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Extended defense systems :I. adversary-defender modeling grammar for vulnerability analysis and threat assessment

Merkle, Peter B.

Vulnerability analysis and threat assessment require systematic treatments of adversary and defender characteristics. This work addresses the need for a formal grammar for the modeling and analysis of adversary and defender engagements of interest to the National Nuclear Security Administration (NNSA). Analytical methods treating both linguistic and numerical information should ensure that neither aspect has disproportionate influence on assessment outcomes. The adversary-defender modeling (ADM) grammar employs classical set theory and notation. It is designed to incorporate contributions from subject matter experts in all relevant disciplines, without bias. The Attack Scenario Space U{sub S} is the set universe of all scenarios possible under physical laws. An attack scenario is a postulated event consisting of the active engagement of at least one adversary with at least one defended target. Target Information Space I{sub S} is the universe of information about targets and defenders. Adversary and defender groups are described by their respective Character super-sets, (A){sub P} and (D){sub F}. Each super-set contains six elements: Objectives, Knowledge, Veracity, Plans, Resources, and Skills. The Objectives are the desired end-state outcomes. Knowledge is comprised of empirical and theoretical a priori knowledge and emergent knowledge (learned during an attack), while Veracity is the correspondence of Knowledge with fact or outcome. Plans are ordered activity-task sequences (tuples) with logical contingencies. Resources are the a priori and opportunistic physical assets and intangible attributes applied to the execution of associated Plans elements. Skills for both adversary and defender include the assumed general and task competencies for the associated plan set, the realized value of competence in execution or exercise, and the opponent's planning assumption of the task competence.

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Model reduction of systems with localized nonlinearities

Segalman, Daniel J.

An LDRD funded approach to development of reduced order models for systems with local nonlinearities is presented. This method is particularly useful for problems of structural dynamics, but has potential application in other fields. The key elements of this approach are (1) employment of eigen modes of a reference linear system, (2) incorporation of basis functions with an appropriate discontinuity at the location of the nonlinearity. Galerkin solution using the above combination of basis functions appears to capture the dynamics of the system with a small basis set. For problems involving small amplitude dynamics, the addition of discontinuous (joint) modes appears to capture the nonlinear mechanics correctly while preserving the modal form of the predictions. For problems involving large amplitude dynamics of realistic joint models (macro-slip), the use of appropriate joint modes along with sufficient basis eigen modes to capture the frequencies of the system greatly enhances convergence, though the modal nature the result is lost. Also observed is that when joint modes are used in conjunction with a small number of elastic eigen modes in problems of macro-slip of realistic joint models, the resulting predictions are very similar to those of the full solution when seen through a low pass filter. This has significance both in terms of greatly reducing the number of degrees of freedom of the problem and in terms of facilitating the use of much larger time steps.

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NAS battery demonstration at American Electric Power:a study for the DOE energy storage program

Huff, Georgianne H.

The first U.S. demonstration of the NGK sodium/sulfur battery technology was launched in August 2002 when a prototype system was installed at a commercial office building in Gahanna, Ohio. American Electric Power served as the host utility that provided the office space and technical support throughout the project. The system was used to both reduce demand peaks (peak-shaving operation) and to mitigate grid power disturbances (power quality operation) at the demonstration site. This report documents the results of the demonstration, provides an economic analysis of a commercial sodium/sulfur battery energy storage system at a typical site, and describes a side-by-side demonstration of the capabilities of the sodium/sulfur battery system, a lead-acid battery system, and a flywheel-based energy storage system in a power quality application.

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Geologic technical assessment of the Chacahoula Salt Dome, Louisiana, for potential expansion of the U.S. strategic petroleum reserve

Lord, Anna S.; Rautman, Christopher A.

The Chacahoula salt dome, located in southern Louisiana, approximately 66 miles southwest of New Orleans, appears to be a suitable site for a 160-million-barrel-capacity expansion facility for the U.S. Strategic Petroleum Reserve, comprising sixteen 10-million barrel underground storage caverns. The overall salt dome appears to cover an area of some 1800 acres, or approximately 2.8 square miles, at a subsea elevation of 2000 ft, which is near the top of the salt stock. The shallowest known salt is present at 1116 ft, subsea. The crest of the salt dome is relatively flatlying, outward to an elevation of -4000 ft. Below this elevation, the flanks of the dome plunge steeply in all directions. The dome appears to comprise two separate spine complexes of quasi-independently moving salt. Two mapped areas of salt overhang, located on the eastern and southeastern flanks of the salt stock, are present below -8000 ft. These regions of overhang should present no particular design issues, as the conceptual design SPR caverns are located in the western portion of the dome. The proposed cavern field may be affected by a boundary shear zone, located between the two salt spines. However, the large size of the Chacahoula salt dome suggests that there is significant design flexibility to deal with such local geologic issues.

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A multi-scale Q1/P0 approach to langrangian shock hydrodynamics

Scovazzi, Guglielmo S.; Love, Edward L.

A new multi-scale, stabilized method for Q1/P0 finite element computations of Lagrangian shock hydrodynamics is presented. Instabilities (of hourglass type) are controlled by a stabilizing operator derived using the variational multi-scale analysis paradigm. The resulting stabilizing term takes the form of a pressure correction. With respect to currently implemented hourglass control approaches, the novelty of the method resides in its residual-based character. The stabilizing residual has a definite physical meaning, since it embeds a discrete form of the Clausius-Duhem inequality. Effectively, the proposed stabilization samples and acts to counter the production of entropy due to numerical instabilities. The proposed technique is applicable to materials with no shear strength, for which there exists a caloric equation of state. The stabilization operator is incorporated into a mid-point, predictor/multi-corrector time integration algorithm, which conserves mass, momentum and total energy. Encouraging numerical results in the context of compressible gas dynamics confirm the potential of the method.

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The verdict geometric quality library

Pebay, Philippe P.; Knupp, Patrick K.; Thompson, David C.

Verdict is a collection of subroutines for evaluating the geometric qualities of triangles, quadrilaterals, tetrahedra, and hexahedra using a variety of metrics. A metric is a real number assigned to one of these shapes depending on its particular vertex coordinates. These metrics are used to evaluate the input to finite element, finite volume, boundary element, and other types of solvers that approximate the solution to partial differential equations defined over regions of space. The geometric qualities of these regions is usually strongly tied to the accuracy these solvers are able to obtain in their approximations. The subroutines are written in C++ and have a simple C interface. Each metric may be evaluated individually or in combination. When multiple metrics are evaluated at once, they share common calculations to lower the cost of the evaluation.

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Electronic structure of intrinsic defects in crystalline germanium telluride

Physical Review B - Condensed Matter and Materials Physics

Edwards, Arthur H.; Pineda, Andrew C.; Schultz, Peter A.; Martin, Marcus G.; Thompson, Aidan P.; Hjalmarson, Harold P.; Umrigar, Cyrus J.

Germanium telluride undergoes rapid transition between polycrystalline and amorphous states under either optical or electrical excitation. While the crystalline phases are predicted to be semiconductors, polycrystalline germanium telluride always exhibits p -type metallic conductivity. We present a study of the electronic structure and formation energies of the vacancy and antisite defects in both known crystalline phases. We show that these intrinsic defects determine the nature of free-carrier transport in crystalline germanium telluride. Germanium vacancies require roughly one-third the energy of the other three defects to form, making this by far the most favorable intrinsic defect. While the tellurium antisite and vacancy induce gap states, the germanium counterparts do not. A simple counting argument, reinforced by integration over the density of states, predicts that the germanium vacancy leads to empty states at the top of the valence band, thus giving a complete explanation of the observed p -type metallic conduction.

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Surface micromachined microfluidics - Example microsystems, challenges and opportunities

Proceedings of the ASME/Pacific Rim Technical Conference and Exhibition on Integration and Packaging of MEMS, NEMS, and Electronic Systems: Advances in Electronic Packaging 2005

Galambos, Paul; James, Conrad D.

A variety of fabrication techniques have been used to make microfluidic microsystems: bulk etching in silicon and glass, plastic molding and machining, and PDMS (silicone) casting. Surprisingly the most widely used method of integrated circuit (IC) fabrication (surface micromachining - SMM) has not been extensively utilized in microfluidics despite its wide use in MEMS. There are economic reasons that SMM is not often used in microfluidics; high infrastructure and start-up costs and relatively long fabrication times: and there are technical reasons; packaging difficulties, dominance of surface forces, and fluid volume scaling issues. However, there are also important technical and economic advantages for SMM microfluidics relating to large-scale batch, no-assembly fabrication, and intimate integration of mechanical, electrical, microfluidic, and nano-scale sub-systems on one chip. In our work at Sandia National Laboratories MDL (Microelectronics Development Lab) we have built on the existing MEMS SMM infrastructure to produce a variety of microfluidic microsystems. These example microsystems illustrate the challenges and opportunities associated with SMM microfluidics. In this paper we briefly discuss two SMM microfluidic microsystems (made in the SUMMiT™ and SwIFT™ processes - www.mdl.sandia.gov/micromachine ) in terms of technical challenges and unique SMM microfluidics opportunities. The two example microsystems are a DEP (dielectrophoretic) trap, and a drop ejector patterning system. Copyright © 2005 by ASME.

