Sandia National Laboratories (SNL) has developed a program to assist industry initiatives to overcome barriers to UIPV inverters. In accordance with newly adopted IEEE 929-2000, the utility interconnected PV inverters are required to cease energizing the utility grid when either a significant disturbance occurs or the utility experiences an interruption in service. Compliance with IEEE 929-2000 is being widely adopted by utilities as a minimum requirement for utility interconnection. This report summarizes work done at the SNL balance-of-systems laboratory to support the development of IEEE 929-2000 and to assist manufacturers in meeting its requirements.

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Threshold Assessment: Definition of Acceptable Sites as Part of Site Selection for the Japanese HLW Program

Mckenna, Sean A.; Webb, Erik K.

For the last ten years, the Japanese High-Level Nuclear Waste (HLW) repository program has focused on assessing the feasibility of a basic repository concept, which resulted in the recently published H12 Report. As Japan enters the implementation phase, a new organization must identify, screen and choose potential repository sites. Thus, a rapid mechanism for determining the likelihood of site suitability is critical. The threshold approach, described here, is a simple mechanism for defining the likelihood that a site is suitable given estimates of several critical parameters. We rely on the results of a companion paper, which described a probabilistic performance assessment simulation of the HLW reference case in the H12 report. The most critical two or three input parameters are plotted against each other and treated as spatial variables. Geostatistics is used to interpret the spatial correlation, which in turn is used to simulate multiple realizations of the parameter value maps. By combining an array of realizations, we can look at the probability that a given site, as represented by estimates of this combination of parameters, would be good host for a repository site.

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SEMI Modeling and Simulation Roadmap

MST News

Hermina, Wahid L.

With the exponential growth in the power of computing hardware and software, modeling and simulation is becoming a key enabler for the rapid design of reliable Microsystems. One vision of the future microsystem design process would include the following primary software capabilities: (1) The development of 3D part design, through standard CAD packages, with automatic design rule checks that guarantee the manufacturability and performance of the microsystem. (2) Automatic mesh generation, for 3D parts as manufactured, that permits computational simulation of the process steps, and the performance and reliability analysis for the final microsystem. (3) Computer generated 2D layouts for process steps that utilize detailed process models to generate the layout and process parameter recipe required to achieve the desired 3D part. (4) Science-based computational tools that can simulate the process physics, and the coupled thermal, fluid, structural, solid mechanics, electromagnetic and material response governing the performance and reliability of the microsystem. (5) Visualization software that permits the rapid visualization of 3D parts including cross-sectional maps, performance and reliability analysis results, and process simulation results. In addition to these desired software capabilities, a desired computing infrastructure would include massively parallel computers that enable rapid high-fidelity analysis, coupled with networked compute servers that permit computing at a distance. We now discuss the individual computational components that are required to achieve this vision. There are three primary areas of focus: design capabilities, science-based capabilities and computing infrastructure. Within each of these areas, there are several key capability requirements.

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Steady-state properties of lock-on current filaments in GaAs

IEEE Transactions on Plasma Science

Hjalmarson, Harold P.

Collective impact ionization has been used to explain lock-on in semi-insulating GaAs under high-voltage bias. We have used this theory to study some of the steady-state properties of lock-on current filaments. In steady state, the heat gained from the field is exactly compensated by the cooling due to phonon scattering. In the simplest approximation, the carrier distribution approaches a quasi-equilibrium Maxwell-Boltzmann distribution. In this report, we examine the validity of this approximation. We find that this approximation leads to a filament carrier density that is much lower than the high density needed to achieve a quasi-equilibrium distribution. Further work on this subject is in progress.

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Characterization of Sidewall and Planar Surfaces of Electroformed LIGA Parts

Prasad, Somuri V.; Hall, Aaron; Dugger, Michael T.

The nature of surfaces and the way they interact with each other during sliding contact can have a direct bearing on the performance of a microelectromechanical (MEMS) device. Therefore, a study was undertaken to characterize the surfaces of LIGA fabricated Ni and Cu components. Sidewall and planar surfaces were examined by scanning electron microscopy (SEM) and atomic force microscopy (AFM). Surface roughness was quantified using the AFM. Post-processing (e.g. lapping, removal of polymer film) can profoundly influence the morphology of LIGA components. Edge rounding and smearing of ductile materials during lapping can result in undesirable sidewall morphologies. By judicious selection of AFM scan sizes, the native roughness ({approximately}10 nm RMS) can be distinguished from that arising due to post processing, e.g. scratches, debris, polymer films. While certain processing effects on morphology such as those due to lapping or release etch can be controlled, the true side wall morphology appears to be governed by the morphology of the polymer mold or by the electroforming process itself, and may be much less amenable to modification.

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RIBE Flux vs. Position Monitor

Hamilton, Thomas W.

Recent work at SNL has demonstrated unique capabilities to experimentally measure a variety of ion and neutral particle parameters inside surface features being etched, including ion energy, angular distributions, ion and neutral species measurements. This report details the construction of one recent laboratory tool designed to measure ion beam uniformity over the wafer surface in a reactive ion beam etch system, (RIBE). This information is critical to the development of accurate plasma processing computer models and simulation methods, and is essential for reducing the cost of introducing new processing technologies.

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Approximate Public Key Authentication with Information Hiding

Thomas, Edward V.; Draelos, Timothy J.

