A New Linear Inductive Voltage Adder Driver for the Saturn Accelerator
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Science
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Journal of Contaminant Hydrology
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Journal of Materials Research
In this investigation, YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} (YBCO) films were fabricated via a metal acetate, trifluoroacetic acid based sol-gel route, and spin-coat deposited on (100) LaAlO{sub 3} with a focus on maximizing J{sub c}, while minimizing processing time. We demonstrate that the use of a low pO{sub 2} atmosphere during the pyrolysis stage can lead to at least a tetiold reduction in pyrolysis time, compared to a 1 atm. O{sub 2} ambient. High-quality YBCO films on LaAlO{sub 3}, with J{sub c} values up to 3 MA/cm{sup 2} at 77 K, can be routinely crystallized from these rapidly pyrolyzed films.
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The Department of Energy (DOE) is working to accelerate the acceptance and application of innovative technologies that improve the way the nation manages its environmental remediation problems. The DOE Office of Science and Technology established the Accelerated Site Technology Deployment Program (ASTD) to help accelerate the acceptance and implementation of new and innovative soil and ground water remediation technologies. Coordinated by the Department of Energy's Idaho Office, the ASTD Program reduces many of the classic barriers to the deployment of new technologies by involving government, industry, and regulatory agencies in the assessment, implementation, and validation of innovative technologies. Funding is provided through the ASTD Program to assist participating site managers in implementing innovative technologies. The program provides technical assistance to the participating DOE sites by coordinating DOE, industry, and regulatory participation in each project; providing finds for optimizing full-scale operating parameters; coordinating technology performance monitoring; and by developing cost and performance reports on the technology applications.
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Journal of Geophysical Research
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Physics of Plasmas
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Journal of Colloid and Interface Science
Atomically flat monolayer and trilayer films of polydiacetylenes have been prepared on mica and silicon using a horizontal deposition technique from a pure water subphase. Langmuir films of 10,12-pentacosadiynoic acid (I) and N-(2-ethanol)-10,12-pentacosadiynamide (II) were compressed to 20 mN/m and subsequently polymerized by UV irradiation at the air-water interface. Blue and red forms of the films were prepared by varying exposure times and incident power. Polymerization to the blue-phase films produced slight contractions of 2 and 5% for the films of II and I, respectively. Longer UV exposures yielded red-phase films with dramatic film contraction of 15 and 32% for II and I, respectively. The horizontal deposition technique provided transfer ratios of unity with minimal film stress or structure modification. Atomic force microscopy images revealed nearly complete coverage of the substrate with atomically flat films. Crystalline domains of up to 100 micrometers of highly oriented polydiacetylene molecules were observed. The results reported herein provide insight into the roles of molecular packing and chain orientations in converting the monomeric film to the polymerized blue and red phases. (C) 2000 Academic Press.
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Understanding high pressure behavior materials is necessary in order to address the physical processes associated with hypervelocity impact events related to space science applications including orbital debris impact and impact lethality. Until recently the highest-pressure states in materials have been achieved from impact loading techniques from two-stage light gas guns with velocity limitations of approximately 81cm/s. In this paper, techniques that are being developed and implemented to obtain the needed shock loading parameters (Hugoniot states) for material characterization studies, namely shock velocity and particle velocity, will be described at impact velocities up to 11 kds. The determination of equation-of-state (EOS) and thermodynamic states of materials in the regimes of extreme high pressures is now attainable utilizing the three-stage launcher. What is new in this report is that these techniques are being implemented for use at engagement velocities never before attained utilizing two-stage light-gas gun technology. The design and test methodologies used to determine Hugoniot states are described in this paper.
Journal of Applied Physics
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Sweeping has become the workhorse algorithm for creating conforming hexahedral meshes of complex models. This paper describes progress on the automatic, robust generation of MultiSwept meshes in CUBIT. MultiSweeping extends the class of volumes that may be swept to include those with multiple source and multiple target surfaces. While not yet perfect, CUBIT's MultiSweeping has recently become more reliable, and been extended to assemblies of volumes. Sweep Forging automates the process of making a volume (multi) sweepable: Sweep Verification takes the given source and target surfaces, and automatically classifies curve and vertex types so that sweep layers are well formed and progress from sources to targets.
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Applied Physics Letters
We demonstrate that the insertion of low-temperature (LT) AlGaN interlayers is effective in reducing mismatch-induced tensile stress and suppressing the formation of cracks during growth of AlGaN directly upon GaN epilayers., Stress evolution and relaxation is monitored using an in-situ optical stress sensor. The combination of in-situ and ex-situ. characterization techniques enables us to determine the degree of pseudomorphism in the interlayers. It is observed that the elastic tensile mismatch between AlGaN and GaN is mediated by the relaxation of interlayers; the use of interlayers offers tunability in the in-plane lattice parameters.
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Plasma Physics
The wide-range conductivity model of Lee and More is modified to allow better agreement with recent experimental data and theories for dense plasmas in the metal-insulator transition regime. Modifications primarily include a new ionization equilibrium model, consisting of a smooth blend between single ionization Saha (with a pressure ionization correction) and the generic Thomas-Fermi ionization equilibrium, a more accurate treatment of electron-neutral collisions using a polarization potential, and an empirical modification to the minimum allowed collision time. These simple modifications to the Lee-More algorithm permit a more accurate modeling of the physics near the metal-insulator transition, while preserving the generic Lee-More results elsewhere.
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Cal. Lab Magazine
Intrinsic standards are widely used in the metrology community because they realize the best level uncertainty for many metrology parameters. For some intrinsic standards, recommended practices have been developed to assist metrologists in the selection of equipment and the development of appropriate procedures in order to realize the intrinsic standard. As with the addition of any new standard, the metrology laboratory should consider the pros and cons relative to their needs before purchasing the standard so that the laboratory obtains the maximum benefit from setting up and maintaining these standards. While the specific issues that need to be addressed depend upon the specific intrinsic standard and the level of realization, general issues that should be considered include ensuring that the intrinsic standard is compatible with the laboratory environment, that the standard is compatible with the current and future workload, and whether additional support standards will be required in order to properly maintain the intrinsic standard. When intrinsic standards are used to realize the best level of uncertainty for a specific metrology parameter, they usually require critical and important maintenance activities. These activities can including training of staff in the system operation, as well as safety procedures; performing periodic characterization measurements to ensure proper system operation; carrying out periodic intercomparisons with similar intrinsic standards so that proper operation is demonstrated; and maintaining control or trend charts of system performance. This paper has summarized many of these important issues and therefore should be beneficial to any laboratory that is considering the purchase of an intrinsic standard.
The US Department of Energy (DOE) created the Nuclear Energy Research Initiative (NERI) in 1999 to conduct research and development with the objectives of: (1) overcoming the principal technical obstacles to expanded nuclear energy use, (2) advancing the state of nuclear technology to maintain its competitive position in domestic and world markets, and (3) improving the performance, efficiency, reliability, and economics of nuclear energy. The NERI program is now beginning its second year with increased funding and an emphasis on international participation. Among the programs selected for funding was the ``Smart Equipment and Systems to Improve Reliability and Safety in Future Nuclear Power Plant Operations''. This program is a 36 month collaborative effort bringing together the technical capabilities of Westinghouse Nuclear Automation, Sandia National Laboratories, Duke Engineering and Services (DE and S), Massachusetts Institute of Technology (MIT) and Pennsylvania State University (PSU). The goal of the program is to design, develop, and evaluate an integrated set of tools and methodologies that can improve the reliability and safety of advanced nuclear power plants through the introduction of smart equipment and predictive maintenance technology. The results have implications for reduced construction costs. This paper discusses: (1) the goals and significance of the program, (2) the significant achievements of the program's first year and the current direction for its continuing efforts and (3) potential cooperation with the domestic nuclear and component manufacturing industries, and with international organizations.
Surface Science
Ab initio kink-formation energies are about 0.25 and 0.18 eV on the (100)- and (111)-microfacet steps of Pt(111), while the sum of the step-formation energies is approximately 0.75 eV/atom. These results imply a specific ratio of formation energies for the two step types, namely 1.14, in excellent agreement with experiment. If kink-formation costs the same energy on the two step types, an inference recently drawn from scanning probe observations of step wandering, this ratio ought to be unity.
International Journal for Numerical Methods in Engineering
H-Morph is a new automatic algorithm for the generation of a hexahedral-dominant finite element mesh for arbitrary volumes. The H-Morph method starts with an initial tetrahedral mesh and systematically transforms and combines tetrahedra into hexahedra. It uses an advancing front technique where the initial front consists of a set of prescribed quadrilateral surface facets. Fronts arc individually processed by recovering each of the six quadrilateral faces of a hexahedron from the tetrahedral mesh. Recovery techniques similar to those used in boundary constrained Delaunay mesh generation are used. Tetrahedra internal to the six hexahedral faces are then removed and a hexahedron is formed. At any time during the H-Morph procedure a valid mixed hexahedral-tetrahedral mesh is in existence within the volume. The procedure continues until no tetrahedra remain within the volume, or tetrahedra remain which cannot be transformed or combined into valid hexahedral elements. Any remaining tetrahedra are typically towards the interior of the volume, generally a less critical region for analysis. Transition from tetrahedra to hexahedra in the final mesh is accomplished through pyramid-shaped elements. Advantages of the proposed method include its ability to conform to an existing quadrilateral surface mesh, its ability to mesh without the need to decompose or recognize special classes of geometry, and its characteristic well-aligned layers of elements parallel to the boundary. Example test cases are presented on a variety of models. Copyright © 2000 John Wiley & Sons, Ltd.
Journal of Geophysical Research
Recent studies have observed compaction zones pass through porous rock under axisymmetric compression. An initially thin, compacted layer appears at the yield point of the stress-strain curve and then grows by thickening in the direction of maximum compression at constant stress. Strain localization theory has been applied to compaction to explain the formation of these features. This paper describes the growth of the compaction zones, that is, the propagation of their boundaries, in terms of shock wave analysis. The ratio of the applied shortening rate to the velocity of the boundary is related to the porosity change across the boundary. Certain features of the stress-strain curve are explained by the model.
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In May 1998, the US Environmental Agency (EPA) certified the US Department of Energy's (DOE) Waste Isolation Pilot Plant (WIPP) as being in compliance with all of the applicable regulations governing the permanent disposal of spent nuclear fuel, high-level waste, and transuranic radioactive waste. The WIPP, a transuranic waste repository, is the first deep geologic repository in the US to have successfully demonstrated regulatory compliance with long-term radioactive waste disposal regulations and be certified to receive wastes. Many lessons were learned throughout the 25-year history of the WIPP--from site selection to the ultimate successful certification. The experiences and lessons learned from the WIPP may be of general interest to other repository programs in the world. The lessons learned include all facets of a repository program: programmatic, managerial, regulatory, technical, and social. This paper addresses critical issues that arose during the 25 years of WIPP history and how they influenced the program.
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Solid-State Electronics
The performance capabilities of pnp InGaAsN-based heterojunction bipolar transistors (HBTs) for use in complementary HBT technology have been theoretically addressed with a two-dimensional simulation program based on the drift-diffusion model. Simulation results closely reproduce the DC characteristics experimentally observed from the first demonstrated pnp AlGaAs/InGaAsN HBT with a current gain of 18 and a turn-on voltage around 0.89 V. Numerous design approaches have been explored to maximize the transistor performances. As a result, a substantial improvement of the DC current gain (by a factor of 2-3) and high-frequency operation performances (with fT and fMAX values up to 10 GHz) can be easily achieved with the proper use of varying base thickness XB and dopant-graded base. The effect of the quaternary band-gap value EG is also addressed. Simulation results show that pnp device with turn-on voltage approximately 0.7 V can be produced by lowering EG to 1.0 eV, without any important degradation of DC and RF properties, because hole transport at the emitter/base side is not strongly affected. The replacement of the InGaAsN collector by GaAs is finally reported. Comparable DC and improved RF simulated performances are observed from this double HBT structure that takes advantages of the negligible valence band offset at the base/collector interface. These encouraging performances demonstrate the practicability of using InGaAsN-based HBTs for complementary low-power applications.
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In this paper we introduce by means of examples a new technique for formulating compact (i.e. polynomial-size) LP relaxations in place of exponential-size models requiring separation algorithms. In the same vein as a celebrated theorem by Groetschel, Lovasz and Schrijver, we state the equivalence of compact separation and compact optimization. Among the examples used to illustrate our technique, we introduce a new formulation for the Traveling Salesman Problem, whose relaxation we show equivalent to the subtour elimination relaxation.
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The desire to move high-energy Pulsed Power systems from the laboratory to practical field systems requires the development of compact lightweight drivers. This paper concerns an effort to develop such a system based on a plastic laminate strip Blumlein as the final pulseshaping stage for a 600 kV, 50ns, 5-ohm driver. A lifetime and breakdown study conducted with small-area samples identified Kapton sheet impregnated with Propylene Carbonate as the best material combination of those evaluated. The program has successfully demonstrated techniques for folding large area systems into compact geometry's and vacuum impregnating the laminate in the folded systems. The major operational challenges encountered revolve around edge grading and low inductance, low impedance switching. The design iterations and lessons learned are discussed. A multistage prototype testing program has demonstrated 600kV operation on a short 6ns line. Full-scale prototypes are currently undergoing development and testing.