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Quadratic finite elements and incompressible viscous flows

Computer Methods in Applied Mechanics and Engineering

Gartling, David K.; Dohrmann, Clark R.

Pressure stabilization methods are applied to higher-order velocity finite elements for application to viscous incompressible flows. Both a standard pressure stabilizing Petrov-Galerkin (PSPG) method and a new polynomial pressure projection stabilization (PPPS) method have been implemented and tested for various quadratic elements in two dimensions. A preconditioner based on relaxing the incompressibility constraint is also tested for the iterative solution of saddle point problems arising from mixed Galerkin finite element approximations to the Navier-Stokes equations. The preconditioner is demonstrated for BB stable elements with discontinuous pressure approximations in two and three dimensions.

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DRSPALL :spallings model for the Waste Isolation Pilot Plant 2004 recertification

Lord, David L.

This report presents a model to estimate the spallings releases for the Waste Isolation Pilot Plant Performance Assessment (WIPP PA). A spallings release in the context of WIPP PA refers to a portion of the solid waste transported from the subsurface repository to the ground surface due to inadvertent oil or gas drilling into the WIPP repository at some time after site closure. Some solid waste will be removed by the action of the drillbit and drilling fluid; this waste is referred to as cuttings and cavings. If the repository is pressurized above hydrostatic at the time of intrusion, solid waste material local to the borehole may be subject to mechanical failure and entrainment in high-velocity gases as the repository pressure is released to the borehole. Solid material that fails and is transported into the wellbore and thus to the surface comprise the spallings releases. The spallings mechanism is analogous to a well blowout in the modern oil and gas drilling industry. The current spallings conceptual model and associated computer code, DRSPALL, were developed for the 2004 recertification because the prior spallings model used in the 1996 WIPP Compliance Certification Application (CCA) was judged by an independent peer review panel as inadequate (DOE 1996, 9.3.1). The current conceptual model for spallings addresses processes that take place several minutes before and after a borehole intrusion of a WIPP waste room. The model couples a pipe-flow wellbore model with a porous flow repository model, allowing high-pressure gas to flow from the repository to the wellbore through a growing cavity region at the well bottom. An elastic stress model is applied to the porous solid domain that allows for mechanical failure of repository solids if local tensile stress exceeds the tensile strength of the waste. Tensile-failed solids may be entrained into the wellbore flow stream by a fluidized bed model, in which case they are ultimately transported to the land surface comprising a release. In July 2003, DOE/SNL presented the spallings conceptual model to a independent peer review panel in accordance with NUREG 1297 guidelines (NRC, 1988). The panel ultimately judged the model as adequate for implementation in WIPP PA (Yew et al., 2003). This report documents the spallings model history from 1997 to the implementation of DRSPALL in the 2004 Compliance Recertification Application (CRA) (DOE, 2004). The scope of this report includes descriptions of the conceptual model, numerical model, verification and validation techniques, model sensitivity studies, and WIPP PA spallings results as presented in the 2004 CRA.

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Failure analysis of rutile sleeves in MC3080 lightning arrestor connectors

Watson, Chad S.; Kilgo, Alice C.; Ernest, Terry L.; Monroe, Saundra L.; Tuttle, Bruce T.; Olson, Walter R.

The purpose of this SAND Report is to document efforts in the extraction and failure analyses of sleeve-style Lightning Arrestor Connectors (LACs). Several MC3080 and MC3079 LACs were recovered from the field and tested as part of the Enhanced Surveillance Campaign. A portion of these LACs failed retesting. Terry Ernest (01733), the LAC Component Engineer, provided eleven MC3080 LACs for evaluation where four of the LACs failed IR/DCW and one failed FRB requirements. The extraction of rutile sleeves from failed LACs was required to determine the source of failure. Rutile sleeves associated with connector function failures were examined for cracks, debris as well as any other anomalies which could have caused the LAC to not function properly. Sleeves that failed FRB or that experienced high FRB exhibited high symmetry, smooth surface, long-flow amicon, and slightly over-sized inside diameter. LACs that failed DCW or IR requirements had rutile sleeves that exhibited breakdown tracks.

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Effect of anatomical fine structure on the flow of cerebrospinal fluid in the spinal subarachnoid space

Journal of Biomechanical Engineering

Stockman, Harlan W.

The lattice Boltzmann method is used to model oscillatory flow in the spinal subarachnoid space. The effect of obstacles such as trabeculae, nerve bundles, and ligaments on fluid velocity profiles appears to be small, when the flow is averaged over the length of a vertebra. Averaged fluid flow in complex models is little different from flow in corresponding elliptical annular cavities. However, the obstacles stir the flow locally and may be more significant in studies of tracer dispersion. Copyright © 2006 by ASME.

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Misorientation mapping for visualization of plastic deformation via electron back-scattered diffraction

Microscopy and Microanalysis

Brewer, L.N.; Othon, M.A.; Young, L.M.; Angeliu, T.M.

The ability to map plastic deformation around high strain gradient microstructural features is central in studying phenomena such as fatigue and stress corrosion cracking. A method for the visualization of plastic deformation in electron back-scattered diffraction (EBSD) data has been developed and is described in this article. This technique is based on mapping the intragrain misorientation in polycrystalline metals. The algorithm maps the scalar misorientation between a local minimum misorientation reference pixel and every other pixel within an individual grain. A map around the corner of a Vickers indentation in 304 stainless steel was used as a test case. Several algorithms for EBSD mapping were then applied to the deformation distributions around air fatigue and stress corrosion cracks in 304 stainless steel. Using this technique, clear visualization of a deformation zone around high strain gradient microstructural features (crack tips, indentations, etc.) is possible with standard EBSD data. © Microscopy Society of America 2006.

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Robust design and model validation of nonlinear compliant micromechanisms

Journal of Microelectromechanical Systems

Wittwer, Jonathan W.; Baker, Michael S.; Howell, Larry L.

Although the use of compliance or elastic flexibility in microelectromechanical systems (MEMS) helps eliminate friction, wear, and backlash, compliant MEMS are known to be sensitive to variations in material properties and feature geometry, resulting in large uncertainties in performance. This paper proposes an approach for design stage uncertainty analysis, model validation, and robust optimization of nonlinear MEMS to account for critical process uncertainties including residual stress, layer thicknesses, edge bias, and material stiffness. A fully compliant bistable micromechanism (FCBM) is used as an example, demonstrating that the approach can be used to handle complex devices involving nonlinear finite element models. The general shape of the force-displacement curve is validated by comparing the uncertainty predictions to measurements obtained from in situ force gauges. A robust design is presented, where simulations show that the estimated force variation at the point of interest may be reduced from ±47 μN to ±3 μN. The reduced sensitivity to process variations is experimentally validated by measuring the second stable position at multiple locations on a wafer. © 2006 IEEE.

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Prediction of β-strand packing interactions using the signature product

Journal of Molecular Modeling

Brown, W.M.; Martin, Shawn; Chabarek, Joseph P.; Strauss, Charlie; Faulon, Jean-Loup M.

The prediction of β-sheet topology requires the consideration of long-range interactions between β-strands that are not necessarily consecutive in sequence. Since these interactions are difficult to simulate using ab initio methods, we propose a supplementary method able to assign β-sheet topology using only sequence information. We envision using the results of our method to reduce the three-dimensional search space of ab initio methods. Our method is based on the signature molecular descriptor, which has been used previously to predict protein-protein interactions successfully, and to develop quantitative structure-activity relationships for small organic drugs and peptide inhibitors. Here, we show how the signature descriptor can be used in a Support Vector Machine to predict whether or not two β-strands will pack adjacently within a protein. We then show how these predictions can be used to order β-strands within β-sheets. Using the entire PDB database with ten-fold cross-validation, we have achieved 74.0% accuracy in packing prediction and 75.6% accuracy in the prediction of edge strands. For the case of β-strand ordering, we are able to predict the correct ordering accurately for 51.3% of the β-sheets. Furthermore, using a simple confidence metric, we can determine those sheets for which accurate predictions can be obtained. For the top 25% highest confidence predictions, we are able to achieve 95.7% accuracy in β-strand ordering. © Springer-Verlag 2005.

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LDRD final report on new homogeneous catalysts for direct olefin epoxidation (LDRD 52591)

Kemp, Richard K.; Stewart, Constantine A.; Miller, James E.

This report summarizes our findings during the study of a novel homogeneous epoxidation catalyst system that uses molecular oxygen as the oxidant, a ''Holy Grail'' in catalysis. While olefins (alkenes) that do not contain allylic hydrogens can be epoxidized directly using heterogeneous catalysts, most olefins cannot, and so a general, atom-efficient route is desired. While most of the work performed on this LDRD has been on pincer complexes of late transition metals, we also scouted out metal/ligand combinations that were significantly different, and unfortunately, less successful. Most of the work reported here deals with phosphorus-ligated Pd hydrides [(PCP)Pd-H]. We have demonstrated that molecular oxygen gas can insert into the Pd-H bond, giving a structurally characterized Pd-OOH species. This species reacts with oxygen acceptors such as olefins to donate an oxygen atom, although in various levels of selectivity, and to generate a [(PCP)Pd-OH] molecule. We discovered that the active [(PCP)Pd-H] active catalyst can be regenerated by addition of either CO or hydrogen. The demonstration of each step of the catalytic cycle is quite significant. Extensions to the pincer-Pd chemistry by attaching a fluorinated tail to the pincer designed to be used in solvents with higher oxygen solubilities are also presented.