This paper describes a solution for the problem of authenticating the shapes of statistically variant gamma spectra while simultaneously concealing the shapes and magnitudes of the sensitive spectra. The shape of a spectrum is given by the relative magnitudes and positions of the individual spectral elements. Class-specific linear orthonormal transformations of the measured spectra are used to produce output that meet both the authentication and concealment requirements. For purposes of concealment, the n-dimensional gamma spectra are transformed into n-dimensional output spectra that are effectively indistinguishable from Gaussian white noise (independent of the class). In addition, the proposed transformations are such that statistical authentication metrics computed on the transformed spectra are identical to those computed on the original spectra.

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Equation of State Measurements of Materials Using a Three-Stage Gun to Impact Velocities of 11km/s

Reinhart, William D.; Chhabildas, L.C.; Carroll, Daniel E.

Understanding high pressure behavior of homogeneous as well as heterogeneous materials is necessary in order to address the physical processes associated with hypervelocity impact events related to space science applications including orbital debris impact and impact lethality. At very high impact velocities, material properties will be subjugated to phase-changes, such as melting and vaporization. These phase states cannot be obtained through conventional gun technology. These processes need to be represented accurately in hydrodynamic codes to allow credible computational analysis of impact events resulting from hypervelocity impact. In this paper, techniques that are being developed and implemented to obtain the needed shock loading parameters (Hugoniot states) for material characterization studies, namely shock velocity and particle velocity, will be described at impact velocities up to 11 km/s. What is new in this report is that these techniques are being implemented for use at engagement velocities never before attained utilizing two-stage light-gas gun technology.

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Development of a One-Equation Transition/Turbulence Model

AIAA Journal

Roy, Christopher J.; Blottner, Frederick G.

This paper reports on the development of a unified one-equation model for the prediction of transitional and turbulent flows. An eddy viscosity - transport equation for non-turbulent fluctuation growth based on that proposed by Warren and Hassan (Journal of Aircraft, Vol. 35, No. 5) is combined with the Spalart-Allmaras one-equation model for turbulent fluctuation growth. Blending of the two equations is accomplished through a multidimensional intermittence function based on the work of Dhawan and Narasimha (Journal of Fluid Mechanics, Vol. 3, No. 4). The model predicts both the onset and extent of transition. Low-speed test cases include transitional flow over a flat plate, a single element airfoil, and a multi-element airfoil in landing configuration. High-speed test cases include transitional Mach 3.5 flow over a 5{degree} cone and Mach 6 flow over a flared-cone configuration. Results are compared with experimental data, and the spatial accuracy of selected predictions is analyzed.

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High J{sub c} YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} Films via Rapid, Low pO{sub 2} Pyrolysis

Journal of Materials Research

Dawley, Jeffrey T.; Clem, Paul; Siegal, Michael P.; Overmyer, Donald L.

In this investigation, YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} (YBCO) films were fabricated via a metal acetate, trifluoroacetic acid based sol-gel route, and spin-coat deposited on (100) LaAlO{sub 3} with a focus on maximizing J{sub c}, while minimizing processing time. We demonstrate that the use of a low pO{sub 2} atmosphere during the pyrolysis stage can lead to at least a tetiold reduction in pyrolysis time, compared to a 1 atm. O{sub 2} ambient. High-quality YBCO films on LaAlO{sub 3}, with J{sub c} values up to 3 MA/cm{sup 2} at 77 K, can be routinely crystallized from these rapidly pyrolyzed films.

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The Accelerated Site Technology Deployment Program/Segmented Gate System Project

Patteson, Raymond

The Department of Energy (DOE) is working to accelerate the acceptance and application of innovative technologies that improve the way the nation manages its environmental remediation problems. The DOE Office of Science and Technology established the Accelerated Site Technology Deployment Program (ASTD) to help accelerate the acceptance and implementation of new and innovative soil and ground water remediation technologies. Coordinated by the Department of Energy's Idaho Office, the ASTD Program reduces many of the classic barriers to the deployment of new technologies by involving government, industry, and regulatory agencies in the assessment, implementation, and validation of innovative technologies. Funding is provided through the ASTD Program to assist participating site managers in implementing innovative technologies. The program provides technical assistance to the participating DOE sites by coordinating DOE, industry, and regulatory participation in each project; providing finds for optimizing full-scale operating parameters; coordinating technology performance monitoring; and by developing cost and performance reports on the technology applications.

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High molecular orientation in mono- and trilayer polydiacetylene films imaged by atomic force microscopy

Journal of Colloid and Interface Science

Sasaki, Darryl Y.; Burns, Alan R.

Atomically flat monolayer and trilayer films of polydiacetylenes have been prepared on mica and silicon using a horizontal deposition technique from a pure water subphase. Langmuir films of 10,12-pentacosadiynoic acid (I) and N-(2-ethanol)-10,12-pentacosadiynamide (II) were compressed to 20 mN/m and subsequently polymerized by UV irradiation at the air-water interface. Blue and red forms of the films were prepared by varying exposure times and incident power. Polymerization to the blue-phase films produced slight contractions of 2 and 5% for the films of II and I, respectively. Longer UV exposures yielded red-phase films with dramatic film contraction of 15 and 32% for II and I, respectively. The horizontal deposition technique provided transfer ratios of unity with minimal film stress or structure modification. Atomic force microscopy images revealed nearly complete coverage of the substrate with atomically flat films. Crystalline domains of up to 100 micrometers of highly oriented polydiacetylene molecules were observed. The results reported herein provide insight into the roles of molecular packing and chain orientations in converting the monomeric film to the polymerized blue and red phases. (C) 2000 Academic Press.