Federally funded research and development centers (FFRDCS) area unique class of research and development (R and D) facilities that share aspects of private and public ownership. Some FFRDCS have been praised as national treasures, but FFRDCS have also been the focus of much criticism through the years. This paper traces the history of FFRDCS through four periods: (1) the World War II era, which saw the birth of federal R and D centers that would eventually become FFRDCS; (2) the early Cold War period, which exhibited a proliferation of FFRDCS despite their unclear legislative status and growing tension with an increasingly capable and assertive defense industry, (3) there-evaluation and retrenchment of FFRDCS in the 1960s and early 1970s, which resulted in a dramatic decline in the number of FFRDCS; and (4) the definition and codification of the FFRDC entity in the late 1970s and 1980s, when Congress and the executive branch worked together to formalize regulations to control FFRDCS. The paper concludes with observations on the status of FFRDCS at the end of the twentieth century.
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The force exerted on the rotor by an active magnetic bearing (AMB) is determined by the current flow in the magnet coils. This force can be controlled very precisely, making magnetic bearings a potential benefit for grinding, where cutting forces act as external disturbances on the shaft, resulting in degraded part finish. It is possible to achieve precise shaft positioning, reduce vibration of the shaft caused by external disturbances, and even damp out resonant modes. Adaptive control is an appealing approach for these systems because the controller can tune itself to account for an unknown periodic disturbance, such as cutting or grinding forces, injected into the system. In this paper the authors show how one adaptive control algorithm can be applied to an AMB system with a periodic disturbance applied to the rotor. An adaptive algorithm was developed and implemented in both simulation and hardware, yielding significant reductions in rotor displacement in the presence of an external excitation. Ultimately, this type of algorithm could be applied to a magnetic bearing grinder to reduce unwanted motion of the spindle which leads to poor part finish and chatter.
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In this paper the authors present the current status of an unsteady 3D parachute simulation code which is being developed at Sandia National Laboratories under the Department of Energy's Accelerated Strategic Computing Initiative (ASCI). The Vortex Inflation PARachute code (VIPAR) which embodies this effort will eventually be able to perform complete numerical simulations of ribbon parachute deployment, inflation, and steady descent. At the present time they have a working serial version of the uncoupled fluids code which can simulate unsteady 3D incompressible flows around bluff bodies made up of triangular membrane elements. A parallel version of the code has just been completed which will allow one to compute flows over complex geometries utilizing several thousand processors on one of the new DOE teraFLOP computers.
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IEEE Transactions in Plasma Science
In conjunction with ongoing high-current experiments on Sandia National Laboratories' Z accelerator, the authors have revisited a problem first described in detail by Heinz Knoepfel. Unlike the 1-Tesla MITLs of pulsed power accelerators used to produce intense particle beams, Z's disc transmission line (downstream of the current addition) is in a 100--1,200 Tesla regime, so its conductors cannot be modeled simply as static infinite conductivity boundaries. Using the MHD code MACH2 they have been investigating the conductor hydrodynamics, characterizing the joule heating, magnetic field diffusion, and material deformation, pressure, and velocity over a range of current densities, current rise-times, and conductor materials. Three purposes of this work are (1) to quantify power flow losses owing to ultra-high magnetic fields, (2) to model the response of VISAR diagnostic samples in various configurations on Z, and (3) to incorporate the most appropriate equation of state and conductivity models into the MHD computations. Certain features are strongly dependent on the details of the conductivity model.
Modelling and Simulation in Materials Science Engineering
The authors discuss their new implementation of the Adaptive Coordinate Real-space Electronic Structure (ACRES) method for studying the atomic and electronic structure of infinite periodic as well as finite systems, based on density functional theory. This improved version aims at making the method widely applicable and efficient, using high performance Fortran on parallel architectures. The scaling of various parts of an ACRES calculation is analyzed and compared to that of plane-wave based methods. The new developments that lead to enhanced performance, and their parallel implementation, are presented in detail. They illustrate the application of ACRES to the study of elemental crystalline solids, molecules and complex crystalline materials, such as blue bronze and zeolites.
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As more complex and functionally diverse requirements are placed on high consequence embedded applications, ensuring safe and secure operation requires an execution environment that is ultra reliable from a system viewpoint. In many cases the safety and security of the system depends upon the reliable cooperation between the hardware and the software to meet real-time system throughput requirements. The selection of a microprocessor and its associated development environment for an embedded application has the most far-reaching effects on the development and production of the system than any other element in the design. The effects of this choice ripple through the remainder of the hardware design and profoundly affect the entire software development process. While state-of-the-art software engineering principles indicate that an object oriented (OO) methodology provides a superior development environment, traditional programming languages available for microprocessors targeted for deeply embedded applications do not directly support OO techniques. Furthermore, the microprocessors themselves do not typically support nor do they enforce an OO environment. This paper describes a system level approach for the design of a microprocessor intended for use in deeply embedded high consequence applications that both supports and enforces an OO execution environment.
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Operational Radiation Safety
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The mission of the Architectural Surety{trademark} program at Sandia National Laboratories is to assure the performance of buildings, facilities, and other infrastructure systems under normal, abnormal, and malevolent threat conditions. Through educational outreach efforts in the classroom, at conferences, and presentations such as this one, public and professional awareness of the need to defuse and mitigate such threats is increased. Buildings, airports, utilities, and other kinds of infrastructure deteriorate over time, as evidenced most dramatically by the crumbling cities and aging buildings, bridges, and other facility systems. Natural disasters such as tornadoes, earthquakes, hurricanes, and flooding also stress the materials and structural elements of the built environment. In addition, criminals, vandals, and terrorists attack federal buildings, dams, bridges, tunnels, and other public and private facilities. Engineers and architects are beginning to systematically consider these threats during the design, construction, and retrofit phases of buildings and infrastructures and are recommending advanced research in new materials and techniques. Existing building codes and standards do not adequately address nor protect the infrastructure or the public from many of these emerging threats. The activities in Sandia National Laboratories' Architectural Surety{trademark} efforts take a risk management approach to enhancing the safety, security, and reliability of the constructed environment. The technologies and techniques developed during Sandia's 50 years as the nation's lead laboratory for nuclear weapons surety are now being applied to assessing and reducing the vulnerability of dams, to enhancing the safety and security of staff in foreign embassies, and assuring the reliability of other federal facilities. High consequence surety engineering and design brings together technological advancements, new material requirements, systems integration, and risk management to improve the safety, security, and reliability of the as-built environment. The thrust of this paper is the role that new materials can play in protecting the infrastructure. Retrofits of existing buildings, innovative approaches to the design and construction of new facilities, and the mitigation of consequences in the event of an unpreventable disaster are some of the areas that new construction materials can benefit the Architectural Surety{trademark} of the constructed environment.
Sandia has recently completed the flight certification test series for the Multi-Spectral Thermal Imaging satellite (MTI), which is a small satellite for which Sandia was the system integrator. A paper was presented at the 16th Aerospace Testing Seminar discussing plans for performing the structural dynamics certification program for that satellite. The testing philosophy was originally based on a combination of system level vibroacoustic tests and component level shock and vibration tests. However, the plans evolved to include computational analyses using both Finite Element Analysis and Statistical Energy Analysis techniques. This paper outlines the final certification process and discuss lessons learned including both things that went well and things that should/could have been done differently.
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Many Sandia components for military applications are designed for a 20-year life. In order to determine if magnetic components meet that requirement, the parts are subjected to selected destructive tests. This paper reviews the re-design of a power transformer and the tests required to prove-in the re-design. The re-design included replacing the Epon 828/Mica/methylenedianiline (curing agent Z) epoxy encapsulant with a recent Sandia National Laboratory (SNL) developed epoxy encapsulant. The new encapsulant reduces the Environmental Safety and Health (ES and H) hazards. Life testing of this re-designed transformer generated failures; an open secondary winding. An experimental program to determine the cause of the broken wires and an improved design to eliminate the problem was executed. This design weakness was corrected by reverting to the hazardous epoxy system.
Thirteen segmented aluminum honeycomb samples (5 in. diameter and 1.5 in. height) have been crushed in an experimental configuration that uses a drop table impact machine. The 38.0 pcf bulk density samples are a unique segmented geometry that allows the samples to be crushed while maintaining a constant cross-sectional area. A crush weight of 175 lb was used to determine the rate sensitivity of the honeycomb's highest strength orientation, T-direction, in a dynamic environment of {approx}50 fps impact velocity. Experiments were conducted for two honeycomb manufacturers and at two temperatures, ambient and +165 F. Independent measurements of the crush force were made with a custom load cell and a force derived from acceleration measurements on the drop table using the Sum of Weighted Accelerations Technique with a Calibrated Force (SWAT-CAL). Normalized stress-strain curves for all thirteen experiments are included and have excellent repeatability. These data are strictly valid for material characteristics in the T orientation because the cross-sectional area of the honeycomb did not change during the crush. The dynamic crush data have a consistent increase in crush strength of {approximately}7--19% as compared to quasi-static data and suggest that dynamic performance may be inferred from static tests. An uncertainty analysis estimates the error in these data is {+-} 11%.
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Earth and Planetary Science Letters
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The Mechanics of Adhesion
There has been considerable progress in recent years towards developing a stress intensity factor-based method for predicting crack initiation at a sharp, bimaterial comer. There is now a comprehensive understanding of the nature of multi-material, two-dimensional, linear-elastic, wedge-tip stress fields. In general, the asymptotic stress state at the apex of dissimilar bonded elastic wedges (i.e. at an interface comer) can have one or more power-law singularities of differing strength and with exponents that can be real or complex. There are, however; many configurations of practical importance, (e.g. adhesively bonded butt joints, hi-material beams, etc.) where interface-comer stresses are described by one, real-valued power-law singularity. In such cases, one can reasonably hypothesize that failure occurs at a critical value of the stress intensity factor: when K{sub a}=K{sub ac}.This approach is completely analogous to LEFM except that the critical stress intensity factor is associated with a discontinuity other than a crack. To apply the K{sub ac} criterion, one must be able to accurately calculate K{sub a} for arbitrary geometries. There are several well-established methods for calculating K{sub a}. These include matching asymptotic and detailed finite element results, evaluation of a path-independent contour integral, and general finite element methods for calculating K. for complex geometries. A rapidly expanding catalog of K{sub a} calibrations is now available for a number of geometries of practical interest. These calibrations provide convenient formulas that can be used in a failure analysis without recourse to a detailed numerical analysis. The K{sub ac} criterion has been applied with some notable successes. For example, the variation in strength of adhesively bonded butt joints with bond thickness and the dependence of this relationship on adhered stiffness is readily explained. No other one-parameter fracture criterion is able to make this sort of prediction. Nevertheless, the interface-corner fracture toughness approach is just in its initial states of development, and its strengths and limitations must be more clearly defined. There are still numerous issues yet to be resolved, including the development of methods for treating time-dependent response, three-dimensional comers, large-scale yielding, and the development of a criterion that can be applied when the comer stress state is not characterized by a single K{sub a}.
Assuring hard real-time characteristics of I/O associated with embedded software is often a difficult task. Input-Output related statements are often intermixed with the computational code, resulting in I/O timing that is dependent on the execution path and computational load. One way to mitigate this problem is through the use of interrupts. However, the non-determinism that is introduced by interrupt driven I/O may be so difficult to analyze that it is prohibited in some high consequence systems. This paper describes a balanced hardware/software solution to obtain consistent interrupt-free I/O timing, and results in software that is much more amenable to analysis.
Journal of power Sources
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The Simulation Intranet/Product Database Operator (SI/PDO) project has developed a Web-based distributed object architecture for high performance scientific simulation. A Web-based Java interface guides designers through the design and analysis cycle via solid and analytical modeling, meshing, finite element simulation, and various forms of visualization. The SI/PDO architecture has evolved in steps towards satisfying Sandia's long-term goal of providing an end-to-end set of services for high fidelity full physics simulations in a high-performance, distributed, and distance computing environment. This paper describes the continuing evolution of the architecture to provide high-performance visualization services. Extensions to the SI/PDO architecture allow web access to visualization tools that run on MP systems. This architecture makes these tools more easily accessible by providing web-based interfaces and by shielding the user from the details of these computing environments. The design is a multi-tier architecture, where the Java-based GUI tier runs on a web browser and provides image display and control functions. The computation tier runs on MP machines. The middle tiers provide custom communication with MP machines, remote file selection, remote launching of services, load balancing, and machine selection. The architecture allows middleware of various types (CORBA, COM, RMI, sockets, etc.) to connect the tiers depending upon the situation. Testing of constantly developing visualization tools can be done in an environment where there are only two tiers which both run on desktop machines. This allows fast testing turnaround and does not use compute cycles on high-performance machines. Once the code and interfaces are tested, they are moved to high-performance machines, and new tiers are added to handle the problems of using these machines. Uniform interfaces are used throughout the tiers to allow this flexibility. Experiments test the appropriate level of interface: either a large set of specific function calls or a small set of generic function calls. This architecture is based on the goals and constraints of the environment: huge data volumes (that cannot be easily moved), use of multiple middleware protocols, MP platform portability, rapid development of the visualization tools, distributed resource management (of MP resources), and the use of existing visualization tools.