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Compatibility of Fluorinert, FC-72, with selected materials

Aubert, James H.; Sawyer, P.S.

Removable encapsulants have been developed as replacement materials for electronic encapsulation. They can be removed from an electronic assembly in a fairly benign manner. Encapsulants must satisfy a limited number of criteria to be useful. These include processing ease, certain mechanical, thermal, and electrical properties, adhesion to common clean surfaces, good aging characteristics, and compatibility. This report discusses one aspect of the compatibility of removable blown epoxy foams with electronic components. Of interest is the compatibility of the blowing agent, Fluorinert{trademark} (FC-72) electronic fluid with electronic parts, components, and select materials. Excellent compatibility is found with most of the investigated materials. A few materials, such as Teflon{reg_sign} that are comprised of chemicals very similar to FC-72 show substantial absorption of FC-72. No compatibility issues have yet been identified even for the few materials that show substantial absorption.

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Progress toward a MEMS fabricated 100 GHz oscillator

Coleman, Phillip D.; Loubriel, Guillermo M.; Weyn, Mark L.

This report summarizes an LDRD effort which looked at the feasibility of building a MEMS (Micro-Electro-Mechanical Systems) fabricated 100 GHz micro vacuum tube. PIC Simulations proved to be a very useful tool in investigating various device designs. Scaling parameters were identified. This in turn allowed predictions of oscillator growth based on beam parameters, cavity geometry, and cavity loading. The electron beam source was identified as a critical element of the design. FEA's (Field Emission Arrays) were purchased to be built into the micro device. Laboratory testing of the FEA's was also performed which pointed out care and handling issues along with maximum current capabilities. Progress was made toward MEMS fabrication of the device. Techniques were developed and successfully employed to build up several of the subassemblies of the device. However, the lower wall fabrication proved to be difficult and a successful build was not completed. Alternative approaches to building this structure have been identified. Although these alternatives look like good solutions for building the device, it was not possible to complete a redesign and build during the timeframe of this effort.

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A framework and methodology for nuclear fuel cycle transparency

Love, Tracia L.; McClellan, Yvonne M.; Rochau, Gary E.

A key objective to the global deployment of nuclear technology is maintaining transparency among nation-states and international communities. By providing an environment in which to exchange scientific and technological information regarding nuclear technology, the safe and legitimate use of nuclear material and technology can be assured. Many nations are considering closed or multiple-application nuclear fuel cycles and are subsequently developing advanced reactors in an effort to obtain some degree of energy self-sufficiency. Proliferation resistance features that prevent theft or diversion of nuclear material and reduce the likelihood of diversion from the civilian nuclear power fuel cycle are critical for a global nuclear future. IAEA Safeguards have been effective in minimizing opportunities for diversion; however, recent changes in the global political climate suggest implementation of additional technology and methods to ensure the prompt detection of proliferation. For a variety of reasons, nuclear facilities are becoming increasingly automated and will require minimum manual operation. This trend provides an opportunity to utilize the abundance of process information for monitoring proliferation risk, especially in future facilities. A framework that monitors process information continuously can lead to greater transparency of nuclear fuel cycle activities and can demonstrate the ability to resist proliferation associated with these activities. Additionally, a framework designed to monitor processes will ensure the legitimate use of nuclear material. This report describes recent efforts to develop a methodology capable of assessing proliferation risk in support of overall plant transparency. The framework may be tested at the candidate site located in Japan: the Fuel Handling Training Model designed for the Monju Fast Reactor at the International Cooperation and Development Training Center of the Japan Atomic Energy Agency.

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Exchange-only optimized effective potential calculation of excited state spectra for He and Be atoms

Muller, Richard P.; Desjarlais, Michael P.

The optimized effective potential (OEP) method allows orbital-dependent functionals to be used in density functional theory (DFT), which, in particular, allows exact exchange formulations of the exchange energy to be used in DFT calculations. Because the exact exchange is inherently self-interaction correcting, the resulting OEP calculations have been found to yield superior band-gaps for condensed-phase systems. Here we apply these methods to the isolated atoms He and Be, and compare to high quality experiments and calculations to demonstrate that the orbital energies accurately reproduce the excited state spectrum for these species. These results suggest that coupling the exchange-only OEP calculations with proper (orbital-dependent or other) correlation functions might allow quantitative accuracy from DFT calculations.

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Quantum coherence in semiconductor nanostructures for improved lasers and detectors

Cederberg, Jeffrey G.; Chow, Weng W.; Modine, N.A.; Lyo, S.K.; Biefeld, Robert M.

The potential for implementing quantum coherence in semiconductor self-assembled quantum dots has been investigated theoretically and experimentally. Theoretical modeling suggests that coherent dynamics should be possible in self-assembled quantum dots. Our experimental efforts have optimized InGaAs and InAs self-assembled quantum dots on GaAs for demonstrating coherent phenomena. Optical investigations have indicated the appropriate geometries for observing quantum coherence and the type of experiments for observing quantum coherence have been outlined. The optical investigation targeted electromagnetically induced transparency (EIT) in order to demonstrate an all optical delay line.

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Statistical analysis of compositional factors affecting the compressive strength of alumina-loaded epoxy (ALOX)

Lee, Moo Y.; Montgomery, Stephen M.

Detailed statistical analysis of the experimental data from testing of alumina-loaded epoxy (ALOX) composites was conducted to better understand influences of the selected compositional properties on the compressive strength of these ALOX composites. Analysis of variance (ANOVA) for different models with different sets of parameters identified the optimal statistical model as, y{sub l} = -150.71 + 29.72T{sub l} + 204.71D{sub l} + 160.93S{sub 1l} + 90.41S{sub 2l}-20.366T{sub l}S{sub 2l}-137.85D{sub l}S{sub 1l}-90.08D{sub l}S{sub 2l} where y{sub l} is the predicted compressive strength, T{sub l} is the powder type, D{sub l} is the density as the covariate for powder volume concentration, and S{sub il}(i=1,2) is the strain rate. Based on the optimal statistical model, we conclude that the compressive strength of the ALOX composite is significantly influenced by the three main factors examined: powder type, density, and strain rate. We also found that the compressive strength of the ALOX composite is significantly influenced by interactions between the powder type and the strain rate and between the powder volume concentration and the strain rate. However, the interaction between the powder type and the powder volume concentration may not significantly influence the compressive strength of the ALOX composite.

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User manual for SPLASH (Single Panel Lamp and Shroud Helper)

Larsen, Marvin E.

The radiant heat test facility develops test sets providing well-characterized thermal environments, often representing fires. Many of the components and procedures have become standardized to such an extent that the development of a specialized design tool to determine optimal configurations for radiant heat experiments was appropriate. SPLASH (Single Panel Lamp and Shroud Helper) is that tool. SPLASH is implemented as a user-friendly, Windows-based program that allows a designer to describe a test setup in terms of parameters such as number of lamps, power, position, and separation distance. This document is a user manual for that software. Any incidental descriptions of theory are only for the purpose of defining the model inputs. The theory for the underlying model is described in SAND2005-2947 (Ref. [1]). SPLASH provides a graphical user interface to define lamp panel and shroud designs parametrically, solves the resulting radiation enclosure problem for up to 2500 surfaces, and provides post-processing to facilitate understanding and documentation of analyzed designs.

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Blast mitigation capabilities of aqueous foam

Larsen, Marvin E.; Boughton, Bruce A.

A series of tests involving detonation of high explosive blanketed by aqueous foam (conducted from 1982 to 1984) are described in primarily terms of recorded peak pressure, positive phase specific impulse, and time of arrival. The investigation showed that optimal blast mitigation occurs for foams with an expansion ratio of about 60:1. Simple analyses representing the foam as a shocked single phase mixture are presented and shown inadequate. The experimental data demonstrate that foam slows down and broadens the propagated pressure disturbance relative to a shock in air. Shaped charges and flyer plates were evaluated for operation in foam and appreciable degradation was observed for the flyer plates due to drag created by the foam.

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Issues in RF propagation modeling in an urban environment using the Extended Air Defense Simulation (EADSIM) mission level model

Bacon, Larry D.