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Techniques for Equation-of-State Measurements on a Three-Stage Light-Gas Gun

Reinhart, William D.; Chhabildas, L.C.

Understanding high pressure behavior materials is necessary in order to address the physical processes associated with hypervelocity impact events related to space science applications including orbital debris impact and impact lethality. Until recently the highest-pressure states in materials have been achieved from impact loading techniques from two-stage light gas guns with velocity limitations of approximately 81cm/s. In this paper, techniques that are being developed and implemented to obtain the needed shock loading parameters (Hugoniot states) for material characterization studies, namely shock velocity and particle velocity, will be described at impact velocities up to 11 kds. The determination of equation-of-state (EOS) and thermodynamic states of materials in the regimes of extreme high pressures is now attainable utilizing the three-stage launcher. What is new in this report is that these techniques are being implemented for use at engagement velocities never before attained utilizing two-stage light-gas gun technology. The design and test methodologies used to determine Hugoniot states are described in this paper.

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Methods for Multisweep Automation

Shepherd, Jason F.; Mitchell, Scott A.; Knupp, Patrick K.; White, David R.

Sweeping has become the workhorse algorithm for creating conforming hexahedral meshes of complex models. This paper describes progress on the automatic, robust generation of MultiSwept meshes in CUBIT. MultiSweeping extends the class of volumes that may be swept to include those with multiple source and multiple target surfaces. While not yet perfect, CUBIT's MultiSweeping has recently become more reliable, and been extended to assemblies of volumes. Sweep Forging automates the process of making a volume (multi) sweepable: Sweep Verification takes the given source and target surfaces, and automatically classifies curve and vertex types so that sweep layers are well formed and progress from sources to targets.

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Control and Elimination of Cracking of AlGaN Using Low-Temperature AlGaN Interlayers

Applied Physics Letters

Han, J.; Waldrip, Karen E.; Lee, Stephen R.; Figiel, Jeffrey J.; Peterscn, G.A.; Myers, Samuel M.

We demonstrate that the insertion of low-temperature (LT) AlGaN interlayers is effective in reducing mismatch-induced tensile stress and suppressing the formation of cracks during growth of AlGaN directly upon GaN epilayers., Stress evolution and relaxation is monitored using an in-situ optical stress sensor. The combination of in-situ and ex-situ. characterization techniques enables us to determine the degree of pseudomorphism in the interlayers. It is observed that the elastic tensile mismatch between AlGaN and GaN is mediated by the relaxation of interlayers; the use of interlayers offers tunability in the in-plane lattice parameters.

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Practical Improvements to the Lee-More Conductivity Near the Metal-Insulator Transition

Plasma Physics

Desjarlais, Michael P.

The wide-range conductivity model of Lee and More is modified to allow better agreement with recent experimental data and theories for dense plasmas in the metal-insulator transition regime. Modifications primarily include a new ionization equilibrium model, consisting of a smooth blend between single ionization Saha (with a pressure ionization correction) and the generic Thomas-Fermi ionization equilibrium, a more accurate treatment of electron-neutral collisions using a polarization potential, and an empirical modification to the minimum allowed collision time. These simple modifications to the Lee-More algorithm permit a more accurate modeling of the physics near the metal-insulator transition, while preserving the generic Lee-More results elsewhere.

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Issues in Purchasing and Maintaining Intrinsic Standards

Cal. Lab Magazine

Pettit, Richard B.

Intrinsic standards are widely used in the metrology community because they realize the best level uncertainty for many metrology parameters. For some intrinsic standards, recommended practices have been developed to assist metrologists in the selection of equipment and the development of appropriate procedures in order to realize the intrinsic standard. As with the addition of any new standard, the metrology laboratory should consider the pros and cons relative to their needs before purchasing the standard so that the laboratory obtains the maximum benefit from setting up and maintaining these standards. While the specific issues that need to be addressed depend upon the specific intrinsic standard and the level of realization, general issues that should be considered include ensuring that the intrinsic standard is compatible with the laboratory environment, that the standard is compatible with the current and future workload, and whether additional support standards will be required in order to properly maintain the intrinsic standard. When intrinsic standards are used to realize the best level of uncertainty for a specific metrology parameter, they usually require critical and important maintenance activities. These activities can including training of staff in the system operation, as well as safety procedures; performing periodic characterization measurements to ensure proper system operation; carrying out periodic intercomparisons with similar intrinsic standards so that proper operation is demonstrated; and maintaining control or trend charts of system performance. This paper has summarized many of these important issues and therefore should be beneficial to any laboratory that is considering the purchase of an intrinsic standard.

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Developing ``SMART'' Equipment and Systems through Collaborative NERI Research and Development: A First Year of Progress

Chapman, Leon D.