IEEE Transactions on Nuclear Science
The characteristics Of ion-induced charge collection and single-event upset are studied in SOI transistors and circuits with various body tie structures. Impact ionization effects including single-event snapback are shown to be very important. Focused ion microbeam experiments are used to find single-event snapback drain voltage thresholds in n-channel SOI transistors as a function of device width. Three-Dimensional device simulations are used to determine single-event upset and snapback thresholds in SOI SRAMS, and to study design tradeoffs for various body-tie structures. A window of vulnerability to single-event snapback is shown to exist below the single-event upset threshold. The presence of single-event snapback in commercial SOI SRAMS is confirmed through broadbeam ion testing, and implications for hardness assurance testing of SOI integrated circuits are discussed.
IEEE Transactions on Nuclear Science
Metal-oxide-silicon capacitors fabricated in a bi-polar process were examined for densities of oxide trapped charge, interface traps and deactivated substrate acceptors following high-dose-rate irradiation at 100 C. Acceptor neutralization near the Si surface occurs most efficiently for small irradiation biases in depletion. The bias dependence is consistent with compensation and passivation mechanisms involving the drift of H{sup +} ions in the oxide and Si layers and the availability of holes in the Si depletion region. Capacitor data from unbiased irradiations were used to simulate the impact of acceptor neutralization on the current gain of an npn bipolar transistor. Neutralized acceptors near the base surface enhance current gain degradation associated with radiation-induced oxide trapped charge and interface traps by increasing base recombination. The additional recombination results from the convergence of carrier concentrations in the base and increased sensitivity of the base to oxide trapped charge. The enhanced gain degradation is moderated by increased electron injection from the emitter. These results suggest that acceptor neutralization may enhance radiation-induced degradation of linear circuits at elevated temperatures.
IEEE Transactions on Nuclear Science
Abstract not provided.
Legislative and marketing forces both abroad and in the US are causing the electronics industry to consider the use of Pb-free solders in place of traditional Sn-Pb alloys. Previous case studies have demonstrated the satisfactory manufacturability and reliability of several Pb-free compositions for printed circuit board applications. Those data, together with the results of fundamental studies on Pb-free solder materials, have indicated the general feasibility of their use in the broader range of present-day, electrical and electronic components.
The development of liquid metal heat-pipes for use in solar powered Stirling engines has led to an in-depth analysis of heat-pipe wick properties. To model the flow of liquid sodium through the wick its two-phase permeability measurement is of interest. The permeability will be measured by constructing a test cell made up of a wick sample sintered to a manifold. Measuring the volumetric flow rate through the wick will allow for a determination of the wick's permeability as a function of pressure. Currently, simple estimates of permeability as a function of vapor fraction of a porous media are being used as a model to calculate the two-phase permeability. The above mentioned experiment will be used to test the existing formulas validity. The plan is to make use of a known procedure for testing permeability and apply those techniques to a felt-metal wick. The results will be used to verify and/or modify the two-phase permeability estimates. With the increasing desire to replace directly illuminated engines with the much more efficient heat-pipe apparatus it is inherently clear that the usefulness of known wick properties will make wick permeability design a simpler process.
From the results of the different bacterial cells seen, it is fairly certain that Gallionella is present because of the bean-shaped cells and twisted stalks found with the TEM. The authors cannot confirm, though, what other iron-oxidizing genera exist in the tubes, since the media was only preferential and not one that isolated a specific genus of bacteria. Based on the environment in which they live and the source of the water, they believe their cultures contain Gallionella, Leptothrix, and possibly Crenothrix and Sphaerotilus. They believe the genus Leptothrix rather than Sphaerotilus exist in the tubes because the water source was fresh, unlike the polluted water in which Sphaerotilus are usually found. The TEM preparations worked well. The cryogenic method rapidly froze the cells in place and allowed them to view their morphology. The FAA method, as stated previously, was the best of the three methods because it gave the best contrast. The gluteraldehyde samples did not come out as well. It is possible that the gluteraldehyde the authors prepared was still too concentrated and did not mix well. Although these bacteria were collected from springs and then cultured in an environment containing a presumably pure iron-bearing metal, it seems the tube already containing Manganese Gradient Medium could be used with a piece of metal containing these bacteria. A small piece of corroding metal could then be inserted into the test tube and cultured to study the bacteria.
The worst case bias during total dose irradiation of partially depleted SOI transistors (from SNL and from CEA/LETI) is correlated to the device architecture. Experiments and simulations are used to analyze SOI back transistor threshold voltage shift and charge trapping in the buried oxide.
Journal of the American Ceramic Society
The optimization of concentrated AlliedSignal GS-44 silicon nitride aqueous slurries for robocasting was investigated. The dispersion mechanisms of GS-44 Si{sub 3}N{sub 4} aqueous suspensions with and without polyacrylate were analyzed. The zero point of charge (ZPC) was at about pH 6. Well-dispersed GS-44 suspensions were obtained in the pH range from 7 to 11 by the addition of Darvan 821A. The influence of pH, amount of Darvan 821A and solids loading on the theological behavior of GS-44 aqueous suspensions was determined. A coagulant, aluminum nitrate, was used to control the yield stress and shear thinning behavior of highly loaded Si{sub 3}N{sub 4} slurries. Homogeneous and stable suspensions of 52 vol% GS-44 Si{sub 3}N{sub 4} were robocast successfully at pH 7.8 to pH 8.5. The sintering process, mechanical properties and microstructural characteristics of robocast GS-44 bars were determined.
Journal of the American Chemical Society
The authors use force-probe microscopy to study the friction force and the adhesive interaction for molecular monolayer self-assembled on both Au probe tips and substrate surfaces. By systematically varying the chemical nature of the end groups on these monolayers the authors have, for the first time, delineated the mechanical and chemical origins of molecular-level friction. They use chemically inert {double_bond}CH{sub 3} groups on both interracial surfaces to establish the purely mechanical component of the friction and contrast the results with the findings for chemically active {double_bond}COOH end-groups. In addition, by using odd or even numbers of methylene groups in the alkyl backbones of the molecules they are able to determine the levels of inter-film and intra-film hydrogen bonding.
Tribology Letters
The authors use scanning probe microscopy to actuate and characterize the nanoscale mechanochromism of polydiacetylene monolayer on atomically-flat silicon oxide substrates. They find explicit evidence that the irreversible blue-to-red transformation is caused by shear forces exerted normal to the polydiacetylene polymer backbone. The anisotropic probe-induced transformation is characterized by a significant change in the tilt orientation of the side chains with respect to the surface normal. They also describe a new technique, based on shear force microscopy, that allows them to image friction anisotropy of polydiacetylene monolayer independent of scan direction. Finally, they discuss preliminary molecular mechanics modeling and electronic structure calculations that allow them to understand the correlation of mechanochromism with bond-angle changes in the conjugated polymer backbone.
Solar thermal-to-electric power plants have been tested and investigated at Sandia National Laboratories (SNL) since the late 1970s, and thermal storage has always been an area of key study because it affords an economical method of delivering solar-electricity during non-daylight hours. This paper describes the design considerations of a new, single-tank, thermal storage system and details the benefits of employing this technology in large-scale (10MW to 100MW) solar thermal power plants. Since December 1999, solar engineers at Sandia National Laboratories' National Solar Thermal Test Facility (NSTTF) have designed and are constructing a thermal storage test called the thermocline system. This technology, which employs a single thermocline tank, has the potential to replace the traditional and more expensive two-tank storage systems. The thermocline tank approach uses a mixture of silica sand and quartzite rock to displace a significant portion of the volume in the tank. Then it is filled with the heat transfer fluid, a molten nitrate salt. A thermal gradient separates the hot and cold salt. Loading the tank with the combination of sand, rock, and molten salt instead of just molten salt dramatically reduces the system cost. The typical cost of the molten nitrate salt is $800 per ton versus the cost of the sand and rock portion at $70 per ton. Construction of the thermocline system will be completed in August 2000, and testing will run for two to three months. The testing results will be used to determine the economic viability of the single-tank (thermocline) storage technology for large-scale solar thermal power plants. Also discussed in this paper are the safety issues involving molten nitrate salts and other heat transfer fluids, such as synthetic heat transfer oils, and the impact of these issues on the system design.
Abstract not provided.
A figure of merit for optimization of a complete Stokes polarimeter based on its measurement matrix is described from the standpoint of singular value decomposition and analysis of variance. It is applied to optimize a system featuring a rotatable retarder and fixed polarizer, and to study the effects of non-ideal retarder properties. A retardance of 132{degree} (approximately three-eighths wave) and retarder orientation angles of {+-}51.7{degree} and {+-}15.1{degree} are favorable when four measurements are used. An achromatic, form-birefringent retarder for the 3--5 {micro}m spectral region has been fabricated and characterized. The effects of non-idealities in the form-birefringent retarder are moderate, and performance superior to that of a quarter-wave plate is expected.
The construction of inverse states in a finite field F{sub P{sub {alpha}}} enables the organization of the mass scale with fundamental octets in an eight-dimensional index space that identifies particle states with residue class designations. Conformance with both CPT invariance and the concept of supersymmetry follows as a direct consequence of this formulation. Based on two parameters (P{sub {alpha}} and g{sub {alpha}}) that are anchored on a concordance of physical data, this treatment leads to (1) a prospective mass for the muon neutrino of {approximately}27.68 meV, (2) a value of the unified strong-electroweak coupling constant {alpha}* = (34.26){sup {minus}1} that is physically defined by the ratio of the electron neutrino and muon neutrino masses, and (3) a see-saw congruence connecting the Higgs, the electron neutrino, and the muon neutrino masses. Specific evaluation of the masses of the corresponding supersymmetric Higgs pair reveals that both particles are superheavy (> 10{sup 18}GeV). No renormalization of the Higgs masses is introduced, since the calculational procedure yielding their magnitudes is intrinsically divergence-free. Further, the Higgs fulfills its conjectured role through the see-saw relation as the particle defining the origin of all particle masses, since the electron and muon neutrino systems, together with their supersymmetric partners, are the generators of the mass scale and establish the corresponding index space. Finally, since the computation of the Higgs masses is entirely determined by the modulus of the field P{sub {alpha}}, which is fully defined by the large-scale parameters of the universe through the value of the universal gravitational constant G and the requirement for perfect flatness ({Omega} = 1.0), the see-saw congruence fuses the concepts of mass and space and creates a new unified archetype.
Control objectives open an additional front in the survivability battle. A given set of control objectives is valuable if it represents good practices, it is complete (it covers all the necessary areas), and it is auditable. CobiT and BS 7799 are two examples of control objective sets.
Journal of Physical Chemistry B
Pentachlorophenol (PCP) is a toxic chlorinated aromatic molecule widely used as a fungicide, a bactericide, and a wood preservation, and thus is ubiquitous in the environment. We report photooxidation of PCP using a variety of nanosize semiconductor metal oxides and Sulfides in both aqueous and polar organic solvents and compare the photooxidation kinetics of these nanoclusters to widely studied bulk powders such as Degussa P25 TiO2 and CdS. We study both the light- intensity dependence of PCP photooxidation for nanosize SnO2 and the size dependence of PCP photooxidation for both nanosize SnO2 and MoS2. We find an extremely strong size dependence for the latter which we attribute to its size-dependent band gap and the associated change in redox potentials due to quantum confinement of the hole-electron pair. We show that nanosize MoS2 with a diameter of d = 3.0 nm and an absorbance edge of ∼450 nm is a very effective photooxidation catalyst for complete PCP mineralization, even when using only visible-light irradiation. © 2000 American Chemical Society.
The authors understanding of multiphase physics and the associated predictive capability for multi-phase systems are severely limited by current continuum modeling methods and experimental approaches. This research will deliver an unprecedented modeling capability to directly simulate three-dimensional multi-phase systems at the particle-scale. The model solves the fully coupled equations of motion governing the fluid phase and the individual particles comprising the solid phase using a newly discovered, highly efficient coupled numerical method based on the discrete-element method and the Lattice-Boltzmann method. A massively parallel implementation will enable the solution of large, physically realistic systems.
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This summer, the author was tasked with the development of a design and prototype for a Programming Adapter (PA). This device must interface to a specialized cluster of computers at a US Air Force programming station. The PA is a command/response system capable of recognizing commands from a host Programming Computer (PC) generating a response to these commands according to design requirements. The PA must also route classified serial data between a programming station and any target devices on the PA without compromising the data. In this manner, classified data can pass through the adapter, but when data transfer is complete, the PA can be handled as an unclassified piece of hardware.