As military operations in urban environments become more numerous, the ability of combat units to communicate, jam enemy communications, or employ RF weapons within this environment must be evaluated. To perform this evaluation in a mission level model requires a capability to evaluate the contributions of both terrain and man-made structures (interior and exterior) to RF propagation. The present study is an analysis of the adequacy of a mission level model (EADSIM) to perform these RF propagation calculations in an urban environment. Three basic environments must be assessed. The first environment consists entirely of terrain, with no man-made features impacting propagation values. The second environment includes terrain, but also includes the contribution of solid structures with abrupt edges, which may obstruct/influence LOS paths. The third environment includes not only terrain and structures, but also contains structures with interior features which must be evaluated to determine the propagation levels within and around these structures. EADSIM was used as the model for evaluation in view of its suite of propagation tools which can be used for analysis of RF propagation between transmitters and receivers including terrain. To assess EADSIM's capability to perform in these environments, flat terrain maps with an obstruction were created to permit comparison of EADSIM's propagation models with analytical calculations and with measurements. Calculations from the Terrain Integrated Rough Earth Model (TIREM) and the Spherical Earth Knife Edge (SEKE) propagation models included within EADSIM showed that the ability of the models to calculate knife-edge diffraction agreed favorably with analytical values. The representation of multipath effects was less encouraging. SEKE only models multipath when Fresnel clearance exists. TIREM models multipath, but the cyclical characteristics of multipath are not represented, and only subtractive path loss is considered. Multipath is only evaluated along a 2-D path in the vertical orientation. This precludes modeling propagation in the urban canyons of metropolitan areas, where horizontal paths are dominant. It also precludes modeling exterior to interior propagation. In view of the apparent inadequacy of urban propagation within mission level models, as evidenced by EADSIM, the study also attempts to address possible solutions to the problem. Correction of the sparsing techniques in both TIREM and SEKE models is recommended. Both SEKE and TIREM are optimized for DTED level 1 data, sparsed at 3 arc seconds resolution. This led to significant errors when map data was sparsed at higher or lower resolution. TIREM's errors would be significantly reduced if the 999 point array limit was eliminated. This would permit using interval sizes equal to the map resolution for larger areas. This same problem could be fixed in SEKE by changing the interval spacing from a fixed 3 arc second resolution ({approx}93 meters) to an interval which is set at the map resolution. Additionally, the cell elevation interpolation method which TIREM uses is inappropriate for the man-made structures encountered in urban environments. Turning this method of determining height off, or providing a selectable switch is desired. In the near term, it appears that further research into ray-tracing models is appropriate. Codes such as RF-ProTEC, which can be dynamically linked to mission level models such as EADSIM, can provide the higher fidelity propagation calculations required, and still permit the dynamic interactions required of the mission level model. Additional research should also be conducted on the best methods of representing man-made structures to determine whether codes other than ray-trace can be used.

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Environment, safety, and health information technology systems integration

Bayer, Gregory B.; Hendrickson, David A.

The ES&H Information Systems department, motivated by the numerous isolated information technology systems under its control, undertook a significant integration effort. This effort was planned and executed over the course of several years and parts of it still continue today. The effect was to help move the ES&H Information Systems department toward integration with the corporate Information Solutions and Services center.

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Performance limits for Synthetic Aperture Radar

Doerry, Armin

The performance of a Synthetic Aperture Radar (SAR) system depends on a variety of factors, many which are interdependent in some manner. It is often difficult to ''get your arms around'' the problem of ascertaining achievable performance limits, and yet those limits exist and are dictated by physics, no matter how bright the engineer tasked to generate a system design. This report identifies and explores those limits, and how they depend on hardware system parameters and environmental conditions. Ultimately, this leads to a characterization of parameters that offer optimum performance for the overall SAR system. For example, there are definite optimum frequency bands that depend on weather conditions and range, and minimum radar PRF for a fixed real antenna aperture dimension is independent of frequency. While the information herein is not new to the literature, its collection into a single report hopes to offer some value in reducing the ''seek time''.

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A survey of Asian life scientists :the state of biosciences, laboratory biosecurity, and biosafety in Asia

Gaudioso, Jennifer M.

Over 300 Asian life scientists were surveyed to provide insight into work with infectious agents. This report provides the reader with a more complete understanding of the current practices employed to study infectious agents by laboratories located in Asian countries--segmented by level of biotechnology sophistication. The respondents have a variety of research objectives and study over 60 different pathogens and toxins. Many of the respondents indicated that their work was hampered by lack of adequate resources and the difficulty of accessing critical resources. The survey results also demonstrate that there appears to be better awareness of laboratory biosafety issues compared to laboratory biosecurity. Perhaps not surprisingly, many of these researchers work with pathogens and toxins under less stringent laboratory biosafety and biosecurity conditions than would be typical for laboratories in the West.

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Development and evaluation of innovative arsenic adsorption technologies for drinking water by the arsenic water technology partnership

Siegel, Malcolm D.; McConnell, Paul E.

Recent reduction of drinking water Maximum Concentration Level (MCL) for arsenic from 50 ppb to 10 ppb was intended to reduce incidence of bladder cancer and other cancers in US. Southwestern United States is characterized by high and variable background levels for arsenic. Estimated national annual costs of implementing 10 ppb MCL range from $165M to $605M to save 7 - 33 lives. - $5M - $23.9M /life saved - $1.3M - $6.6M/ year of life saved. About 1 life/500,000 exposed persons per year. New MCL is controversial due to high costs and uncertain health benefits.

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Experimental measurement of the principal isentrope for aluminum 6061-T6 to 240 GPa

Proposed for publication in the Journal of Applied Physics.

Davis, Jean-Paul D.

Using a magnetic pressure drive, an absolute measurement of stress and density along the principal compression isentrope is obtained for solid aluminum to 240 GPa. Reduction of the free-surface velocity data relies on a backward integration technique, with approximate accounting for unknown systematic errors in experimental timing. Maximum experimental uncertainties are +/-4.7% in stress and +/-1.4% in density, small enough to distinguish between different equation-of-state (EOS) models. The result agrees well with a tabular EOS that uses an empirical universal zero-temperature isotherm.

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Solution synthesis of germanium nanowires using a Ge+2 alkoxide precursor

Proposed for publication in JACS.

A simple solution synthesis of germanium (Ge{sup 0}) nanowires under mild conditions (<400 C and 1 atm) was demonstrated using germanium 2,6 dibutylphenoxide Ge(DBP){sub 2} (1) as the precursor where DBP = OC{sub 6}H{sub 3}(C(CH{sub 3}){sub 3}){sub 2}-2,6. Compound 1, synthesized from Ge(NR{sub 2}){sub 2} where R = SiMe{sub 3} and two equivalents of DBP-H, was characterized as a mononuclear species by single crystal X-ray diffraction. Dissolution of 1 in oleylamine, followed by rapid injection into a 1-octadecene solution heated to 300 C under an atmosphere of Ar, led to the formation of Ge{sup 0} nanowires. The Ge{sup 0} nanowires were characterized by transmission electron microscopy (TEM), X-ray diffraction analysis, and Fourier transform infrared spectroscopy. These characterizations revealed that the nanowires are single crystalline in the cubic phase and coated with oleylamine surfactant. We also observed that the nanowire length (0.1 to 10 {micro}m) increases with increasing temperature (285 to 315 C) and time (5 to 60 min). Two growth mechanisms are proposed based on the TEM images intermittently taken during the growth process as a function of time: (1) self-seeding mechanism where one of two overlapping nanowires serves as a seed, while the other continues to grow as a wire and (2) self-assembly mechanism where an aggregate of small rods (< 50 nm in diameter) recrystallize on the tip of a longer wire, extending its length.

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Technical assessment of Navitar Zoom 6000 optic and Sony HDC-X310 camera for MEMS presentations and training

Diegert, Carl F.

This report evaluates a newly-available, high-definition, video camera coupled with a zoom optical system for microscopic imaging of micro-electro-mechanical systems. We did this work to support configuration of three document-camera-like stations as part of an installation in a new Microsystems building at Sandia National Laboratories. The video display walls to be installed as part of these three presentation and training stations are of extraordinary resolution and quality. The new availability of a reasonably-priced, cinema-quality, high-definition video camera offers the prospect of filling these displays with full-motion imaging of Sandia's microscopic products at a quality substantially beyond the quality of typical video microscopes. Simple and robust operation of the microscope stations will allow the extraordinary-quality imaging to contribute to Sandia's day-to-day research and training operations. This report illustrates the disappointing image quality from a camera/lens system comprised of a Sony HDC-X310 high-definition video camera coupled to a Navitar Zoom 6000 lens. We determined that this Sony camera is capable of substantially more image quality than the Navitar optic can deliver. We identified an optical doubler lens from Navitar as the component of their optical system that accounts for a substantial part of the image quality problem. While work continues to incrementally improve performance of the Navitar system, we are also evaluating optical systems from other vendors to couple to this Sony camera.

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On a viscoplastic model for rocks with mechanism-dependent characteristic times

Proposed for publication in Acta Geotechnica.

Fossum, Arlo F.; Brannon, Rebecca M.

This paper summarizes the results of a theoretical and experimental program at Sandia National Laboratories aimed at identifying and modeling key physical features of rocks and rock-like materials at the laboratory scale over a broad range of strain rates. The mathematical development of a constitutive model is discussed and model predictions versus experimental data are given for a suite of laboratory tests. Concurrent pore collapse and cracking at the microscale are seen as competitive micromechanisms that give rise to the well-known macroscale phenomenon of a transition from volumetric compaction to dilatation under quasistatic triaxial compression. For high-rate loading, this competition between pore collapse and microcracking also seems to account for recently identified differences in strain-rate sensitivity between uniaxial-strain 'plate slap' data compared to uniaxial-stress Kolsky bar data. A description is given of how this work supports ongoing efforts to develop a predictive capability in simulating deformation and failure of natural geological materials, including those that contain structural features such as joints and other spatial heterogeneities.