The US Department of Energy (DOE) created the Nuclear Energy Research Initiative (NERI) in 1999 to conduct research and development with the objectives of: (1) overcoming the principal technical obstacles to expanded nuclear energy use, (2) advancing the state of nuclear technology to maintain its competitive position in domestic and world markets, and (3) improving the performance, efficiency, reliability, and economics of nuclear energy. The NERI program is now beginning its second year with increased funding and an emphasis on international participation. Among the programs selected for funding was the ``Smart Equipment and Systems to Improve Reliability and Safety in Future Nuclear Power Plant Operations''. This program is a 36 month collaborative effort bringing together the technical capabilities of Westinghouse Nuclear Automation, Sandia National Laboratories, Duke Engineering and Services (DE and S), Massachusetts Institute of Technology (MIT) and Pennsylvania State University (PSU). The goal of the program is to design, develop, and evaluate an integrated set of tools and methodologies that can improve the reliability and safety of advanced nuclear power plants through the introduction of smart equipment and predictive maintenance technology. The results have implications for reduced construction costs. This paper discusses: (1) the goals and significance of the program, (2) the significant achievements of the program's first year and the current direction for its continuing efforts and (3) potential cooperation with the domestic nuclear and component manufacturing industries, and with international organizations.

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Step- versus kink-formation energies on Pt(111)

Surface Science

Feibelman, Peter J.

Ab initio kink-formation energies are about 0.25 and 0.18 eV on the (100)- and (111)-microfacet steps of Pt(111), while the sum of the step-formation energies is approximately 0.75 eV/atom. These results imply a specific ratio of formation energies for the two step types, namely 1.14, in excellent agreement with experiment. If kink-formation costs the same energy on the two step types, an inference recently drawn from scanning probe observations of step wandering, this ratio ought to be unity.

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H-Morph: An indirect approach to advancing front hex meshing

International Journal for Numerical Methods in Engineering

Owen, Steven J.

H-Morph is a new automatic algorithm for the generation of a hexahedral-dominant finite element mesh for arbitrary volumes. The H-Morph method starts with an initial tetrahedral mesh and systematically transforms and combines tetrahedra into hexahedra. It uses an advancing front technique where the initial front consists of a set of prescribed quadrilateral surface facets. Fronts arc individually processed by recovering each of the six quadrilateral faces of a hexahedron from the tetrahedral mesh. Recovery techniques similar to those used in boundary constrained Delaunay mesh generation are used. Tetrahedra internal to the six hexahedral faces are then removed and a hexahedron is formed. At any time during the H-Morph procedure a valid mixed hexahedral-tetrahedral mesh is in existence within the volume. The procedure continues until no tetrahedra remain within the volume, or tetrahedra remain which cannot be transformed or combined into valid hexahedral elements. Any remaining tetrahedra are typically towards the interior of the volume, generally a less critical region for analysis. Transition from tetrahedra to hexahedra in the final mesh is accomplished through pyramid-shaped elements. Advantages of the proposed method include its ability to conform to an existing quadrilateral surface mesh, its ability to mesh without the need to decompose or recognize special classes of geometry, and its characteristic well-aligned layers of elements parallel to the boundary. Example test cases are presented on a variety of models. Copyright © 2000 John Wiley & Sons, Ltd.

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Quasistatic Shock Waves: A Mechanism for Nonuniform Compaction in Porous Rock

Journal of Geophysical Research

Olsson, William A.

Recent studies have observed compaction zones pass through porous rock under axisymmetric compression. An initially thin, compacted layer appears at the yield point of the stress-strain curve and then grows by thickening in the direction of maximum compression at constant stress. Strain localization theory has been applied to compaction to explain the formation of these features. This paper describes the growth of the compaction zones, that is, the propagation of their boundaries, in terms of shock wave analysis. The ratio of the applied shortening rate to the velocity of the boundary is related to the porosity change across the boundary. Certain features of the stress-strain curve are explained by the model.

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Successes and Experiences of the WIPP Project

Chu, Sze-Tai Y.; Weart, Wendell D.

In May 1998, the US Environmental Agency (EPA) certified the US Department of Energy's (DOE) Waste Isolation Pilot Plant (WIPP) as being in compliance with all of the applicable regulations governing the permanent disposal of spent nuclear fuel, high-level waste, and transuranic radioactive waste. The WIPP, a transuranic waste repository, is the first deep geologic repository in the US to have successfully demonstrated regulatory compliance with long-term radioactive waste disposal regulations and be certified to receive wastes. Many lessons were learned throughout the 25-year history of the WIPP--from site selection to the ultimate successful certification. The experiences and lessons learned from the WIPP may be of general interest to other repository programs in the world. The lessons learned include all facets of a repository program: programmatic, managerial, regulatory, technical, and social. This paper addresses critical issues that arose during the 25 years of WIPP history and how they influenced the program.

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Simulation and design of InGaAsN-based heterojunction bipolar transistors for complementary low-power applications

Solid-State Electronics

Monier, C.; Chang, P.C.; Baca, Albert G.

The performance capabilities of pnp InGaAsN-based heterojunction bipolar transistors (HBTs) for use in complementary HBT technology have been theoretically addressed with a two-dimensional simulation program based on the drift-diffusion model. Simulation results closely reproduce the DC characteristics experimentally observed from the first demonstrated pnp AlGaAs/InGaAsN HBT with a current gain of 18 and a turn-on voltage around 0.89 V. Numerous design approaches have been explored to maximize the transistor performances. As a result, a substantial improvement of the DC current gain (by a factor of 2-3) and high-frequency operation performances (with fT and fMAX values up to 10 GHz) can be easily achieved with the proper use of varying base thickness XB and dopant-graded base. The effect of the quaternary band-gap value EG is also addressed. Simulation results show that pnp device with turn-on voltage approximately 0.7 V can be produced by lowering EG to 1.0 eV, without any important degradation of DC and RF properties, because hole transport at the emitter/base side is not strongly affected. The replacement of the InGaAsN collector by GaAs is finally reported. Comparable DC and improved RF simulated performances are observed from this double HBT structure that takes advantages of the negligible valence band offset at the base/collector interface. These encouraging performances demonstrate the practicability of using InGaAsN-based HBTs for complementary low-power applications.