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A series of inertial confinement fusion (ICF) capsule experiments were run on the Z machine at Sandia's Pulsed Power directorate. These experiments were designed specifically to implode a 2 mm diameter hollow plastic capsule filled with deuterium gas. The implosion of the capsule should raise the temperature (kinetic energy) of the deuterium gas ions, which will interact with each other and produce 2.45 MeV fusion neutrons. The author is reporting on one diagnostic technique used to measure the yield of these fusion neutrons. The technique chosen to measure the DD neutron yield is the use of lead (Pb) probe detectors. The assignment was to calibrate two detectors for the 2.50-MeV neutrons produced by the deuterium-deuterium fusion reactions on Z. The author introduces ICF, and then describes the theory, the design, and the calibration of the lead probe. Finally, she presents the results of the ICF experiments and explain the difficulties inherent in analyzing the data.
Saturn is a dual-purpose accelerator. It can be operated as a large-area flash x-ray source for simulation testing or as a Z-pinch driver especially for K-line x-ray production. In the first mode, the accelerator is fitted with three concentric-ring 2-MV electron diodes, while in the Z-pinch mode the current of all the modules is combined via a post-hole convolute arrangement and driven through a cylindrical array of very fine wires. We present here a point design for a new Saturn class driver based on a number of linear inductive voltage adders connected in parallel. A technology recently implemented at the Institute of High Current Electronics in Tomsk (Russia) is being utilized. In the present design we eliminate Marx generators and pulse-forming networks. Each inductive voltage adder cavity is directly fed by a number of fast 100-kV small-size capacitors arranged in a circular array around each accelerating gap. The number of capacitors connected in parallel to each cavity defines the total maximum current. By selecting low inductance switches, voltage pulses as short as 30-50-ns FWHM can be directly achieved. The voltage of each stage is low (100-200 kv). Many stages are required to achieve multi-megavolt accelerator output. However, since the length of each stage is very short (4-10 cm), accelerating gradients of higher than 1 MV/m can easily be obtained. The proposed new driver will be capable of delivering pulses of 15-MA, 36-TW, 1.2-MJ to the diode load, with a peak voltage of {minus}2.2 MV and FWHM of 40-ns. And although its performance will exceed the presently utilized driver, its size and cost could be much smaller ({approximately}1/3). In addition, no liquid dielectrics like oil or deionized water will be required. Even elimination of ferromagnetic material (by using air-core cavities) is a possibility.
This report describes the procedure and properties of the software upgrade for the Vibration Performance Recorder. The upgrade will check the 20 memory cards for proper read/write operation. The upgrade was successfully installed and uploaded into the Viper and the field laptop. The memory checking routine must run overnight to complete the test, although the laptop need only be connected to the Viper unit until the downloading routine is finished. The routine has limited ability to recognize incomplete or corrupt header and footer files. The routine requires 400 Megabytes of free hard disk space. There is one minor technical flaw detailed in the conclusion.
In order to exploit the information on surface wave propagation that is stored in large seismic event datasets, Sandia and Lawrence Livermore National Laboratories have developed a MatSeis interface for performing phase-matched filtering of Rayleigh arrivals. MatSeis is a Matlab-based seismic processing toolkit which provides graphical tools for analyzing seismic data from a network of stations. Tools are available for spectral and polarization measurements, as well as beam forming and f-k analysis with array data, to name just a few. Additionally, one has full access to the Matlab environment and any functions available there. Previously the authors reported the development of new MatSeis tools for calculating regional discrimination measurements. The first of these performs Lg coda analysis as developed by Mayeda and coworkers at Lawrence Livermore National Laboratory. A second tool measures regional phase amplitude ratios for an event and compares the results to ratios from known earthquakes and explosions. Release 1.5 of MatSeis includes the new interface for the analysis of surface wave arrivals. This effort involves the use of regionalized dispersion models from a repository of surface wave data and the construction of phase-matched filters to improve surface wave identification, detection, and magnitude calculation. The tool works as follows. First, a ray is traced from source to receiver through a user-defined grid containing different group velocity versus period values to determine the composite group velocity curve for the path. This curve is shown along with the upper and lower group velocity bounds for reference. Next, the curve is used to create a phase-matched filter, apply the filter, and show the resultant waveform. The application of the filter allows obscured Rayleigh arrivals to be more easily identified. Finally, after screening information outside the range of the phase-matched filter, an inverse version of the filter is applied to obtain a cleaned raw waveform which can be used for amplitude measurements. Because all the MatSeis tools have been written as Matlab functions, they can be easily modified to experiment with different processing details. The performance of the propagation models can be evaluated using any event available in the repository of surface wave events.
This is the author's third summer working at Sandia National Laboratories in organization 5712. He is a physics major at Reed College in Portland, Oregon. His work at Sandia began during his senior year at Eldorado High School, when he worked part time and received school credit for participating in the internship program. During that time and two ensuing summers he worked on a variety of projects. These experiences included testing a number of optical-electronic systems, performing such tasks as determining the spectral responsivity of photodiodes and placing optical/electronic systems in front of a variety of light-sources in order to generate calibration curves. He also contributed to the computer generation of data to model a hypothetical satellite-mounted detection system using SSGM (Synthetic Scene Generation Model) and the Khoros visual programming software Cantata on a UNIX operating system. Other experiences included pre-flight satellite testing, and work in the field deploying a suite of sensors and data collection equipment in Nevada. This summer he is involved in image analysis using the software development tools of the Khoros programming environment. He is working on a project whose goal is to identify superimposed spectra obtained from remote-sensing equipment. The spectra to be identified are those of chemical warfare agents and precursor chemicals from the industrial processes used to manufacture them. Identifying these spectra is a challenge when they are mixed with each other and with incident light from the ground and atmosphere--photons that are both reflected from the sun and emitted as blackbody radiation. In order to model this process, he is working on a Khoros program that will add noise to laboratory-obtained spectra from a variety of chemicals. This altered data will mimic what a remote sensing device is likely to record in the field. Given this example of likely field results, developing an ideal sensor and a method to identify spectra from such data will continue for a number of years.
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Computers transfer data in a number of different ways. Whether through a serial port, a parallel port, over a modem, over an ethernet cable, or internally from a hard disk to memory, some data will be lost. To compensate for that loss, numerous error detection and correction algorithms have been developed. One of the most common error correction codes is the Reed-Solomon code, which is a special subset of BCH (Bose-Chaudhuri-Hocquenghem) linear cyclic block codes. In the AURA project, an unmanned aircraft sends the data it collects back to earth so it can be analyzed during flight and possible flight modifications made. To counter possible data corruption during transmission, the data is encoded using a multi-block Reed-Solomon implementation with a possibly shortened final block. In order to maximize the amount of data transmitted, it was necessary to reduce the computation time of a Reed-Solomon encoding to three percent of the processor's time. To achieve such a reduction, many code optimization techniques were employed. This paper outlines the steps taken to reduce the processing time of a Reed-Solomon encoding and the insight into modern optimization techniques gained from the experience.
Fast Z-pinch technology developed on the Z machine at Sandia National Laboratories can produce up to 230 TW of thermal x-ray power for applications in inertial confinement fusion (ICF) and weapons physics experiments. During implosion, these Z-pinches develop Rayleigh-Taylor (R-T) instabilities which are very difficult to diagnose and which functionally diminish the overall pinch quality. The Power-Space-Time (PST) instrument is a newly configured diagnostic for measuring the pinch power as a function of both space and time in a Z-pinch. Placing the diagnostic at 90 degrees from the Z-pinch axis, the PST provides a new capability in collecting experimental data on R-T characteristics for making meaningful comparisons to magneto-hydrodynamic computer models. This paper is a summary of the PST diagnostic design. By slit-imaging the Z-pinch x-ray emissions onto a linear scintillator/fiber-optic array coupled to a streak camera system, the PST can achieve {approximately}100 {micro}m spatial resolution and {approximately}1.3 ns time resolution. Calculations indicate that a 20 {micro}m thick scintillating detection element filtered by 1,000 {angstrom} of Al is theoretically linear in response to Plankian x-ray distributions corresponding to plasma temperatures from 40 eV to 150 eV, By calibrating this detection element to x-ray energies up to 5,000 eV, the PST can provide pinch power as a function of height and time in a Z-pinch for temperatures ranging from {approximately}40 eV to {approximately}400 eV. With these system pm-meters, the PST can provide data for an experimental determination of the R-T mode number, amplitude, and growth rate during the late-time pinch implosion.
A performance evaluation of several computers was necessary, so an evaluation program, or benchmark, was run on each computer to determine maximum possible performance. The program was used to test the Computer Aided Drafting (CAD) ability of each computer by monitoring the speed with which several functions were executed. The main objective of the benchmarking program was to record assembly loading times and image regeneration times and then compile a composite score that could be compared with the same tests on other computers. The three computers that were tested were the Compaq AP550, the SGI 230, and the Hewlett-PackardP750C. The Compaq and SGI computers each had a Pentium III 733mhz processor, while the Hewlett-Packard had a Pentium III 750mhz processor. The size and speed of Random Access Memory (RAM) in each computer varied, as did the type of graphics card. Each computer that was tested was using Windows NT 4.0 and Pro/ENGINEER{trademark} 2000i CAD benchmark software provided by Standard Performance Evaluation Corporation (SPEC). The benchmarking program came with its own assembly, automatically loaded and ran tests on the assembly, then compiled the time each test took to complete. Due to the automation of the tests, any sort of user error affecting test scores was virtually eliminated. After all the tests were completed, scores were then compiled and compared. The Silicon Graphics 230 was by far the overall winner with a composite score of 8.57. The Compaq AP550 was next with a score of 5.19, while the Hewlett-Packard P750C performed dismally, achieving a score of 3.34. Several factors, including motherboard chipset, graphics card, and the size and speed of RAM, were involved in the differing scores of the three machines. Surprisingly the Hewlett-Packard, which had the fastest processor, came back with the lowest score. The above factors most likely contributed to the poor performance of the Hewlett-Packard. Based on the results of the benchmark test, the SGI 230 appears to be the best CAD software solution. The Hewlett-Packard most likely performed poorly due to the fact that it was only running a 100mhz Front Side Bus (FSB), while the SGI machine was running at a 133mhz. The Compaq was using a new type of RAM called RDRAM. While this RAM was at first perceived to be a great performer, various benchmarks, including this one, have found that the computers using RDRAM really only achieve average performance.
Event catalogs for seismic data can become very large. Furthermore, as researchers collect multiple catalogs and reconcile them into a single catalog that is stored in a relational database, the reconciled set becomes even larger. The sheer number of these events makes searching for relevant events to compare with events of interest problematic. Information overload in this form can lead to the data sets being under-utilized and/or used incorrectly or inconsistently. Thus, efforts have been initiated to research techniques and strategies for helping researchers to make better use of large data sets. In this paper, the authors present their efforts to do so in two ways: (1) the Event Search Engine, which is a waveform correlation tool and (2) some content analysis tools, which area combination of custom-built and commercial off-the-shelf tools for accessing, managing, and querying seismic data stored in a relational database. The current Event Search Engine is based on a hierarchical clustering tool known as the dendrogram tool, which is written as a MatSeis graphical user interface. The dendrogram tool allows the user to build dendrogram diagrams for a set of waveforms by controlling phase windowing, down-sampling, filtering, enveloping, and the clustering method (e.g. single linkage, complete linkage, flexible method). It also allows the clustering to be based on two or more stations simultaneously, which is important to bridge gaps in the sparsely recorded event sets anticipated in such a large reconciled event set. Current efforts are focusing on tools to help the researcher winnow the clusters defined using the dendrogram tool down to the minimum optimal identification set. This will become critical as the number of reference events in the reconciled event set continually grows. The dendrogram tool is part of the MatSeis analysis package, which is available on the Nuclear Explosion Monitoring Research and Engineering Program Web Site. As part of the research into how to winnow the reference events in these large reconciled event sets, additional database query approaches have been developed to provide windows into these datasets. These custom built content analysis tools help identify dataset characteristics that can potentially aid in providing a basis for comparing similar reference events in these large reconciled event sets. Once these characteristics can be identified, algorithms can be developed to create and add to the reduced set of events used by the Event Search Engine. These content analysis tools have already been useful in providing information on station coverage of the referenced events and basic statistical, information on events in the research datasets. The tools can also provide researchers with a quick way to find interesting and useful events within the research datasets. The tools could also be used as a means to review reference event datasets as part of a dataset delivery verification process. There has also been an effort to explore the usefulness of commercially available web-based software to help with this problem. The advantages of using off-the-shelf software applications, such as Oracle's WebDB, to manipulate, customize and manage research data are being investigated. These types of applications are being examined to provide access to large integrated data sets for regional seismic research in Asia. All of these software tools would provide the researcher with unprecedented power without having to learn the intricacies and complexities of relational database systems.