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Genomes to Life Project Quarterly Report April 2005

Heffelfinger, Grant S.; Martino, Anthony M.; Rintoul, Mark D.

This SAND report provides the technical progress through April 2005 of the Sandia-led project, "Carbon Sequestration in Synechococcus Sp.: From Molecular Machines to Hierarchical Modeling," funded by the DOE Office of Science Genomics:GTL Program. Understanding, predicting, and perhaps manipulating carbon fixation in the oceans has long been a major focus of biological oceanography and has more recently been of interest to a broader audience of scientists and policy makers. It is clear that the oceanic sinks and sources of CO2 are important terms in the global environmental response to anthropogenic atmospheric inputs of CO2 and that oceanic microorganisms play a key role in this response. However, the relationship between this global phenomenon and the biochemical mechanisms of carbon fixation in these microorganisms is poorly understood. In this project, we will investigate the carbon sequestration behavior of Synechococcus Sp., an abundant marine cyanobacteria known to be important to environmental responses to carbon dioxide levels, through experimental and computational methods. This project is a combined experimental and computational effort with emphasis on developing and applying new computational tools and methods. Our experimental effort will provide the biology and data to drive the computational efforts and include significant investment in developing new experimental methods for uncovering protein partners, characterizing protein complexes, identifying new binding domains. We will also develop and apply new data measurement and statistical methods for analyzing microarray experiments. Computational tools will be essential to our efforts to discover and characterize the function of the molecular machines of Synechococcus. To this end, molecular simulation methods will be coupled with knowledge discovery from diverse biological data sets for high-throughput discovery and characterization of protein-protein complexes. In addition, we will develop a set of novel capabilities for inference of regulatory pathways in microbial genomes across multiple sources of information through the integration of computational and experimental technologies. These capabilities will be applied to Synechococcus regulatory pathways to characterize their interaction map and identify component proteins in these - 4 -pathways. We will also investigate methods for combining experimental and computational results with visualization and natural language tools to accelerate discovery of regulatory pathways. The ultimate goal of this effort is develop and apply new experimental and computational methods needed to generate a new level of understanding of how the Synechococcus genome affects carbon fixation at the global scale. Anticipated experimental and computational methods will provide ever-increasing insight about the individual elements and steps in the carbon fixation process, however relating an organism's genome to its cellular response in the presence of varying environments will require systems biology approaches. Thus a primary goal for this effort is to integrate the genomic data generated from experiments and lower level simulations with data from the existing body of literature into a whole cell model. We plan to accomplish this by developing and applying a set of tools for capturing the carbon fixation behavior of complex of Synechococcus at different levels of resolution. Finally, the explosion of data being produced by high-throughput experiments requires data analysis and models which are more computationally complex, more heterogeneous, and require coupling to ever increasing amounts of experimentally obtained data in varying formats. These challenges are unprecedented in high performance scientific computing and necessitate the development of a companion computational infrastructure to support this effort. More information about this project can be found at www.genomes-to-life.org Acknowledgment We want to gratefully acknowledge the contributions of: Grant Heffelfinger1*, Anthony Martino2, Brian Palenik6, Andrey Gorin3, Ying Xu10,3, Mark Daniel Rintoul1, Al Geist3, Matthew Ennis1, with Pratul Agrawal3, Hashim Al-Hashimi8, Andrea Belgrano12, Mike Brown1, Xin Chen9, Paul Crozier1, PguongAn Dam10, Jean-Loup Faulon2, Damian Gessler12, David Haaland1, Victor Havin4, C.F. Huang5, Tao Jiang9, Howland Jones1, David Jung3, Katherine Kang14, Michael Langston15, Shawn Martin1, Shawn Means1, Vijaya Natarajan4, Roy Nielson5, Frank Olken4, Victor Olman10, Ian Paulsen14, Steve Plimpton1, Andreas Reichsteiner5, Nagiza Samatova3, Arie Shoshani4, Michael Sinclair1, Alex Slepoy1, Shawn Stevens8, Charlie Strauss5, Zhengchang Su10, Ed Thomas1, Jerilyn Timlin1, WimVermaas13, Xiufeng Wan11, HongWei Wu10, Dong Xu11, Grover Yip8, Erik Zuiderweg8 *Author to whom correspondence should be addressed (gsheffe@sandia.gov) 1. Sandia National Laboratories, Albuquerque, NM 2. Sandia National Laboratories, Livermore, CA 3. Oak Ridge National Laboratory, Oak Ridge, TN 4. Lawrence Berkeley National Laboratory, Berkeley, CA 5. Los Alamos National Laboratory, Los Alamos, NM 6. University of California, San Diego 7. University of Illinois, Urbana/Champaign 8. University of Michigan, Ann Arbor 9. University of California, Riverside 10. University of Georgia, Athens 11. University of Missouri, Columbia 12. National Center for Genome Resources, Santa Fe, NM 13. Arizona State University 14. The Institute for Genomic Research 15. University of Tennessee 5 Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL8500.

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Optical testing of layered microstructures with and without underlying vias

Serrano, Justin R.; Phinney, Leslie M.

The response of microsystem components to laser irradiation is relevant to the use of laser processing, optical diagnostics, and optical microelectromechanical systems (MEMS) device design and performance. The dimensions of MEMS are on the same order as infrared laser wavelengths which results in interference phenomena when the parts are partially transparent. Four distinct polycrystalline structures were designed and irradiated with 808 nm laser light to determine the effect of layers and the presence of a substrate via on the laser power threshold for damage. The presence of a substrate via resulted in lower damage thresholds, and interference phenomena resulted in a single layer structure having the highest damage threshold.

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Resistance scaling for composite fermions in the presence of a density gradient

Proposed for publication in Physical Review B, Rapid Communications.

Pan, Wei P.

The magnetoresistance, R{sub xx}, at even-denominator fractional fillings, of an ultra high quality two-dimensional electron system at T {approx} 35 mK is observed to be strictly linear in magnetic field, B. While at 35 mK R{sub xx} is dominated by the integer and fractional quantum Hall states, at T {approx_equal} 1.2 K an almost perfect linear relationship between R{sub xx} and B emerges over the whole magnetic field range except for spikes at the integer quantum Hall states. This linear R{sub xx} cannot be understood within the Composite Fermion model, but can be explained through the existence of a density gradient in our sample.

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Molecular studies of the structural properties of hydrogen gas in bulk water

Proposed for publication in the Molecular Simulation Journal.

Rempe, Susan R.; Sabo, Dubravko S.; Greathouse, Jeffery A.; Martin, Marcus G.

We report on our studies of the structural properties of a hydrogen molecule dissolved in liquid water. The radial distribution function, coordination number and coordination number distribution are calculated using different representations of the interatomic forces within molecular dynamics (MD), Monte Carlo (MC) and ab initio molecular dynamics (AIMD) simulation frameworks. Although structural details differ in the radial distribution functions generated from the different force fields, all approaches agree that the average and most probable number of water molecules occupying the inner hydration sphere around hydrogen is 16. Furthermore, all results exclude the possibility of clathrate-like organization of water molecules around the hydrophobic molecular hydrogen solute.

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Emergency response guidance for the first 48 hours after the outdoors detonation of an explosive radiological dispersal device

Proposed for publication in Health Physics Journal.

Harper, Frederick T.

Strategies and decisions to protect emergency responders, the public, and critical infrastructure against the effects of a radiological dispersal device detonated outdoors must be made in the planning stage, not in the early period just after an attack. This contrasts with planning for small-scale types of radiological or nuclear emergencies, or for a large-scale nuclear-power-type accident that evolves over many hours or days before radioactivity is released to the environment, such that its effects can be prospectively modeled and analyzed. By the time it is known an attack has occurred, most likely there will have been casualties, all the radioactive material will have been released, plume growth will be progressing, and there will be no time left for evaluating possible countermeasures. This paper offers guidance to planners, first responders, and senior decision makers to assist them in developing strategies for protective actions and operational procedures for the first 48 hours after an explosive radiological dispersal device has been detonated.

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An improved bi-level algorithm for partitioning dynamic structured grid hierarchies

Ray, Jaideep R.; Steensland, Johan S.

Structured adaptive mesh refinement methods are being widely used for computer simulations of various physical phenomena. Parallel implementations potentially offer realistic simulations of complex three-dimensional applications. But achieving good scalability for large-scale applications is non-trivial. Performance is limited by the partitioner's ability to efficiently use the underlying parallel computer's resources. Designed on sound SAMR principles, Nature+Fable is a hybrid, dedicated SAMR partitioning tool that brings together the advantages of both domain-based and patch-based techniques while avoiding their drawbacks. But the original bi-level partitioning approach in Nature+Fable is insufficient as it for realistic applications regards frequently occurring bi-levels as 'impossible' and fails. This document describes an improved bi-level partitioning algorithm that successfully copes with all possible hi-levels. The improved algorithm uses the original approach side-by-side with a new, complementing approach. By using a new, customized classification method, the improved algorithm switches automatically between the two approaches. This document describes the algorithms, discusses implementation issues, and presents experimental results. The improved version of Nature+Fable was found to be able to handle realistic applications and also to generate less imbalances, similar box count, but more communication as compared to the native, domain-based partitioner in the SAMR framework AMROC.