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Compact vs. Exponential-Size LP Relaxations

Carr, Robert D.; Lancia, G.

In this paper we introduce by means of examples a new technique for formulating compact (i.e. polynomial-size) LP relaxations in place of exponential-size models requiring separation algorithms. In the same vein as a celebrated theorem by Groetschel, Lovasz and Schrijver, we state the equivalence of compact separation and compact optimization. Among the examples used to illustrate our technique, we introduce a new formulation for the Traveling Salesman Problem, whose relaxation we show equivalent to the subtour elimination relaxation.

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The Rise of Federally Funded Research and Development Centers

Dale, Bruce C.

Federally funded research and development centers (FFRDCS) area unique class of research and development (R and D) facilities that share aspects of private and public ownership. Some FFRDCS have been praised as national treasures, but FFRDCS have also been the focus of much criticism through the years. This paper traces the history of FFRDCS through four periods: (1) the World War II era, which saw the birth of federal R and D centers that would eventually become FFRDCS; (2) the early Cold War period, which exhibited a proliferation of FFRDCS despite their unclear legislative status and growing tension with an increasingly capable and assertive defense industry, (3) there-evaluation and retrenchment of FFRDCS in the 1960s and early 1970s, which resulted in a dramatic decline in the number of FFRDCS; and (4) the definition and codification of the FFRDC entity in the late 1970s and 1980s, when Congress and the executive branch worked together to formalize regulations to control FFRDCS. The paper concludes with observations on the status of FFRDCS at the end of the twentieth century.

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Disturbance Rejection Control of an Electromagnetic Bearing Spindle

Redmond, James M.

The force exerted on the rotor by an active magnetic bearing (AMB) is determined by the current flow in the magnet coils. This force can be controlled very precisely, making magnetic bearings a potential benefit for grinding, where cutting forces act as external disturbances on the shaft, resulting in degraded part finish. It is possible to achieve precise shaft positioning, reduce vibration of the shaft caused by external disturbances, and even damp out resonant modes. Adaptive control is an appealing approach for these systems because the controller can tune itself to account for an unknown periodic disturbance, such as cutting or grinding forces, injected into the system. In this paper the authors show how one adaptive control algorithm can be applied to an AMB system with a periodic disturbance applied to the rotor. An adaptive algorithm was developed and implemented in both simulation and hardware, yielding significant reductions in rotor displacement in the presence of an external excitation. Ultimately, this type of algorithm could be applied to a magnetic bearing grinder to reduce unwanted motion of the spindle which leads to poor part finish and chatter.

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On the Development of a Gridless Inflation Code for Parachute Simulations

Strickland, James H.; Homicz, Gregory F.; Gossler, Albert A.; Wolfe, Walter P.; Porter, Vicki L.

In this paper the authors present the current status of an unsteady 3D parachute simulation code which is being developed at Sandia National Laboratories under the Department of Energy's Accelerated Strategic Computing Initiative (ASCI). The Vortex Inflation PARachute code (VIPAR) which embodies this effort will eventually be able to perform complete numerical simulations of ribbon parachute deployment, inflation, and steady descent. At the present time they have a working serial version of the uncoupled fluids code which can simulate unsteady 3D incompressible flows around bluff bodies made up of triangular membrane elements. A parallel version of the code has just been completed which will allow one to compute flows over complex geometries utilizing several thousand processors on one of the new DOE teraFLOP computers.

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MHD Modeling of Conductors at Ultra-High Current Density

IEEE Transactions in Plasma Science

Rosenthal, Stephen E.; Desjarlais, Michael P.; Spielman, Rick; Stygar, William A.; Asay, J.R.

In conjunction with ongoing high-current experiments on Sandia National Laboratories' Z accelerator, the authors have revisited a problem first described in detail by Heinz Knoepfel. Unlike the 1-Tesla MITLs of pulsed power accelerators used to produce intense particle beams, Z's disc transmission line (downstream of the current addition) is in a 100--1,200 Tesla regime, so its conductors cannot be modeled simply as static infinite conductivity boundaries. Using the MHD code MACH2 they have been investigating the conductor hydrodynamics, characterizing the joule heating, magnetic field diffusion, and material deformation, pressure, and velocity over a range of current densities, current rise-times, and conductor materials. Three purposes of this work are (1) to quantify power flow losses owing to ultra-high magnetic fields, (2) to model the response of VISAR diagnostic samples in various configurations on Z, and (3) to incorporate the most appropriate equation of state and conductivity models into the MHD computations. Certain features are strongly dependent on the details of the conductivity model.

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ACRES: An Efficient Method for First-Principles Electronic Structure Calculations of Complex Systems

Modelling and Simulation in Materials Science Engineering

Modine, Normand A.