The Federal Aviation Administration Airworthiness Assurance NDI Validation Center currently assesses the capability of various non-destructive inspection (NDI) methods used for analyzing aircraft components. The focus of one such exercise is to evaluate the sensitivity of fluorescent liquid penetrant inspection. A baseline procedure using the water-washable fluorescent penetrant method defines a foundation for comparing the brightness of low cycle fatigue cracks in titanium test panels. The analysis of deviations in the baseline procedure will determine an acceptable range of operation for the steps in the inspection process. The data also gives insight into the depth of each crack and which step(s) of the inspection process most affect penetrant sensitivities. A set of six low cycle fatigue cracks produced in 6.35-mm thick Ti-6Al-4V specimens was used to conduct the experiments to produce sensitivity data. The results will document the consistency of the crack readings and compare previous experiments to find the best parameters for water-washable penetrant.
This report provides (1) an overview of all tracer testing conducted in the Culebra Dolomite Member of the Rustler Formation at the Waste Isolation Pilot Plant (WPP) site, (2) a detailed description of the important information about the 1995-96 tracer tests and the current interpretations of the data, and (3) a summary of the knowledge gained to date through tracer testing in the Culebra. Tracer tests have been used to identify transport processes occurring within the Culebra and quantify relevant parameters for use in performance assessment of the WIPP. The data, especially those from the tests performed in 1995-96, provide valuable insight into transport processes within the Culebra. Interpretations of the tracer tests in combination with geologic information, hydraulic-test information, and laboratory studies have resulted in a greatly improved conceptual model of transport processes within the Culebra. At locations where the transmissivity of the Culebra is low (< 4 x 10{sup -6} m{sup 2}/s), we conceptualize the Culebra as a single-porosity medium in which advection occurs largely through the primary porosity of the dolomite matrix. At locations where the transmissivity of the Culebra is high (> 4 x 10{sup -6} m{sup 2}/s), we conceptualize the Culebra as a heterogeneous, layered, fractured medium in which advection occurs largely through fractures and solutes diffuse between fractures and matrix at multiple rates. The variations in diffusion rate can be attributed to both variations in fracture spacing (or the spacing of advective pathways) and matrix heterogeneity. Flow and transport appear to be concentrated in the lower Culebra. At all locations, diffusion is the dominant transport process in the portions of the matrix that tracer does not access by flow.
Abstract not provided.
The Transportation Surety Center, 6300, has been conducting continuing research into and development of information systems for the Configurable Transportation Security and Information Management System (CTSS) project, an Object-Oriented Framework approach that uses Component-Based Software Development to facilitate rapid deployment of new systems while improving software cost containment, development reliability, compatibility, and extensibility. The direction has been to develop a Fleet Management System (FMS) framework using object-oriented technology. The goal for the current development is to provide a software and hardware environment that will demonstrate and support object-oriented development commonly in the FMS Central Command Center and Vehicle domains.
American Chemical Society, Polymer Preprints, Division of Polymer Chemistry
High-quality ultrathin poly(diacetylene) (PDA) films were produced by using a horizontal Langmuir deposition technique. The resultant films exhibit strong friction anisotropy that is correlated with the direction of the polymer backbone structure. Shear forces applied by atomic force microscopy (AFM) or near field scanning optical microscope (NSOM) tips locally induced the blue-to-red chromatic transition in the PDA films.
American Chemical Society, Polymer Preprints, Division of Polymer Chemistry
Interfacial Force Microscopy (IFM) is a scanning probe technique that employs a force-feedback sensor concept. This article discusses a few examples of IFM applications to polymer surfaces. Through these examples, the ability of IFM to obtain quantitative information on interfacial forces on a controllable manner is demonstrated.
Abstract not provided.
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This report focuses on Sandia National Laboratories' effort to create high-temperature logging tools for geothermal applications without the need for heat shielding. One of the mechanisms for failure in conventional downhole tools is temperature. They can only survive a limited number of hours in high temperature environments. For the first time since the evolution of integrated circuits, components are now commercially available that are qualified to 225 C with many continuing to work up to 300 C. These components are primarily based on Silicon-On-Insulator (SOI) technology. Sandia has developed and tested a simple data logger based on this technology that operates up to 300 C with a few limiting components operating to only 250 C without thermal protection. An actual well log to 240 C without shielding is discussed. The first prototype high-temperature tool measures pressure and temperature using a wire-line for power and communication. The tool is based around the HT83C51 microcontroller. A brief discussion of the background and status of the High Temperature Instrumentation program at Sandia, objectives, data logger development, and future project plans are given.
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Combinatorial Chemistry is a powerful new technology in drug design and molecular recognition. It is a wet-laboratory methodology aimed at ``massively parallel'' screening of chemical compounds for the discovery of compounds that have a certain biological activity. The power of the method comes from the interaction between experimental design and computational modeling. Principles of ``rational'' drug design are used in the construction of combinatorial libraries to speed up the discovery of lead compounds with the desired biological activity. This paper presents algorithms, software development and computational complexity analysis for problems arising in the design of combinatorial libraries for drug discovery. The authors provide exact polynomial time algorithms and intractability results for several Inverse Problems-formulated as (chemical) graph reconstruction problems-related to the design of combinatorial libraries. These are the first rigorous algorithmic results in the literature. The authors also present results provided by the combinatorial chemistry software package OCOTILLO for combinatorial peptide design using real data libraries. The package provides exact solutions for general inverse problems based on shortest-path topological indices. The results are superior both in accuracy and computing time to the best software reports published in the literature. For 5-peptoid design, the computation is rigorously reduced to an exhaustive search of about 2% of the search space; the exact solutions are found in a few minutes.
The design of field emission displays is severely constrained by the universally poor cathodoluminescence (CL) efficiency of most phosphors at low excitation energies. As part of the effort to understand this phenomenon, the authors have measured the time decay of spectrally-resolved, pulsed CL and photoluminescence (PL) in several phosphors activated by rare earth and transition metal impurities, including Y{sub 2}O{sub 3}:Eu, Y{sub 2}SiO{sub 5}:Tb, and Zn{sub 2}SiO{sub 4}:Mn. Activator concentrations ranged from {approximately}0.25 to 10%. The CL decay curves are always non-linear on a log(CL)-linear(time) plot--i.e. they deviate from first order decay kinetics. These deviations are always more pronounced at short times and larger activator concentrations and are largest at low beam energies where the decay rates are noticeably faster. PL decay is always slower than that seen for CL, but these differences disappear after most of the excited species have decayed. They have also measured the dependence of steady state CL efficiency on beam energy. They find that larger activator concentrations accelerate the drop in CL efficiency seen at low beam energies. These effects are largest for the activators which interact more strongly with the host lattice. While activator-activator interactions are known to limit PL and CL efficiency in most phosphors, the present data suggest that a more insidious version of this mechanism is partly responsible for poor CL efficiency at low beam energies. This enhanced concentration quenching is due to the interaction of nearby excited activators. These interactions can lead to non-radiative activator decay, hence lower steady state CL efficiency. Excited state clustering, which may be caused by the large energy loss rate of low energy primary electrons, appears to enhance these interactions. In support of this idea, they find that PL decays obtained at high laser pulse energies resemble the non-linear decays seen in the CL data.
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Physical Review Journal
Studies of the influences of temperature, hydrostatic pressure, dc biasing field and frequency on the dielectric constant ({epsilon}{prime}) and loss (tan {delta}) of single crystal [pb (Zn{sub 1/3}Nb{sub 2/3})O{sub 3}]{sub 0.905} (PbTiO{sub 3}){sub 0.095}, or PZN-9.5PT for short, have provided a detailed view of the ferroelectric (FE) response and phase transitions of this technologically important material. While at 1 bar, the crystal exhibits on cooling a cubic-to-tetragonal FE transition followed by a second transition to a rhombohedral phase, pressure induces a FE-to-relaxer crossover, the relaxer phase becoming the ground state at pressures {ge}5 kbar. Analogy with earlier results suggests that this crossover is a common feature of compositionally-disordered soft mode ferroelectrics and can be understood in terms of a decrease in the correlation length among polar domains with increasing pressure. Application of a dc biasing electric field at 1 bar strengthens FE correlations, and can at high pressure re-stabilize the FE response. The pressure-temperature-electric field phase diagram was established. In the absence of dc bias the tetragonal phase vanishes at high pressure, the crystal exhibiting classic relaxor behavior. The dynamics of dipolar motion and the strong deviation from Curie-Weiss behavior of the susceptibility in the high temperature cubic phase are discussed.
IEEE Transactions on Nuclear Science (Dec. 2000)
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Journal of Radiation Effects, Research and Engineering
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International Journal for Numerical Methods in Engineering
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IEEE Transactions on Nuclear Science
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Abstract not provided.
The authors demonstrate, for the first time, both functional Pnp AlGaAs/InGaAsN/GaAs (Pnp InGaAsN) and Npn InGaP/InGaAsN/GaAs (Npn InGaAsN) double heterojunction bipolar transistors (DHBTs) using a 1.2 eV In{sub 0.03}Ga{sub 0.97}As{sub 0.99}N{sub 0.01} as the base layer for low-power electronic applications. The Pnp InGaAsN DHBT has a peak current gain ({beta}) of 25 and a low turn-on voltage (V{sub ON}) of 0.79 V. This low V{sub ON} is {approximately} 0.25 V lower than in a comparable Pnp AlGAAs/GaAs HBT. For the Npn InGaAsN DHBT, it has a low V{sub ON} of 0.81 V, which is 0.13 V lower than in an InGaP/GaAs HBT. A peak {beta} of 7 with nearly ideal I-V characteristics has been demonstrated. Since GaAs is used as the collector of both Npn and Pnp InGaAsN DHBTs, the emitter-collector breakdown voltage (BV{sub CEO}) are 10 and 12 V, respectively, consistent with the BV{sub CEO} of Npn InGaP/GaAs and Pnp AlGaAs/GaAs HBTs of comparable collector thickness and doping level. All these results demonstrate the potential of InGaAsN DHBTs as an alternative for application in low-power electronics.
The authors have demonstrated an aluminum-free P-n-P GaAs/InGaAsN/GaAs double heterojunction bipolar transistor (DHBT). The device has a low turn-on voltage (V{sub ON}) that is 0.27 V lower than in a comparable P-n-p AlGaAs/GaAs HBT. The device shows near-ideal D. C. characteristics with a current gain ({beta}) greater than 45. The high-speed performance of the device are comparable to a similar P-n-p AlGaAs/GaAs HBT, with f{sub T} and f{sub MAX} values of 12 GHz and 10 GHz, respectively. This device is very suitable for low-power complementary HBT circuit applications, while the aluminum-free emitter structure eliminates issues typically associated with AlGaAs.
Throughout the construction and operation of the caverns of the Strategic Petroleum Reserve (SPR), three types of cavern volume measurements have been maintained. These are: (1) the calculated solution volume determined during initial construction by solution mining and any subsequent solutioning during oil transfers, (2) the calculated sonar volume determined through sonar surveys of the cavern dimensions, and (3) the direct metering of oil to determine the volume of the cavern occupied by the oil. The objective of this study is to compare these measurements to each other and determine, if possible, the uncertainties associated with a given type of measurement. Over time, each type of measurement has acquired a customary, or an industry accepted, stated uncertainty. This uncertainty is not necessarily the result of a technical analysis. Ultimately there is one definitive quantity, the oil volume measure by the oil custody transfer meters, taken by all parties to the transfer as the correct ledger amount and for which the SPR Project is accountable. However, subsequent transfers within a site may not be with meters of the same accuracy. In this study, a very simple theory of the perfect relationship is used to evaluate the correlation (deviation) of the various measures. This theory permits separation of uncertainty and bias. Each of the four SPR sites are examined, first with comparisons between the calculated solution volumes and the sonar volumes determined during construction, then with comparisons of the oil inventories and the sonar volumes obtained either by surveying through brine prior to oil filling or through the oil directly.
Portions of the SmartSampling{trademark} analysis methodology have been applied to the evaluation of radioactive contaminated landscape soils at Brookhaven National Laboratory. Specifically, the spatial, volumetric distribution of cesium-137 ({sup 137}Cs) contamination within Area of Concern 16E-1 has been modeled probabilistically using a geostatistical methodology, with the purpose of identifying the likelihood of successfully reducing, with respect to a pre-existing, baseline remediation plan, the volume of soil that must be disposed of offsite during clean-up. The principal objective of the analysis was to evaluate the likelihood of successful deployment of the Segmented Gate System (SGS), a novel remediation approach that emphasizes real-time separation of clean from contaminated materials during remediation operations. One primary requirement for successful application of the segmented gate technology investigated is that a variety of contaminant levels exist at the deployment site, which would enable to the SGS to discriminate material above and below a specified remediation threshold value. The results of this analysis indicate that there is potential for significant volume reduction with respect to the baseline remediation plan at a threshold excavation level of 23 pCi/g {sup 137}Cs. A reduction of approximately 50%, from a baseline volume of approximately 1,064.7 yd{sup 3} to less than 550 yd{sup 3}, is possible with acceptance of only a very small level of engineering risk. The vast majority of this volume reduction is obtained by not excavating almost all of levels 3 and 4 (from 12 to 24 inches in depth), which appear to be virtually uncontaminated, based on the available data. Additional volume reductions related to soil materials on levels 1 (depths of 0--6 inches) and 2 (6--12 inches) may be possible, specifically through use of the SGS technology. Level-by-level evaluation of simulation results suggests that as much as 26 percent of level 1 and as much as 65% of level 2 soils may actually be uncontaminated. Additionally, numerical experiments have been conducted to investigate the effects of selective excavation on the volume and average activity of the remediated materials. These numerical experiments indicate that nonselective excavation may result in mixing of contaminated and uncontaminated materials such that the total volume of material above the threshold excavation level of 23 pCi/g may exceed the baseline volume, thus defeating volume-reduction efforts.