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A thermodynamic model for growth mechanisms of multiwall carbon nanotubes

Proposed for publication in Applied Physics Letters.

Siegal, Michael P.; Overmyer, Donald L.

Multiwall carbon nanotubes are grown via thermal chemical vapor deposition between temperatures of 630 and 830 C using acetylene in nitrogen as the carbon source. This process is modeled using classical thermodynamics to explain the total carbon deposition as a function of time and temperature. An activation energy of 1.60 eV is inferred for nanotube growth after considering the carbon solubility term. Scanning electron microscopy shows growth with diameters increasing linearly with time. Transmission electron microscopy and Raman spectroscopy show multiwall nanotubes surrounded by a glassy-carbon sheath, which grows with increasing wall thickness as growth temperatures and times rise.

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Hybrid two-chain simulation and integral equation theory : application to polyethylene liquids

Curro, John G.

We present results from a hybrid simulation and integral equation approach to the calculation of polymer melt properties. The simulation consists of explicit Monte Carlo (MC) sampling of two polymer molecules, where the effect of the surrounding chains is accounted for by an HNC solvation potential. The solvation potential is determined from the Polymer Reference Interaction Site Model (PRISM) as a functional of the pair correlation function from simulation. This hybrid two-chain MC-PRISM approach was carried out on liquids of polyethylene chains of 24 and 66 CH{sub 2} units. The results are compared with MD simulation and self-consistent PRISM-PY theory under the same conditions, revealing that the two-chain calculation is close to MD, and able to overcome the defects of the PRISM-PY closure and predict more accurate structures of the liquid at both short and long range. The direct correlation function, for instance, has a tail at longer range which is consistent with MD simulation and avoids the short-range assumptions in PRISM-PY theory. As a result, the self-consistent two-chain MC-PRISM calculation predicts an isothermal compressibility closer to the MD results.

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Data fusion on a distributed heterogeneous sensor network

Williams, Pamela J.

Alarm-based sensor systems are being explored as a tool to expand perimeter security for facilities and force protection. However, the collection of increased sensor data has resulted in an insufficient solution that includes faulty data points. Data analysis is needed to reduce nuisance and false alarms, which will improve officials decision making and confidence levels in the system's alarms. Moreover, operational costs can be allayed and losses mitigated if authorities are alerted only when a real threat is detected. In the current system, heuristics such as persistence of alarm and type of sensor that detected an event are used to guide officials responses. We hypothesize that fusing data from heterogeneous sensors in the sensor field can provide more complete situational awareness than looking at individual sensor data. We propose a two stage approach to reduce false alarms. First, we use self organizing maps to cluster sensors based on global positioning coordinates and then train classifiers on the within cluster data to obtain a local view of the event. Next, we train a classifier on the local results to compute a global solution. We investigate the use of machine learning techniques, such as k-nearest neighbor, neural networks, and support vector machines to improve alarm accuracy. On simulated sensor data, the proposed approach identifies false alarms with greater accuracy than a weighted voting algorithm.

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Observation of nonlinear optical phenomena in fused silica and air using a 100 GW, 1.54 um source

Proposed for publication in Optics Express.

Naudeau, Madeleine L.; Law, Ryan L.; Luk, Ting S.

A 100-GW optical parametric chirped-pulse amplifier system is used to study nonlinear effects in the 1.54 {micro}m regime. When focusing this beam in air, strong third-harmonic generation (THG) is observed, and both the spectra and efficiency are measured. Broadening is observed on only the blue side of the third-harmonic signal and an energy conversion efficiency of 0.2% is achieved. When propagated through a 10-cm block of fused silica, a collimated beam is seen to collapse and form multiple filaments. The measured spectral features span 400-2100 nm. The spectrum is dominated by previously unobserved Stokes emissions and broad emissions in the visible.

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Open source high performance floating-point modules

Underwood, Keith

Given the logic density of modern FPGAs, it is feasible to use FPGAs for floating-point applications. However, it is important that any floating-point units that are used be highly optimized. This paper introduces an open source library of highly optimized floating-point units for Xilinx FPGAs. The units are fully IEEE compliant and achieve approximately 230 MHz operation frequency for double-precision add and multiply in a Xilinx Virtex-2-Pro FPGA (-7 speed grade). This speed is achieved with a 10 stage adder pipeline and a 12 stage multiplier pipeline. The area requirement is 571 slices for the adder and 905 slices for the multiplier.

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Sandia National Laboratories California Environmental Monitoring Program Annual Report for Calendar Year 2005

Holland, Robert C.

The annual program report provides detailed information about all aspects of the SNL/CA Environmental Monitoring Program for a given calendar year. It functions as supporting documentation to the SNL/CA Environmental Management System Program Manual. The 2005 Update program report describes the activities undertaken during the past year, and activities planned in future years to implement the Environmental Monitoring Program, one of six programs that supports environmental management at SNL/CA.

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Silicone oil contamination and electrical contact resistance degradation of low-force gold contacts

Proposed for publication in the IEEE Journal of Microelectromechanical Systems.

Dickrell, Daniel J.; Dugger, Michael T.

Hot-switched low-force gold electrical contact testing was performed using a nanomechanical test apparatus to ascertain the sensitivity of simulated microelectromechanical systems (MEMS) contact to silicone oil contamination. The observed cyclic contact resistance degradation was dependent on both closure rate and noncontact applied voltage. The decomposition of silicone oil from electrical arcing was hypothesized as the degradation mechanism.

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High voltage with Si series photovoltaics

Patel, Rupal K.; Hsia, Alexander W.; Bennett, Reid S.

A monolithic crystalline Si photovoltaic device, developing a potential of 2,120 Volts, has been demonstrated. The monolithic device consists of 3600 small photovoltaic cells connected in series and fabricated using standard CMOS processing on SOI wafers. The SOI wafers with trenches etched to the buried oxide (BOX) depth are used for cell isolation. The photovoltaic cell is a Si pn junction device with the n surface region forming the front surface diffused region upon which light impinges. Contact is formed to the deeper diffused region at the cell edge. The p+ deep-diffused region forms the contact to the p-type base region. Base regions were 5 or 10 {micro}m thick. Series connection of individual cells is accomplished using standard CMOS interconnects. This allows for the voltage to range from approximately 0.5 Volts for a single cell to above a thousand volts for strings of thousands of cells. The current is determined by cell area. The voltage is limited by dielectric breakdown. Each cell is isolated from the adjacent cells through dielectric-filled trench isolation, the substrate through the SOI buried oxide, and the metal wiring by the deposited pre-metal dielectric. If any of these dielectrics fail (whether due to high electric fields or inherent defects), the photovoltaic device will not produce the desired potential. We have used ultra-thick buried oxide SOI and several novel processes, including an oxynitride trench fill process, to avoid dielectric breakdown.

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Short-range helical ordering of isotactic vinyl polymers in the liquid state

Curro, John G.

Wide-angle x-ray scattering measurements on various vinyl polymer melts show that the main amorphous peak (at k {approx} 1.5 A{sup -1}) in the structure factor initially broadens, and then forms a 'pre-peak' that shifts to lower k as the size of the pendant group increases. To investigate this behavior we performed self-consistent PRISM calculations on isotactic polypropylene and polystyrene liquids. Good qualitative agreement was seen for the theoretical structure factors with scattering data. Analysis of the torsional angle distribution shows a significant amount of short-range helical content in the iPP and iPS melts. At 450 K the average number of consecutive trans/gauche pairs along the chain backbone was significantly higher than for a random distribution of torsional angles. The theory indicates that the location of the pre-peak is a measure of the helix-helix correlation distance or helix 'thickness'.

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MD simulations of chemically reacting networks : analysis of permanent set

Curro, John G.; Budzien, Joanne L.; Grest, Gary S.; Thompson, Aidan P.

The Independent Network Model (INM) has proven to be a useful tool for understanding the development of permanent set in strained elastomers. Our previous work showed the applicability of the INM to our simulations of polymer systems crosslinking in strained states. This study looks at the INM applied to theoretical models incorporating entanglement effects, including Flory's constrained junction model and more recent tube models. The effect of entanglements has been treated as a separate network formed at gelation, with additional curing treated as traditional phantom contributions. Theoretical predictions are compared with large-scale molecular dynamics simulations.

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An Arrhenius-type viscosity function to model sintering using the Skorohod Olevsky viscous sintering model within a finite element code

Proposed for publication in the Journal American Ceramic Society.

Reiterer, Markus W.; Arguello, Jose G.; Ewsuk, Kevin G.