The authors discuss their new implementation of the Adaptive Coordinate Real-space Electronic Structure (ACRES) method for studying the atomic and electronic structure of infinite periodic as well as finite systems, based on density functional theory. This improved version aims at making the method widely applicable and efficient, using high performance Fortran on parallel architectures. The scaling of various parts of an ACRES calculation is analyzed and compared to that of plane-wave based methods. The new developments that lead to enhanced performance, and their parallel implementation, are presented in detail. They illustrate the application of ACRES to the study of elemental crystalline solids, molecules and complex crystalline materials, such as blue bronze and zeolites.

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An Embedded System for Safe, Secure and Reliable Execution of High Consequence Software

McCoy, James A.

As more complex and functionally diverse requirements are placed on high consequence embedded applications, ensuring safe and secure operation requires an execution environment that is ultra reliable from a system viewpoint. In many cases the safety and security of the system depends upon the reliable cooperation between the hardware and the software to meet real-time system throughput requirements. The selection of a microprocessor and its associated development environment for an embedded application has the most far-reaching effects on the development and production of the system than any other element in the design. The effects of this choice ripple through the remainder of the hardware design and profoundly affect the entire software development process. While state-of-the-art software engineering principles indicate that an object oriented (OO) methodology provides a superior development environment, traditional programming languages available for microprocessors targeted for deeply embedded applications do not directly support OO techniques. Furthermore, the microprocessors themselves do not typically support nor do they enforce an OO environment. This paper describes a system level approach for the design of a microprocessor intended for use in deeply embedded high consequence applications that both supports and enforces an OO execution environment.

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When Materials Matter--Analyzing, Predicting, and Preventing Disasters

Matalucci, R.V.; O'Connor, Sharon L.

The mission of the Architectural Surety{trademark} program at Sandia National Laboratories is to assure the performance of buildings, facilities, and other infrastructure systems under normal, abnormal, and malevolent threat conditions. Through educational outreach efforts in the classroom, at conferences, and presentations such as this one, public and professional awareness of the need to defuse and mitigate such threats is increased. Buildings, airports, utilities, and other kinds of infrastructure deteriorate over time, as evidenced most dramatically by the crumbling cities and aging buildings, bridges, and other facility systems. Natural disasters such as tornadoes, earthquakes, hurricanes, and flooding also stress the materials and structural elements of the built environment. In addition, criminals, vandals, and terrorists attack federal buildings, dams, bridges, tunnels, and other public and private facilities. Engineers and architects are beginning to systematically consider these threats during the design, construction, and retrofit phases of buildings and infrastructures and are recommending advanced research in new materials and techniques. Existing building codes and standards do not adequately address nor protect the infrastructure or the public from many of these emerging threats. The activities in Sandia National Laboratories' Architectural Surety{trademark} efforts take a risk management approach to enhancing the safety, security, and reliability of the constructed environment. The technologies and techniques developed during Sandia's 50 years as the nation's lead laboratory for nuclear weapons surety are now being applied to assessing and reducing the vulnerability of dams, to enhancing the safety and security of staff in foreign embassies, and assuring the reliability of other federal facilities. High consequence surety engineering and design brings together technological advancements, new material requirements, systems integration, and risk management to improve the safety, security, and reliability of the as-built environment. The thrust of this paper is the role that new materials can play in protecting the infrastructure. Retrofits of existing buildings, innovative approaches to the design and construction of new facilities, and the mitigation of consequences in the event of an unpreventable disaster are some of the areas that new construction materials can benefit the Architectural Surety{trademark} of the constructed environment.

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Environmental Testing Philosophy for a Sandia National Laboratories' Small Satellite Project - A Retrospective

Cap, Jerome S.

Sandia has recently completed the flight certification test series for the Multi-Spectral Thermal Imaging satellite (MTI), which is a small satellite for which Sandia was the system integrator. A paper was presented at the 16th Aerospace Testing Seminar discussing plans for performing the structural dynamics certification program for that satellite. The testing philosophy was originally based on a combination of system level vibroacoustic tests and component level shock and vibration tests. However, the plans evolved to include computational analyses using both Finite Element Analysis and Statistical Energy Analysis techniques. This paper outlines the final certification process and discuss lessons learned including both things that went well and things that should/could have been done differently.

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Unanticipated Effects of Epoxy Impregnating Transformers

Sanchez, Robert O.; Archer, Wendel E.

Many Sandia components for military applications are designed for a 20-year life. In order to determine if magnetic components meet that requirement, the parts are subjected to selected destructive tests. This paper reviews the re-design of a power transformer and the tests required to prove-in the re-design. The re-design included replacing the Epon 828/Mica/methylenedianiline (curing agent Z) epoxy encapsulant with a recent Sandia National Laboratory (SNL) developed epoxy encapsulant. The new encapsulant reduces the Environmental Safety and Health (ES and H) hazards. Life testing of this re-designed transformer generated failures; an open secondary winding. An experimental program to determine the cause of the broken wires and an improved design to eliminate the problem was executed. This design weakness was corrected by reverting to the hazardous epoxy system.

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Segmented Aluminum Honeycomb Characteristics in T-Direction, Dynamic Crush Environments

Bateman, Vesta I.; Brown, Frederick A.; Nusser, Michael A.; Swanson, Lloyd H.