Abstract not provided.
Abstract not provided.
Applied Physics Letters
The density of threading dislocations (TD) in GaN grown directly on flat sapphire substrates is typically greater than 10{sup 9}/cm{sup 2}. Such high dislocation densities degrade both the electronic and photonic properties of the material. The density of dislocations can be decreased by orders of magnitude using cantilever epitaxy (CE), which employs prepatterned sapphire substrates to provide reduced-dimension mesa regions for nucleation and etched trenches between them for suspended lateral growth of GaN or AlGaN. The substrate is prepatterned with narrow lines and etched to a depth that permits coalescence of laterally growing III-N nucleated on the mesa surfaces before vertical growth fills the etched trench. Low dislocation densities typical of epitaxial lateral overgrowth (ELO) are obtained in the cantilever regions and the TD density is also reduced up to 1 micrometer from the edge of the support regions.
Sandia National Laboratories has continued to evaluate the performance of infrasound sensors that are candidates for use by the International Monitoring System (IMS) for the Comprehensive Nuclear-Test-Ban Treaty Organization. The performance criteria against which these sensors are assessed are specified in ``Operational Manual for Infra-sound Monitoring and the International Exchange of Infrasound Data''. This presentation includes the results of efforts concerning two of these sensors: (1) Chaparral Physics Model 5; and (2) CEA MB2000. Sandia is working with Chaparral Physics in order to improve the capability of the Model 5 (a prototype sensor) to be calibrated and evaluated. With the assistance of the Scripps Institution of Oceanography, Sandia is also conducting tests to evaluate the performance of the CEA MB2000. Sensor models based on theoretical transfer functions and manufacturer specifications for these two devices have been developed. This presentation will feature the results of coherence-based data analysis of signals from a huddle test, utilizing several sensors of both types, in order to verify the sensor performance.
All stations planned for the International Monitoring System (IMS) must be certified by the Provisional Technical Secretariat (PTS) prior to acceptance to ensure that the monitoring stations initially meet the required specifications. Working Group B of the Preparatory Commission for the Comprehensive Nuclear-Test-Ban Treaty has established requirements for the quality, availability, and surety of data received at the International Data Centre (IDC). These requirements are verified by the PTS during a 3-component process that includes initial station assessment, testing and evaluation, and certification. Sandia National Laboratories has developed procedures, facilities, and tools that can be used to assist in evaluating IMS stations for compliance with certification requirements. System evaluation includes station design reviews, component testing, and operational testing of station equipment. Station design is evaluated for security and reliability considerations, and to ensure that operational procedures and documentation are adequate. Components of the station are tested for compliance with technical specifications, such as timing and noise levels of sampled data, and monitoring of tamper detection equipment. Data sent from the station in an IMS-standard format (CD-1 or IMS-1) are analyzed for compliance with the specified protocol and to ensure that the station data (sensor and state-of-health) are accurately transmitted. Data availability and authentication statistics are compiled and examined for problems.
For the WIPP, chemical and physical characteristics of MgO suggest it to be the most beneficial backfill choice, particularly because it has the ability to buffer the aqueous chemical conditions to control actinide volubility. In the current experimental program, the authors are developing a technical basis for taking credit for the complete set of attributes of MgO in geochemical, hydrogeological, and geomechanical technical areas, resulting in an improved conceptual model for the WIPP such as the following. Water uptake by MgO will delay the development of mobile actinides and gas generation by microbes and corrosion. Reduced gas generation will reduce or even eliminate spallings releases. As MgO hydrates, it swells, reducing porosity and permeability, which will inhibit gas flow in the repository, in turn reducing spallings releases. Hydration will also result in a self-sealing mechanism by which water uptake and swelling of MgO adjacent to a groundwater seep cuts off further seepage. Reaction with some groundwaters will produce cementitious materials, which will help to cement waste particles or produce a cohesive solid mass. Larger particles are less likely to be entrained in a spallings release. If sufficient water eventually accumulates in a repository to support microbial gas generation, magnesium carbonate cements will form; also producing good cohesion and strength.
The Nonproliferation Review
The aim of this paper is to understand the numerous nuclear-related agreements that involve India and Pakistan, and in so doing identify starting points for future confidence-creating and confidence-building projects. Existing nuclear-related agreements provide a framework under which various projects can be proposed that foster greater nuclear transparency and cooperation in South Asia. The basic assumptions and arguments underlying this paper can be summarized as follows: (1) Increased nuclear transparency between India and Pakistan is a worthwhile objective, as it will lead to the irreversibility of extant nuclear agreements, the prospects of future agreements; and the balance of opacity and transparency required for stability in times of crises; (2) Given the current state of Indian and Pakistani relations, incremental progress in increased nuclear transparency is the most likely future outcome; and (3) Incremental progress can be achieved by enhancing the information exchange required by existing nuclear-related agreements.
Abstract not provided.
Abstract not provided.
Numerical Heat Transfer, Part B
A gridless technique for the solution of the integral form of the radiative heat flux equation for emitting and absorbing media is presented. Treatment of non-uniform absorptivity and gray boundaries is included. As part of this work, the authors have developed fast multipole techniques for extracting radiative heat flux quantities from the temperature fields of one-dimensional and three-dimensional geometries. Example calculations include those for one-dimensional radiative heat transfer through multiple flame sheets, a three-dimensional enclosure with black walls, and an axisymmetric enclosure with black walls.
Journal of the Optical Society of America B
Abstract not provided.
Inorganic Chemistry
[Tl(OCH{sub 2}CH{sub 3})]{sub 4}, (1) was reacted with excess HOR to prepare a series of [Tl(OR)]{sub n} where OR= OCHMe{sub 2} (2, n = 4), OCMe{sub 3} (3, n = 4), OCH{sub 2}CMe{sub 3} (4, n = 4), OC{sub 6}H{sub 3}(Me){sub 2}-2,6 (5, n = {infinity}), and OC{sub 6}H{sub 3}(Pr{sup i}){sub 2}-2,6 (6, n = {infinity}). Single crystal X-ray diffraction was used to determine the structure of compounds ligated by more sterically demanding ligands. Compound 4 was found to adopt a cubane structure, while 5 and 6 formed linear polymeric structures. These compounds were additionally characterized by {sup 203,205}Tl solution and {sup 205}Tl solid state NMR. Compounds 1--4 were found to remain intact in solution while the polymeric species, 5 and 6, appeared to be fluxional. While variations in the solution and solid state structures for the tetrameric [Tl(OR)]{sub 4} and polymeric [Tl(OAr)]{sub {infinity}} may be influenced by the steric hindrance of their respective ligands, the covalency of the species is believed to be more an effect of the parent alcohol acidity.
Journal of Precision Engineering
This paper presents techniques for fabricating microscopic, curvilinear features in a variety of workpiece materials. Micro-grooving and micro-threading tools having cutting widths as small as 13 {micro}m are made by focused ion beam sputtering and used for ultra-precision machining. Tool fabrication involves directing a 20 keV gallium beam at polished cylindrical punches made of cobalt M42 high-speed steel or C2 tungsten carbide to create a number of critically aligned facets. Sputtering produces rake facets of desired angle and cutting edges having radii of curvature equal to 0.4 {micro}m. Clearance for minimizing frictional drag of a tool results from a particular ion beam/target geometry that accounts for the sputter yield dependence on incidence angle. It is believed that geometrically specific cutting tools of this dimension have not been made previously. Numerically controlled, ultra-precision machining with micro-grooving tools results in a close match between tool width and feature size. Microtools are used to machine 13 {micro}m wide, 4 {micro}m deep, helical grooves in polymethyl methacrylate and 6061 Al cylindrical workplaces. Micro-grooving tools are also used to fabricate sinusoidal cross-section features in planar metal samples.
Journal of Non-Crystalline Solids
The thermal stability of photo-imprinted Bragg gratings formed in reactive-atmosphere, RF-magnetron sputtered germanosilicate thin films was evaluated in terms of point defect modifications observed during isochronal annealing. Optical and magnetic spectroscopes were utilized to evaluate structural relaxation in these sputtered glasses on both a local and medium-range size scale. Depending upon the substrate temperature used during deposition, significant structural rearrangement was found to occur with increasing post-deposition anneal temperature to 600 C. This resulted in changes in the photobleaching response of the material itself as the identity of optically active structural defects evolved. Based on a color center model for photosensitivity in these materials and measured changes in optical absorption with annealing, the thermal stability of a photo-imprinted Bragg grating was modeled. Good qualitative agreement with experiment was observed.
Granular Matters
Simulations of granular packings in 2-D by throwing disks in a rectangular die are performed. Different size distributions as bimodal, uniform and gaussian are used. Once the array of particles is done, a relaxation process is carried on using a large-amplitude, low-frequency vertical shaking. This relaxation is performed a number N of times. Then, the authors measure the density of the package, contact distribution, coordination number distribution, entropy and also the disks size distribution vs. height. The dependence of all these magnitudes on the number N of shakings used to relax the packing and on the size distribution parameters are explored and discussed.
Welding Journal Research Supplement
The weld solidification and cracking behavior of sulfur bearing free machining austenitic stainless steel was investigated for both gas-tungsten arc (GTA) and pulsed laser beam weld processes. The GTA weld solidification was consistent with those predicted with existing solidification diagrams and the cracking response was controlled primarily by solidification mode. The solidification behavior of the pulsed laser welds was complex, and often contained regions of primary ferrite and primary austenite solidification, although in all cases the welds were found to be completely austenite at room temperature. Electron backscattered diffraction (EBSD) pattern analysis indicated that the nature of the base metal at the time of solidification plays a primary role in initial solidification. The solid state transformation of austenite to ferrite at the fusion zone boundary, and ferrite to austenite on cooling may both be massive in nature. A range of alloy compositions that exhibited good resistance to solidification cracking and was compatible with both welding processes was identified. The compositional range is bounded by laser weldability at lower Cr{sub eq}/Ni{sub eq} ratios and by the GTA weldability at higher ratios. It was found with both processes that the limiting ratios were somewhat dependent upon sulfur content.
This document highlights the Discom{sup 2}'s Distance computing and communication team activities at the 1999 Supercomputing conference in Portland, Oregon. This conference is sponsored by the IEEE and ACM. Sandia, Lawrence Livermore and Los Alamos National laboratories have participated in this conference for eleven years. For the last four years the three laboratories have come together at the conference under the DOE's ASCI, Accelerated Strategic Computing Initiatives rubric. Communication support for the ASCI exhibit is provided by the ASCI DISCOM{sup 2} project. The DISCOM{sup 2} communication team uses this forum to demonstrate and focus communication and networking developments within the community. At SC 99, DISCOM built a prototype of the next generation ASCI network demonstrated remote clustering techniques, demonstrated the capabilities of the emerging Terabit Routers products, demonstrated the latest technologies for delivering visualization data to the scientific users, and demonstrated the latest in encryption methods including IP VPN technologies and ATM encryption research. The authors also coordinated the other production networking activities within the booth and between their demonstration partners on the exhibit floor. This paper documents those accomplishments, discusses the details of their implementation, and describes how these demonstrations support Sandia's overall strategies in ASCI networking.
Journal of Applied Polymer Science
A hydroxy-terminated polybutadiene (HTPB)/isophorone diisocyanate (IPDI) elastomer is commonly used as propellant binder material. The thermal degradation of the binder is believed to be an important parameter governing the performance of the propellant. The aging of these binders can be monitored by mechanical property measurements such as modulus or tensile elongation. These techniques, however, are not easily adapted to binder agents that are dispersed throughout a propellant. In this paper the authors investigated solid state NMR relaxation times as a means to predict the mechanical properties of the binder as a function of aging time. {sup 1}H spin-lattice and spin-spin relaxation times were found to be insensitive to the degree of thermal degradation of the elastomer. Apparently these relaxation times depend on localized motions that are only weakly correlated with mechanical properties. A strong correlation was found between the {sup 13}C cross-polarization (CP) NMR time constant, T{sub cp}, and the tensile elongation at break of the elastomer as a function of aging time. A ramped-amplitude CP experiment was shown to be less sensitive to imperfections in setting critical instrumental parameters for this mobile material.