The ease and ability to predict sintering shrinkage and densification with the Skorohod-Olevsky viscous sintering (SOVS) model within a finite-element (FE) code have been improved with the use of an Arrhenius-type viscosity function. The need for a better viscosity function was identified by evaluating SOVS model predictions made using a previously published polynomial viscosity function. Predictions made using the original, polynomial viscosity function do not accurately reflect experimentally observed sintering behavior. To more easily and better predict sintering behavior using FE simulations, a thermally activated viscosity function based on creep theory was used with the SOVS model. In comparison with the polynomial viscosity function, SOVS model predictions made using the Arrhenius-type viscosity function are more representative of experimentally observed viscosity and sintering behavior. Additionally, the effects of changes in heating rate on densification can easily be predicted with the Arrhenius-type viscosity function. Another attribute of the Arrhenius-type viscosity function is that it provides the potential to link different sintering models. For example, the apparent activation energy, Q, for densification used in the construction of the master sintering curve for a low-temperature cofire ceramic dielectric has been used as the apparent activation energy for material flow in the Arrhenius-type viscosity function to predict heating rate-dependent sintering behavior using the SOVS model.

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Performance assessment methodology and preliminary results for low-level radioactive waste disposal in Taiwan

Arnold, Bill W.; Ho, Clifford K.; Mattie, Patrick D.; Jow, H.N.

Sandia National Laboratories (SNL) and Taiwan's Institute for Nuclear Energy Research (INER) have teamed together to evaluate several candidate sites for Low-Level Radioactive Waste (LLW) disposal in Taiwan. Taiwan currently has three nuclear power plants, with another under construction. Taiwan also has a research reactor, as well as medical and industrial wastes to contend with. Eventually the reactors will be decomissioned. Operational and decommissioning wastes will need to be disposed in a licensed disposal facility starting in 2014. Taiwan has adopted regulations similar to the US Nuclear Regulatory Commission's (NRC's) low-level radioactive waste rules (10 CFR 61) to govern the disposal of LLW. Taiwan has proposed several potential sites for the final disposal of LLW that is now in temporary storage on Lanyu Island and on-site at operating nuclear power plants, and for waste generated in the future through 2045. The planned final disposal facility will have a capacity of approximately 966,000 55-gallon drums. Taiwan is in the process of evaluating the best candidate site to pursue for licensing. Among these proposed sites there are basically two disposal concepts: shallow land burial and cavern disposal. A representative potential site for shallow land burial is located on a small island in the Taiwan Strait with basalt bedrock and interbedded sedimentary rocks. An engineered cover system would be constructed to limit infiltration for shallow land burial. A representative potential site for cavern disposal is located along the southeastern coast of Taiwan in a tunnel system that would be about 500 to 800 m below the surface. Bedrock at this site consists of argillite and meta-sedimentary rocks. Performance assessment analyses will be performed to evaluate future performance of the facility and the potential dose/risk to exposed populations. Preliminary performance assessment analyses will be used in the site-selection process and to aid in design of the disposal system. Final performance assessment analyses will be used in the regulatory process of licensing a site. The SNL/INER team has developed a performance assessment methodology that is used to simulate processes associated with the potential release of radionuclides to evaluate these sites. The following software codes are utilized in the performance assessment methodology: GoldSim (to implement a probabilistic analysis that will explicitly address uncertainties); the NRC's Breach, Leach, and Transport - Multiple Species (BLT-MS) code (to simulate waste-container degradation, waste-form leaching, and transport through the host rock); the Finite Element Heat and Mass Transfer code (FEHM) (to simulate groundwater flow and estimate flow velocities); the Hydrologic Evaluation of Landfill performance Model (HELP) code (to evaluate infiltration through the disposal cover); the AMBER code (to evaluate human health exposures); and the NRC's Disposal Unit Source Term -- Multiple Species (DUST-MS) code (to screen applicable radionuclides). Preliminary results of the evaluations of the two disposal concept sites are presented.

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Development of LTCC smart channels for integrated chemical, temperature, and flow sensing

Ho, Clifford K.

This paper describes the development of 'smart' channels that can be used simultaneously as a fluid channel and as an integrated chemical, temperature, and flow sensor. The uniqueness of this device lies in the fabrication and processing of low-temperature co-fired ceramic (LTCC) materials that act as the common substrate for both the sensors and the channel itself. Devices developed in this study have employed rolled LTCC tubes, but grooves or other channel shapes can be fabricated depending on the application requirements. The chemical transducer is fabricated by depositing a conductive polymer 'ink' across a pair of electrodes that acts as a chemical resistor (chemiresistor) within the rolled LTCC tube. Volatile organic compounds passing through the tube are absorbed into the polymers, causing the polymers to reversibly swell and change in electrical resistance. The change in resistance is calibrated to the chemical concentration. Multiple chemiresistors have been integrated into a single smart channel to provide chemical discrimination through the use of different polymers. A heating element is embedded in the rolled tube to maintain a constant temperature in the vicinity of the chemical sensors. Thick-film thermistor lines are printed to monitor the temperature near the chemical sensor and at upstream locations to monitor the incoming ambient flow. The thermistors and heating element are used together as a thermal anemometer to measure the flow rate through the tube. Configurations using both surface-printed and suspended thermistors have been evaluated.

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Measurement of the energy and power radiated by a pulsed blackbody x-ray source

Proposed for publication in Physical Review E.

Stygar, William A.; Leeper, Ramon J.; Mazarakis, Michael G.; McDaniel, Dillon H.; Mckenney, John M.; Mills, Jerry A.; Ruggles, Larry R.; Seamen, Johann F.; Simpson, Walter W.; Dropinski, Steven D.; Warne, Larry K.; York, Matthew W.; McGurn, John S.; Bryce, Edwin A.; Chandler, Gordon A.; Cuneo, M.E.; Johnson, William Arthur.; Jorgenson, Roy E.

We have developed a diagnostic system that measures the spectrally integrated (i.e. the total) energy and power radiated by a pulsed blackbody x-ray source. The total-energy-and-power (TEP) diagnostic system is optimized for blackbody temperatures between 50 and 350 eV. The system can view apertured sources that radiate energies and powers as high as 2 MJ and 200 TW, respectively, and has been successfully tested at 0.84 MJ and 73 TW on the Z pulsed-power accelerator. The TEP system consists of two pinhole arrays, two silicon-diode detectors, and two thin-film nickel bolometers. Each of the two pinhole arrays is paired with a single silicon diode. Each array consists of a 38 x 38 square array of 10-{micro}m-diameter pinholes in a 50-{micro}m-thick tantalum plate. The arrays achromatically attenuate the x-ray flux by a factor of {approx}1800. The use of such arrays for the attenuation of soft x rays was first proposed by Turner and co-workers [Rev. Sci. Instrum. 70, 656 (1999)RSINAK0034-674810.1063/1.1149385]. The attenuated flux from each array illuminates its associated diode; the diode's output current is recorded by a data-acquisition system with 0.6-ns time resolution. The arrays and diodes are located 19 and 24 m from the source, respectively. Because the diodes are designed to have an approximately flat spectral sensitivity, the output current from each diode is proportional to the x-ray power. The nickel bolometers are fielded at a slightly different angle from the array-diode combinations, and view (without pinhole attenuation) the same x-ray source. The bolometers measure the total x-ray energy radiated by the source and--on every shot--provide an in situ calibration of the array-diode combinations. Two array-diode pairs and two bolometers are fielded to reduce random uncertainties. An analytic model (which accounts for pinhole-diffraction effects) of the sensitivity of an array-diode combination is presented.

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Helium bubble linkage and the transition to rapid He release in aging Pd tritide

Cowgill, D.F.

A model is presented for the linking of helium bubbles growing in aging metal tritides. Stresses created by neighboring bubbles are found to produce bubble growth toward coalescence. This process is interrupted by the fracture of ligaments between bubble arrays. The condition for ligament fracture percolates through the material to reach external surfaces, leading to material micro-cracking and the release of helium within the linked-bubble cluster. A comparison of pure coalescence and pure fracture mechanisms shows the critical HeM concentration for bubble linkage is not strongly dependent on details of the linkage process. The combined stress-directed growth and fracture process produces predictions for the onset of rapid He release and the He emission rate. Transition to this rapid release state is determined from the physical size of the linked-bubble clusters, which is calculated from dimensional invariants in classical percolation theory. The result is a transition that depends on material dimensions. The onset of bubble linkage and rapid He release are found to be quite sensitive to the bubble spacing distribution, which is log-normal for bubbles nucleated by self-trapping.

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Operational characteristics and analysis of the immersed-Bz diode on RITS-3

Rovang, Dean C.; Johnston, Mark D.; Maenchen, John E.; Oliver, Bryan V.; Portillo, Salvador; Madrid, Elizabeth A.