Thirteen segmented aluminum honeycomb samples (5 in. diameter and 1.5 in. height) have been crushed in an experimental configuration that uses a drop table impact machine. The 38.0 pcf bulk density samples are a unique segmented geometry that allows the samples to be crushed while maintaining a constant cross-sectional area. A crush weight of 175 lb was used to determine the rate sensitivity of the honeycomb's highest strength orientation, T-direction, in a dynamic environment of {approx}50 fps impact velocity. Experiments were conducted for two honeycomb manufacturers and at two temperatures, ambient and +165 F. Independent measurements of the crush force were made with a custom load cell and a force derived from acceleration measurements on the drop table using the Sum of Weighted Accelerations Technique with a Calibrated Force (SWAT-CAL). Normalized stress-strain curves for all thirteen experiments are included and have excellent repeatability. These data are strictly valid for material characteristics in the T orientation because the cross-sectional area of the honeycomb did not change during the crush. The dynamic crush data have a consistent increase in crush strength of {approximately}7--19% as compared to quasi-static data and suggest that dynamic performance may be inferred from static tests. An uncertainty analysis estimates the error in these data is {+-} 11%.

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Strength of Butt and Sharp-Cornered Joints

The Mechanics of Adhesion

Reedy, Earl D.

There has been considerable progress in recent years towards developing a stress intensity factor-based method for predicting crack initiation at a sharp, bimaterial comer. There is now a comprehensive understanding of the nature of multi-material, two-dimensional, linear-elastic, wedge-tip stress fields. In general, the asymptotic stress state at the apex of dissimilar bonded elastic wedges (i.e. at an interface comer) can have one or more power-law singularities of differing strength and with exponents that can be real or complex. There are, however; many configurations of practical importance, (e.g. adhesively bonded butt joints, hi-material beams, etc.) where interface-comer stresses are described by one, real-valued power-law singularity. In such cases, one can reasonably hypothesize that failure occurs at a critical value of the stress intensity factor: when K{sub a}=K{sub ac}.This approach is completely analogous to LEFM except that the critical stress intensity factor is associated with a discontinuity other than a crack. To apply the K{sub ac} criterion, one must be able to accurately calculate K{sub a} for arbitrary geometries. There are several well-established methods for calculating K{sub a}. These include matching asymptotic and detailed finite element results, evaluation of a path-independent contour integral, and general finite element methods for calculating K. for complex geometries. A rapidly expanding catalog of K{sub a} calibrations is now available for a number of geometries of practical interest. These calibrations provide convenient formulas that can be used in a failure analysis without recourse to a detailed numerical analysis. The K{sub ac} criterion has been applied with some notable successes. For example, the variation in strength of adhesively bonded butt joints with bond thickness and the dependence of this relationship on adhered stiffness is readily explained. No other one-parameter fracture criterion is able to make this sort of prediction. Nevertheless, the interface-corner fracture toughness approach is just in its initial states of development, and its strengths and limitations must be more clearly defined. There are still numerous issues yet to be resolved, including the development of methods for treating time-dependent response, three-dimensional comers, large-scale yielding, and the development of a criterion that can be applied when the comer stress state is not characterized by a single K{sub a}.

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A Flexible Real-Time Architecture

Wickstrom, Gregory L.

Assuring hard real-time characteristics of I/O associated with embedded software is often a difficult task. Input-Output related statements are often intermixed with the computational code, resulting in I/O timing that is dependent on the execution path and computational load. One way to mitigate this problem is through the use of interrupts. However, the non-determinism that is introduced by interrupt driven I/O may be so difficult to analyze that it is prohibited in some high consequence systems. This paper describes a balanced hardware/software solution to obtain consistent interrupt-free I/O timing, and results in software that is much more amenable to analysis.

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Evolving the Web-Based Distributed SI/PDO Architecture for High-Performance Visualization

Holmes, Victor P.; Linebarger, John; Miller, John A.; Vandewart, Ruthe L.

The Simulation Intranet/Product Database Operator (SI/PDO) project has developed a Web-based distributed object architecture for high performance scientific simulation. A Web-based Java interface guides designers through the design and analysis cycle via solid and analytical modeling, meshing, finite element simulation, and various forms of visualization. The SI/PDO architecture has evolved in steps towards satisfying Sandia's long-term goal of providing an end-to-end set of services for high fidelity full physics simulations in a high-performance, distributed, and distance computing environment. This paper describes the continuing evolution of the architecture to provide high-performance visualization services. Extensions to the SI/PDO architecture allow web access to visualization tools that run on MP systems. This architecture makes these tools more easily accessible by providing web-based interfaces and by shielding the user from the details of these computing environments. The design is a multi-tier architecture, where the Java-based GUI tier runs on a web browser and provides image display and control functions. The computation tier runs on MP machines. The middle tiers provide custom communication with MP machines, remote file selection, remote launching of services, load balancing, and machine selection. The architecture allows middleware of various types (CORBA, COM, RMI, sockets, etc.) to connect the tiers depending upon the situation. Testing of constantly developing visualization tools can be done in an environment where there are only two tiers which both run on desktop machines. This allows fast testing turnaround and does not use compute cycles on high-performance machines. Once the code and interfaces are tested, they are moved to high-performance machines, and new tiers are added to handle the problems of using these machines. Uniform interfaces are used throughout the tiers to allow this flexibility. Experiments test the appropriate level of interface: either a large set of specific function calls or a small set of generic function calls. This architecture is based on the goals and constraints of the environment: huge data volumes (that cannot be easily moved), use of multiple middleware protocols, MP platform portability, rapid development of the visualization tools, distributed resource management (of MP resources), and the use of existing visualization tools.