Science
The authors carry out a comparative study of the energetic and dynamics of Si-Si, Ge-Ge, and Ge-Si ad-dimers on top of a dimer row in the Si(001) surface, using first-principles calculations. The dynamic appearance of a Ge-Si dimer is distinctively different from that of a Si-Si or Ge-Ge dimer, providing a unique way for its identification by scanning tunneling microscopy (STM). Its rocking motion, observed in STM, actually reflects a 180{degree} rotation of the dimer, involving a piecewise-rotation mechanism. The calculated energy barrier of 0.74 eV is in good agreement with the experimental value of 0.82 eV.
For many scientific and programmatic applications, it is necessary to determine the shock compression response of materials to several tens of Mbar. In addition, a complete EOS is often needed in these applications, which requires that shock data be supplemented with other information, such as temperature measurements or by EOS data off the principal Hugoniot. Recent developments in the use of fast pulsed power techniques for EOS studies have been useful in achieving these goals. In particular, the Z accelerator at Sandia National Laboratories, which develops over 20 million amperes of current in 100-200 ns, can be used to produce muM-Mbar shock pressures and to obtain continuous compression data to pressures exceeding 1 Mbar. With this technique, isentropic compression data have been obtained on several materials to pressures of several hundred kbar. The technique has also been used to launch ultra-high velocity flyer plates to a maximum velocity of 14 km/s, which can be used to produce impact pressures of several Mbar in low impedance materials and over 10 Mbar in high impedance materials. The paper will review developments in both of these areas.
The Astrophysical Journal
Terrestrial climate records and historical observations of the Sun suggest that the Sun undergoes aperiodic oscillations in radiative output and size over time periods of centuries and millenia. Such behavior can be explained by the solar convective zone acting as a nonlinear oscillator, forced at the sunspot-cycle frequency by variations in heliomagnetic field strength. A forced variant of the Lorenz equations can generate a time series with the same characteristics as the solar and climate records. The timescales and magnitudes of oscillations that could be caused by this mechanism are consistent with what is known about the Sun and terrestrial climate.
Pulsed power science and engineering activities at Sandia National Laboratories grew out of a programmatic need for intense radiation sources to advance capabilities in radiographic imaging and to create environments for testing and certifying the hardness of components and systems to radiation in hostile environments. By the early 1970s, scientists in laboratories around the world began utilizing pulsed power drivers with very short (10s of nanoseconds) pulse lengths for Inertial Confinement Fusion (ICF) experiments. In the United States, Defense Programs within the Department of Energy has sponsored this research. Recent progress in pulsed power, specifically fast-pulsed-power-driven z pinches, in creating temperatures relevant to ICF has been remarkable. Worldwide developments in pulsed power technologies and increased applications in both defense and industry are contrasted with ever increasing stress on research and development tiding. The current environment has prompted us at Sandia to evaluate our role in the continued development of pulsed power science and to consider options for the future. This presentation will highlight our recent progress and provide an overview of our plans as we begin the new millennium.
Abstract not provided.
Abstract not provided.
Abstract not provided.
Abstract not provided.
Journal of Physics B
Stable self-channeling of ultra-powerful (P{sub 0} - 1 TW -1 PW) laser pulses in dense plasmas is a key process for many applications requiring the controlled compression of power at high levels. Theoretical computations predict that the transition zone between the stable and highly unstable regimes of relativistic/charge-displacement self-channeling is well characterized by a form of weakly unstable behavior that involves bifurcation of the propagating energy into two powerful channels. Recent observations of channel instability with femtosecond 248 nm pulses reveal a mode of bifurcation that corresponds well to these theoretical predictions. It is further experimentally shown that the use of a suitable longitudinal gradient in the plasma density can eliminate this unstable behavior and restore the efficient formation of stable channels.
Physical Review B
The most conspicuous feature of boron carbides' electronic transport properties is their having both high carrier densities and large Seebeck coefficients. The magnitudes and temperature dependencies of the Seebeck coefficients are consistent with large contributions from softening bipolarons: singlet bipolarons whose stabilization is significantly affected by their softening of local vibrations. Boron carbides' high carrier densities, small activation energies for hopping ({approx} 0.16 eV), and anomalously large Seebeck coefficients combine with their low, glass-like thermal conductivities to make them unexpectedly efficient high-temperature thermoelectrics.
Journal of Colloid and Interface Science
Abstract not provided.
Physical Review B
Ab-initio formation energies for (100)- and (111)-microfacet steps on Pb(111) are in satisfactory agreement with measured values, given that these values are known only as well as the Pb(111) surface energy; the calculated step-energy ratio, 1.29, is within {approximately}8% of experiment. In contrast, calculated kink-formation energies, 41 and 60 meV for the two step types, are 40--50% below published experimental values derived from STM images. The discrepancy results from interpreting the images with a step-stiffness vs. kink-energy relation appropriate to (100) but not (111) surfaces. Good agreement is found when the step-stiffness data are reinterpreted, taking proper account of the trigonal symmetry of Pb(111).
Topics in Catalysis
The intrinsic chirality of metal surfaces with kinked steps (e.g. Pt(643)) endows them with enantiospecific adsorption properties (D. S. Shell, Langmuir, 14, 1998, 862). To understand these properties quantitatively the impact of thermally-driven step wandering must be assessed. The authors derive a lattice-gas model of step motion on Pt(111) surfaces using diffusion barriers from Density Functional Theory. This model is used to examine thermal fluctuations of straight and kinked steps.
Tribology Letters
Using interracial force microscopy (IFM), the tribological properties of self-assembled monolayer (SAM) on Si surfaces produced by a new chemical strategy are investigated and compared to those of classical SAM systems, which include alkanethiols on Au and alkylsilanes on SiO{sub x}. The new SAM films are prepared by depositing n-alkyl chains with OH-terminations onto Cl-terminated Si substrates. The chemical nature of the actual lubricating molecules, n-dodecyl, is kept constant in all three thin film systems for direct comparison and similarities and differences in tribological properties are observed. The adhesion strength is virtually identical for all three systems; however, frictional properties differ due to differences in film packing. Differences in the chemical bonds that attach the lubricant molecules to the substrate are also discussed as they influence variations in film wear and durability. It is demonstrated that the new SAM films are capable of controlling the friction and adhesion of Si surfaces as well as the classical SAMs in addition to providing a greater potential to be more reproducible and more durable.
Applied Physics Letters
The authors report a monolithic coupled-resonator vertical-cavity laser with an ion-implanted top cavity and a selectively oxidized bottom cavity which exhibits bistable behavior in the light output versus injection current. Large bistability regions over current ranges as wide as 18 mA have been observed with on/off contrast ratios of greater than 20 dB. The position and width of the bistability region can be varied by changing the bias to the top cavity. Switching between on and off states can be accomplished with changes as small as 250 {micro}W to the electrical power applied to the top cavity. Theoretical analysis suggests that the bistable behavior is the response of the nonlinear susceptibility in the top cavity to the changes in the bottom intracavity laser intensity as the bottom cavity reaches the thermal rollover point.
Applied Chemistry
Abstract not provided.
The authors have discussed the three factors that they believe are the most important in determining the difficulty of a beam shaping problem: scaling, smoothness, and coherence. The arguments have been almost completely based on considering how these factors influence beam shaping lenses that were designed using geometrical optics. However, they believe that these factors control the difficulty of beam shaping problems even if one does not base ones design strategy on geometrical optics. For example, they have shown that a lens designed using geometrical optics will not work well unless {beta} is large. However, they have also shown that if {beta} is small the uncertainty principle shows that it is impossible to do a good job of beam shaping no matter how one designs ones lens.
Science Fiction Fact and Fantasy
The process of combining nuclei (the protons and neutrons inside an atomic nucleus) together with a release of kinetic energy is called fusion. This process powers the Sun, it contributes to the world stockpile of weapons of mass destruction and may one day generate safe, clean electrical power. Understanding the intricacies of fusion power, promised for 50 years, ,is sometimes difficult because there are a number of ways of doing it. There is hot fusion, cold fusion and con-fusion. Hot fusion is what powers suns through the conversion of mass energy to kinetic energy. Cold fusion generates con-fusion and nobody really knows what it is. Honestly - this is true. There does seem to be something going on here; I just don't know what. Apparently some experimenters get energy out of a process many call cold fission but no one seems to know what it is, or how to do it reliably. It is not getting much attention from the mainline physics community. Even so, no one is generating electrical power for you and me with either method. In this article 1 will point out some basic features of the mainstream approaches taken to hot fusion power, as well as describe why z pinches are worth pursuing as a driver for a power reactor and may one day generate electrical power for mankind.
Abstract not provided.
Physical Review B
An unconstrained minimization algorithm for electronic structure calculations using density functional for systems with a gap is developed to solve for nonorthogonal Wannier-like orbitals in the spirit of E. B. Stechel, A. R. Williams, and P. J. Feibelman, Phys. Rev. B 49, 10,008 (1994). The search for the occupied sub-space is a Grassmann conjugate gradient algorithm generalized from the algorithm of A. Edelman, T.A. Arias, and S. T. Smith, SIAM J. on Matrix Anal. Appl. 20, 303 (1998). The gradient takes into account the nonorthogonality of a local atom-centered basis, gaussian in their implementation. With a localization constraint on the Wannier-like orbitals, well-constructed sparse matrix multiplies lead to O(N) scaling of the computationally intensive parts of the algorithm. Using silicon carbide as a test system, the accuracy, convergence, and implementation of this algorithm as a quantitative alternative to diagonalization are investigated. Results up to 1,458 atoms on a single processor are presented.
The ability to engineer ordered arrays of objects on multiple length scales has potential for applications such as microelectronics, sensors, wave guides, and photonic lattices with tunable band gaps. Since the invention of surfactant templated mesoporous sieves in 1992, great progress has been made in controlling different mesophases in the form of powders, particles, fibers, and films. To date, although there have been several reports of patterned mesostructures, materials prepared have been limited to metal oxides with no specific functionality. For many of the envisioned applications of hierarchical materials in micro-systems, sensors, waveguides, photonics, and electronics, it is necessary to define both form and function on several length scales. In addition, the patterning strategies utilized so far require hours or even days for completion. Such slow processes are inherently difficult to implement in commercial environments. The authors present a series of new methods of producing patterns within seconds. Combining sol-gel chemistry, Evaporation-Induced Self-Assembly (EISA), and rapid prototyping techniques like pen lithography, ink-jet printing, and dip-coating on micro-contact printed substrates, they form hierarchically organized silica structures that exhibit order and function on multiple scales: on the molecular scale, functional organic moieties are positioned on pore surfaces, on the mesoscale, mono-sized pores are organized into 1-, 2-, or 3-dimensional networks, providing size-selective accessibility from the gas or liquid phase, and on the macroscale, 2-dimensional arrays and fluidic or photonic systems may be defined. These rapid patterning techniques establish for the first time a link between computer-aided design and rapid processing of self-assembled nanostructures.
Abstract not provided.
This paper describes the most recent version of a human reliability analysis (HRA) method called ``A Technique for Human Event Analysis'' (ATHEANA). The new version is documented in NUREG-1624, Rev. 1 [1] and reflects improvements to the method based on comments received from a peer review that was held in 1998 (see [2] for a detailed discussion of the peer review comments) and on the results of an initial trial application of the method conducted at a nuclear power plant in 1997 (see Appendix A in [3]). A summary of the more important recommendations resulting from the peer review and trial application is provided and critical and unique aspects of the revised method are discussed.
International Journal for Numerical Methods in Engineering
We present a computational method that finds an efficient runner network for an investment casting, once the gate locations have been established. The method seeks to minimize a cost function that is based on total network volume. The runner segments are restricted to lie in the space not occupied by the part itself. The collection of algorithms has been coded in C and runner designs have been computed for several real parts, demonstrating substantial reductions in rigging volume.
Microporous and Mesoporous Materials
Abstract not provided.
Journal of American Ceramic Society
Robocasting, a computer controlled slurry deposition technique, was used to fabricate ceramic monoliths and composites of chemically prepared Pb(Zr{sub 0.95}Ti{sub 0.05})O{sub 3} (PZT 95/5) ceramics. Densities and electrical properties of the robocast samples were equivalent to those obtained for cold isostatically pressed (CIP) parts formed at 200 MPa. Robocast composites consisting of alternate layers of the following sintered densities: (93.9%--96.1%--93.9%), were fabricated using different levels of organic pore former additions. Modification from a single to a multiple material deposition robocaster was essential to the fabrication of composites that could withstand repeated cycles of saturated polarization switching under 30 kV/cm fields. Further, these composites withstood 500 MPa hydrostatic pressure induced poled ferroelectric (FE) to antiferroelectric (AFE) phase transformation during which strain differences on the order of 0.8% occurred between composite elements.