The immersed-B{sub z} diode is being developed as a high-brightness, flash x-ray radiography source. This diode is a foil-less electron-beam diode with a long, thin, needle-like cathode inserted into the bore of a solenoid. The solenoidal magnetic field guides the electron beam emitted from the cathode to the anode while maintaining a small beam radius. The electron beam strikes a thin, high-atomic-number anode and produces bremsstrahlung. We report on an extensive series of experiments where an immersed-B{sub z} diode was fielded on the RITS-3 pulsed power accelerator, a 3-cell inductive voltage generator that produced peak voltages between 4 and 5 MV, {approx}140 kA of total current, and power pulse widths of {approx}50 ns. The diode is a high impedance device that, for these parameters, nominally conducts {approx}30 kA of electron beam current. Diode operating characteristics are presented and two broadly characterized operating regimes are identified: a nominal operating regime where the total diode current is characterized as classically bipolar and an anomalous impedance collapse regime where the total diode current is in excess of the bipolar limit and up to the full accelerator current. The operating regimes are approximately separated by cathode diameters greater than {approx}3 mm for the nominal regime and less than {approx} 3 mm for the anomalous impedance collapse regime. This report represents a compilation of data taken on RITS-3. Results from key parameter variations are presented in the main body of the report and include cathode diameter, anode-cathode gap, and anode material. Results from supporting parameter variations are presented in the appendices and include magnetic field strength, prepulse, pressure and accelerator variations.

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Advancement in thermal interface materials for future high-performance electronic applications. Part 1

Emerson, John A.; Rightley, Michael J.; Wong, Chungnin C.; Huber, Dale L.; Jakaboski, Blake E.

As electronic assemblies become more compact and increase in processing bandwidth, escalating thermal energy has become more difficult to manage. The major limitation has been nonmetallic joining using poor thermal interface materials (TIM). The interfacial, versus bulk, thermal conductivity of an adhesive is the major loss mechanism and normally accounts for an order magnitude loss in conductivity per equivalent thickness. The next generation TIM requires a sophisticated understanding of material and surface sciences, heat transport at submicron scales, and the manufacturing processes used in packaging of microelectronics and other target applications. Only when this relationship between bond line manufacturing processes, structure, and contact resistance is well-understood on a fundamental level will it be possible to advance the development of miniaturized microsystems. This report examines using thermal and squeeze-flow modeling as approaches to formulate TIMs incorporating nanoscience concepts. Understanding the thermal behavior of bond lines allows focus on the interfacial contact region. In addition, careful study of the thermal transport across these interfaces provides greatly augmented heat transfer paths and allows the formulation of very high resistance interfaces for total thermal isolation of circuits. For example, this will allow the integration of systems that exhibit multiple operational temperatures, such as cryogenically cooled detectors.

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Detection of carbon monoxide (CO) as a furnace byproduct using a rotating mask spectrometer

Pfeifer, Kent B.; Sinclair, Michael B.

Sandia National Laboratories, in partnership with the Consumer Product Safety Commission (CPSC), has developed an optical-based sensor for the detection of CO in appliances such as residential furnaces. The device is correlation radiometer based on detection of the difference signal between the transmission spectrum of the sample multiplied by two alternating synthetic spectra (called Eigen spectra). These Eigen spectra are derived from a priori knowledge of the interferents present in the exhaust stream. They may be determined empirically for simple spectra, or using a singular value decomposition algorithm for more complex spectra. Data is presented on the details of the design of the instrument and Eigen spectra along with results from detection of CO in background N{sub 2}, and CO in N{sub 2} with large quantities of interferent CO{sub 2}. Results indicate that using the Eigen spectra technique, CO can be measured at levels well below acceptable limits in the presence of strongly interfering species. In addition, a conceptual design is presented for reducing the complexity and cost of the instrument to a level compatible with consumer products.

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International perceptions of US nuclear policy

Stanley, Elizabeth A.

The report presents a summary of international perceptions and beliefs about US nuclear policy, focusing on four countries--China, Iran, Pakistan and Germany--chosen because they span the spectrum of states with which the United States has relationships. A paradox is pointed out: that although the goal of US nuclear policy is to make the United States and its allies safer through a policy of deterrence, international perceptions of US nuclear policy may actually be making the US less safe by eroding its soft power and global leadership position. Broadly held perceptions include a pattern of US hypocrisy and double standards--one set for the US and its allies, and another set for all others. Importantly, the US nuclear posture is not seen in a vacuum, but as one piece of the United States behavior on the world stage. Because of this, the potential direct side effects of any negative international perceptions of US nuclear policy can be somewhat mitigated, dependent on other US policies and actions. The more indirect and long term relation of US nuclear policy to US international reputation and soft power, however, matters immensely to successful multilateral and proactive engagement on other pressing global issues.

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ITER first wall Module 18 - The US effort

Fusion Engineering and Design

Nygren, Richard E.; Ulrickson, M.A.; Tanaka, T.J.; Youchison, Dennis L.; Lutz, Thomas J.; Bullock, J.; Hollis, K.J.

The US will supply outboard Module 18 for the International Thermonuclear Experimental Reactor. This module, radially thinner than other modules with a "nose" that curves radially outward to mate with the divertor, has the potential for high electromagnetic (EM) loads from vertical displacement events and high heat loads. The 316LN-IG shield block and first wall (FW) panels must be slotted to mitigate the EM loads and progress in developing the design is summarized. The FW has beryllium (Be) armor joined to a water-cooled CuCrZr heat sink with embedded 316LN-IG cooling channels. The US Team is considering possible fabrication methods as the design develops. Brief results of high heat flux experiments at Sandia on mockups with plasma-sprayed Be armor prepared at Los Alamos National Laboratory are noted. © 2005 Elsevier B.V. All rights reserved.

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Two-dimensional implicit time-dependent calculations on adaptive unstructured meshes with time evolving boundaries

International Journal for Numerical Methods in Fluids

Lin, Paul T.; Baker, Timothy J.; Martinelli, Luigi; Jameson, Antony

An implicit multigrid-driven algorithm for two-dimensional incompressible laminar viscous flows has been coupled with a solution adaptation method and a mesh movement method for boundary movement. Time-dependent calculations are performed implicitly by regarding each time step as a steady-state problem in pseudo-time. The method of artificial compressibility is used to solve the flow equations. The solution mesh adaptation method performs local mesh refinement using an incremental Delaunay algorithm and mesh coarsening by means of edge collapse. Mesh movement is achieved by modeling the computational domain as an elastic solid and solving the equilibrium equations for the stress field. The solution adaptation method has been validated by comparison with experimental results and other computational results for low Reynolds number flow over a shedding circular cylinder. Preliminary validation of the mesh movement method has been demonstrated by a comparison with experimental results of an oscillating airfoil and with computational results for an oscillating cylinder. Copyright © 2005 John Wiley & Sons, Ltd.

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A packed microcolumn approach to a cell-based biosensor

Sensors and Actuators, B: Chemical

Flemming, Jeb H.; Baca, Helen K.; Werner-Washburne, Margaret; Brozik, Susan M.; López, Gabriel P.

We present and evaluate a new approach to cell immobilization for use in cell-based biosensors. We have fabricated a microfluidic channel using poly(dimethylsiloxane) (PDMS) with cell entrapment posts for the gentle packing and immobilization of yeast cells. This method of immobilization allows for a density of metabolically active cells greater than 8.0 × 106 cells/mm3. The packed microcolumn approach addresses simple diffusional limitations inherent in traditional suspension and membrane entrapment techniques. By utilizing genetically engineered whole cells, rather then cellular components, the sensor is capable of detecting and responding to a wide range of biologically active compounds. In this study, Saccharomyces cerevisiae was genetically engineered to produce yellow fluorescent protein (YFP) when exposed to galactose. Fluorescence response of packed cells (G 1 phase) to galactose required 40% longer than the fluorescent response of cells grown in suspension. To address concerns of long-term viability (>60 days) and cell overgrowth, stationary phase cells were also tested in the microfluidic channel. Response time required approximately 50% longer than non-stationary phase cells packed inside the microfluidic channel. Additionally, cellular response as a function of the target analyte concentration was investigated and response time versus analyte concentration is reported. This report demonstrates proof-of-concept of using protein expression-based biosensors, based upon a packed, microcolumn architecture, as a dependable long-term storage platform. © 2005 Elsevier B.V. All rights reserved.

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Effects of evolving surface morphology on yield during focused ion beam milling of carbon

Applied Surface Science

Adams, D.P.; Mayer, T.M.; Vasile, M.J.; Archuleta, Kim A.

We investigate evolving surface morphology during focused ion beam bombardment of C and determine its effects on sputter yield over a large range of ion dose (10 17 -10 19 ions/cm 2 ) and incidence angles (Θ = 0-80°). Carbon bombarded by 20 keV Ga + either retains a smooth sputtered surface or develops one of two rough surface morphologies (sinusoidal ripples or steps/terraces) depending on the angle of ion incidence. For conditions that lead to smooth sputter-eroded surfaces there is no change in yield with ion dose after erosion of the solid commences. However, for all conditions that lead to surface roughening we observe coarsening of morphology with increased ion dose and a concomitant decrease in yield. A decrease in yield occurs as surface ripples increase wavelength and, for large Θ, as step/terrace morphologies evolve. The yield also decreases with dose as rippled surfaces transition to have steps and terraces at Θ = 75°. Similar trends of decreasing yield are found for H 2 O-assisted focused ion beam milling. The effects of changing surface morphology on yield are explained by the varying incidence angles exposed to the high-energy beam. © 2005 Elsevier B.V. All rights reserved.

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Results 83001–83200 of 96,771
Results 83001–83200 of 96,771