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Single-Event Upset and Snapback in Silicon-on-Insulator Devices and Integrated Circuits

IEEE Transactions on Nuclear Science

Dodd, Paul E.; Shaneyfelt, Marty R.; Walsh, David S.; Schwank, James R.; Hash, Gerald L.; Jones, Rhonda L.; Draper, Bruce L.; Winokur, Peter S.

The characteristics Of ion-induced charge collection and single-event upset are studied in SOI transistors and circuits with various body tie structures. Impact ionization effects including single-event snapback are shown to be very important. Focused ion microbeam experiments are used to find single-event snapback drain voltage thresholds in n-channel SOI transistors as a function of device width. Three-Dimensional device simulations are used to determine single-event upset and snapback thresholds in SOI SRAMS, and to study design tradeoffs for various body-tie structures. A window of vulnerability to single-event snapback is shown to exist below the single-event upset threshold. The presence of single-event snapback in commercial SOI SRAMS is confirmed through broadbeam ion testing, and implications for hardness assurance testing of SOI integrated circuits are discussed.

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Field Dependent Dopant Deactivation in Bipolar Devices at Elevated irradiation Temperatures

IEEE Transactions on Nuclear Science

Witczak, Steven C.; Shaneyfelt, Marty R.; Schwank, James R.; Winokur, Peter S.

Metal-oxide-silicon capacitors fabricated in a bi-polar process were examined for densities of oxide trapped charge, interface traps and deactivated substrate acceptors following high-dose-rate irradiation at 100 C. Acceptor neutralization near the Si surface occurs most efficiently for small irradiation biases in depletion. The bias dependence is consistent with compensation and passivation mechanisms involving the drift of H{sup +} ions in the oxide and Si layers and the availability of holes in the Si depletion region. Capacitor data from unbiased irradiations were used to simulate the impact of acceptor neutralization on the current gain of an npn bipolar transistor. Neutralized acceptors near the base surface enhance current gain degradation associated with radiation-induced oxide trapped charge and interface traps by increasing base recombination. The additional recombination results from the convergence of carrier concentrations in the base and increased sensitivity of the base to oxide trapped charge. The enhanced gain degradation is moderated by increased electron injection from the emitter. These results suggest that acceptor neutralization may enhance radiation-induced degradation of linear circuits at elevated temperatures.

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Lead (Pb)-Free Solder Applications

Vianco, Paul T.

Legislative and marketing forces both abroad and in the US are causing the electronics industry to consider the use of Pb-free solders in place of traditional Sn-Pb alloys. Previous case studies have demonstrated the satisfactory manufacturability and reliability of several Pb-free compositions for printed circuit board applications. Those data, together with the results of fundamental studies on Pb-free solder materials, have indicated the general feasibility of their use in the broader range of present-day, electrical and electronic components.

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Heat-Pipe Wick Characterization

Andraka, Charles E.

The development of liquid metal heat-pipes for use in solar powered Stirling engines has led to an in-depth analysis of heat-pipe wick properties. To model the flow of liquid sodium through the wick its two-phase permeability measurement is of interest. The permeability will be measured by constructing a test cell made up of a wick sample sintered to a manifold. Measuring the volumetric flow rate through the wick will allow for a determination of the wick's permeability as a function of pressure. Currently, simple estimates of permeability as a function of vapor fraction of a porous media are being used as a model to calculate the two-phase permeability. The above mentioned experiment will be used to test the existing formulas validity. The plan is to make use of a known procedure for testing permeability and apply those techniques to a felt-metal wick. The results will be used to verify and/or modify the two-phase permeability estimates. With the increasing desire to replace directly illuminated engines with the much more efficient heat-pipe apparatus it is inherently clear that the usefulness of known wick properties will make wick permeability design a simpler process.

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Microbially Induced Iron Oxidation: What, Where, How

Provencio, P.N.

From the results of the different bacterial cells seen, it is fairly certain that Gallionella is present because of the bean-shaped cells and twisted stalks found with the TEM. The authors cannot confirm, though, what other iron-oxidizing genera exist in the tubes, since the media was only preferential and not one that isolated a specific genus of bacteria. Based on the environment in which they live and the source of the water, they believe their cultures contain Gallionella, Leptothrix, and possibly Crenothrix and Sphaerotilus. They believe the genus Leptothrix rather than Sphaerotilus exist in the tubes because the water source was fresh, unlike the polluted water in which Sphaerotilus are usually found. The TEM preparations worked well. The cryogenic method rapidly froze the cells in place and allowed them to view their morphology. The FAA method, as stated previously, was the best of the three methods because it gave the best contrast. The gluteraldehyde samples did not come out as well. It is possible that the gluteraldehyde the authors prepared was still too concentrated and did not mix well. Although these bacteria were collected from springs and then cultured in an environment containing a presumably pure iron-bearing metal, it seems the tube already containing Manganese Gradient Medium could be used with a piece of metal containing these bacteria. A small piece of corroding metal could then be inserted into the test tube and cultured to study the bacteria.

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Results 90601–90800 of 99,299
Results 90601–90800 of 99,299