In the authors initial high heat flux tests on small mockups armored with W rods, done in the small electron beam facility (EBTS) at Sandia National Laboratories, the mockups exhibited excellent thermal performance. However, to reach high heat fluxes, they reduced the heated area to only a portion ({approximately}25%) of the sample. They have now begun tests in their larger electron beam facility, EB 1200, where the available power (1.2 MW) is more than enough to heat the entire surface area of the small mockups. The initial results indicate that, at a given power, the surface temperatures of rods in the EB 1200 tests is somewhat higher than was observed in the EBTS tests. Also, it appears that one mockup (PW-10) has higher surface temperatures than other mockups with similar height (10mm) W rods, and that the previously reported values of absorbed heat flux on this mockup were too high. In the tests in EB 1200 of a second mockup, PW-4, absorbed heat fluxes of {approximately}22MW/m{sup 2} were reached but the corresponding surface temperatures were somewhat higher than in EBTS. A further conclusion is that the simple 1-D model initially used in evaluating some of the results from the EBTS testing was not adequate, and 3-D thermal modeling will be needed to interpret the results.
Applied Spectroscopy
Abstract not provided.
Physical Review B
Abstract not provided.
Granular Matters
Abstract not provided.
Physical Review Letters
Abstract not provided.
Granular Matters
Abstract not provided.
Abstract not provided.
A brief review is given of recent progress in fabrication of high voltage GaN and AlGaN rectifiers, GaN/AlGaN heterojunction bipolar transistors, GaN heterostructure and metal-oxide semiconductor field effect transistors. Improvements in epitaxial layer quality and in fabrication techniques have led to significant advances in device performance.
Journal of Crystal Growth
Abstract not provided.
Applied Physics Letters
The authors have performed first-principles calculations to examine the effects of biaxial strain and chemical ordering on the band gap of wurtzite In{sub x}Ga{sub 1{minus}x}N in the range 0 {le} x {le} 0.5. The results for unstrained, random alloys are in good agreement with theoretical estimates and measurements on unstrained zinc-blende alloys, but are in poor agreement with recent measurements on strained wurtzite alloys which display significantly lower gaps. Biaxial strain is found to have a non-linear effect on calculated alloy gaps, increasing them for x < 0.25 and decreasing them for x > 0.25. However, the overall agreement with measured wurtzite values remains poor. Chemical ordering along the [0001] direction in strained alloys is found to decrease the band gaps considerably, yielding much improved agreement with measurements. They discuss their results with regard to current theories concerning the optical properties of wurtzite InGaN alloys.
Physical Review Letters
S-decorated Cu trimers are investigated as likely agents of S-enhanced Cu transport between clusters on Cu(111). It is shown what Cu3S3 clusters form more readily on Cu(111) than a Cu adatom and what diffuse easily to determine how S acts. Using a systematic ab initio search, results show that the smallest of such cluster is ad-Cu3S3. approximately 0.5 ev formation energy, lower than that of a Cu adatom, and ≤0.35 eV diffusion barrier, corresponding to tight internal bonding, are obtained.
Welding Journal Research Supplement
Abstract not provided.
Macromolecules
Abstract not provided.
Abstract not provided.
The Photovoltaic Manufacturing Research and Development project is a government/industry partnership between the US Department of Energy and members of the US photovoltaic (TV) industry. The purpose of the project is to work with industry to improve manufacturing processes, reduce manufacturing costs, and improve the performance of PV products. This project is conducted through phased solicitations with industry participants selected through a competitive evaluation process. Starting in 1995, the two most recent solicitations include manufacturing improvements for balance-of-system (BOS) components, energy storage, and PV system design improvements. This paper surveys the work accomplished since that time, as well as BOS work currently in progress in the PV Manufacturing R and D project to identify areas of continued interest and product trends. Industry participants continue to work to improve inverters and to expand the features and capabilities of this key component. The industry also continues to advance fully integrated systems that meet standards for performance and safety. All participants included manufacturing improvements to reduce costs and improve reliability. Accomplishments of the project's participants are summarized to illustrate the product and manufacturing trends.
The number of commercial airframes exceeding twenty years of service continues to grow. A typical aircraft can experience over 2,000 fatigue cycles (cabin pressurizations) and even greater flight hours in a single year. An unavoidable by-product of aircraft use is that crack and corrosion flaws develop throughout the aircraft's skin and substructure elements. Economic barriers to the purchase of new aircraft have created an aging aircraft fleet and placed even greater demands on efficient and safe repair methods. The use of bonded composite doublers offers the airframe manufacturers and aircraft maintenance facilities a cost effective method to safety extend the lives of their aircraft. Instead of riveting multiple steel or aluminum plates to facilitate an aircraft repair, it is now possible to bond a single Boron-Epoxy composite doubler to the damaged structure. The FAA's Airworthiness Assurance Center at Sandia National Labs (AANC) is conducting a program with Boeing and Federal Express to validate and introduce composite doubler repair technology to the US commercial aircraft industry. This project focuses on repair of DC-10 structure and builds on the foundation of the successful L-1011 door corner repair that was completed by the AANC, Lockheed-Martin, and Delta Air Lines. The L-1011 composite doubler repair was installed in 1997 and has not developed any flaws in over three years of service, As a follow-on effort, this DC-1O repair program investigated design, analysis, performance (durability, flaw containment, reliability), installation, and nondestructive inspection issues. Current activities are demonstrating regular use of composite doubler repairs on commercial aircraft. The primary goal of this program is to move the technology into niche applications and to streamline the design-to-installation process. Using the data accumulated to date, the team has designed, analyzed, and developed inspection techniques for an array of composite doubler repairs with high-use fuselage skin applications. The general DC-10 repair areas which provide a high payoff to FedEx and which minimize design and installation complexities have been identified as follows: (1) gouges, dents, lightning strike, and impact skin damage, and (2) corrosion grind outs in surface skin. This paper presents the engineering activities that have been completed in order to make this technology available for widespread commercial aircraft use.
The National Photovoltaic (PV) Program is sponsored by the US Department of Energy and includes a PV Manufacturing Research and Development (R and D) project conducted with industry. This project includes advancements in PV components to improve reliability, reduce costs, and develop integrated PV systems. Participants submit prototypes, pre-production hardware products, and examples of the resulting final products for a range of tests conducted at several national laboratories, independent testing laboratories, and recognized listing agencies. The purpose of this testing is to use the results to assist industry in determining a product's performance and reliability, and to identify areas for potential improvement. This paper briefly describes the PV Manufacturing R and D project, participants in the area of PV systems, balance of systems, and components, and several examples of the different types of product and performance testing used to support and confirm product performance.
Safety analysis of complex systems depends on decomposing the systems into manageable subsystems, from which analysis can be rolled back up to the system level. The authors have found that there is no single best way to decompose; in fact hybrid combinations of decompositions are generally necessary to achieve optimum results. They are currently using two backbone coordinated decompositions--functional and risk, supplemented by other types, such as organizational. An objective is to derive metrics that can be used to efficiently and accurately aggregate information through analysis, to contribute toward assessing system safety, and to contribute information necessary for defensible decisions.
Journal of Chemical Information and Compter Sciences
A new method to generate chemical reaction network is proposed. The particularity of the method is that network generation and mechanism reduction are performed simultaneously using sampling techniques. Our method is tested for hydrocarbon thermal cracking. Results and theoretical arguments demonstrate that our method scales in polynomial time while other deterministic network generator scale in exponential time. This finding offers the possibility to investigate complex reacting systems such as those studied in petroleum refining and combustion.
Risk Analysis
This paper describes the evolution of the process for assessing the hazards of a geologic disposal system for radioactive waste and, similarly, nuclear power reactors, and the relationship of this process with other assessments of risk, particularly assessments of hazards from manufactured carcinogenic chemicals during use and disposal. This perspective reviews the common history of scientific concepts for risk assessment developed to the 1950s. Computational tools and techniques developed in the late 1950s and early 1960s to analyze the reliability of nuclear weapon delivery systems were adopted in the early 1970s for probabilistic risk assessment of nuclear power reactors, a technology for which behavior was unknown. In turn, these analyses became an important foundation for performance assessment of nuclear waste disposal in the late 1970s. The evaluation of risk to human health and the environment from chemical hazards is built upon methods for assessing the dose response of radionuclides in the 1950s. Despite a shared background, however, societal events, often in the form of legislation, have affected the development path for risk assessment for human health, producing dissimilarities between these risk assessments and those for nuclear facilities. An important difference is the regulator's interest in accounting for uncertainty and the tools used to evaluate it.
Abstract not provided.
Macromolecules
The miscibility of polypropylene (PP) melts in which the chains differ only in stereochemical composition has been investigated by two different procedures. One approach used detailed local information from a Monte Carlo simulation of a single chain, and the other approach takes this information from a rotational isomeric state model devised decades ago, for another purpose. The first approach uses PRISM theory to deduce the intermolecular packing in the polymer blend, while the second approach uses a Monte Carlo simulation of a coarse-grained representation of independent chains, expressed on a high-coordination lattice. Both approaches find a positive energy change upon mixing isotactic PP (iPP) and syndiotactic polypropylene (sPP) chains in the melt. This conclusion is qualitatively consistent with observations published recently by Muelhaupt and coworkers. The size of the energy chain on mixing is smaller in the MC/PRISM approach than in the RIS/MC simulation, with the smaller energy change being in better agreement with the experiment. The RIS/MC simulation finds no demixing for iPP and atactic polypropylene (aPP) in the melt, consistent with several experimental observations in the literature. The demixing of the iPP/sPP blend may arise from attractive interactions in the sPP melt that are disrupted when the sPP chains are diluted with aPP or iPP chains.
Abstract not provided.
Abstract not provided.
Accounts of Chemical Research
The study of a homologous series of silsesquioxane monomers has uncovered striking discontinuities in gelation behavior. An investigation of the chemistry during the early stages of the polymerization has provided a molecular basis for these observations. Monomers containing from one to four carbon atoms exhibit a pronounced tendency to undergo inter or intramolecular cyclization. The cyclic intermediates have been characterized by {sup 29}Si NMR, chemical ionization mass spectrometry and isolation from the reaction solution. These carbosiloxanes are local thermodynamic sinks that produce kinetic bottlenecks in the production of high molecular weight silsesquioxanes. The formation of cyclics results in slowing down or in some cases completely shutting down gelation. An additional finding is that the cyclic structures are incorporated intact into the final xerogel. Since cyclization alters the structure of the building block that eventually makes up the xerogel network, it is expected that this will contribute importantly to the bulk properties of the xerogel as well.
Inorganic Chemistry
The syntheses, crystal structures and some properties of {alpha}- and {beta}-ZnHPO{sub 3}{center_dot}N{sub 4}C{sub 2}H{sub 4} are reported. These two polymorphs are the first organically-templated hydrogen phosphites. They are built up from vertex-sharing HPO{sub 3} pseudo pyramids and ZnO{sub 3}N tetrahedra, where the Zn-N bond represents a direct link between zinc and the neutral 2-cyanoguanidine template. {alpha}-ZnHPO{sub 3}{center_dot}N{sub 4}C{sub 2}H{sub 4} is built up from infinite layers of vertex-sharing ZnO{sub 3}N and HPO{sub 3} groups forming 4-rings and 8-rings. {beta}-ZnHPO{sub 3}{center_dot}N{sub 4}C{sub 2}H{sub 4} has strong one-dimensional character, with the polyhedral building units forming 4-ring ladders. Similarities and differences to related zinc phosphates are discussed. Crystal data: {alpha}-ZnHPO{sub 3}{center_dot}N{sub 4}C{sub 2}H{sub 4}, M{sub r} = 229.44, monoclinic, P2{sub 1}/c, a = 9.7718 (5) {angstrom}, b = 8.2503 (4) {angstrom}, c = 9.2491 (5) {angstrom}, {beta} = 104.146 (1){sup 0}, V = 723.1 (1) {angstrom}{sup 3}, R(F) = 2.33%, wR(F) = 2.52%. {beta}-ZnHPO{sub 3}{center_dot}N{sub 4}C{sub 2}H{sub 4}, M{sub r} = 229.44, monoclinic, C2/c, a = 14.5092 (9) {angstrom}, b = 10.5464 (6) {angstrom}, c = 10.3342 (6) {angstrom}, {beta} = 114.290 (1){sup 0}, V = 1441.4 (3) {angstrom}{sup 3}, R(F) = 3.01%, wR(F) = 3.40%.
Science
The structure of Na{sub 16}Nb{sub 12.8}Ti{sub 3.2}O{sub 44.8}(OH){sub 3.2} {center_dot} 8H{sub 2}O, a member of a new family of Sandia Octahedral Molecular Sieves (SOMS) having a Nb/Na/M{sup IV} (M= Ti, Zr) oxide framework and exchangeable Na and water in open channels, was determined from Synchrotron X-ray data. The SOMS phases are isostructural with variable M{sup IV}:Nb(1:50--1:4) ratios. The SOMS are extremely selective for sorption of divalent cations, particularly Sr{sup 2+}. The ion-exchanged SOMS undergo direct thermal conversion to a perovskite-type phase, indicating this is a promising new method for removal and sequestration of radioactive Sr-90 from mixed nuclear wastes.