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.
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.
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.
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.
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.
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.
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.
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.
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.
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%.
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.
Magnesium aryloxides were prepared in a variety of solvents through the reaction of dibutyl magnesium with sterically varied aryl alcohols: 2,6-dimethylphenol (H-DMP), 2,6-diisopropylphenol (H-DIP), and 2,4,6-trichlorophenol (H-TCP). Upon using a sufficiently strong Lewis-basic solvent, the monomeric species Mg(DMP){sub 2}(py){sub 3} (1, py = pyridine), Mg(DIP){sub 2}(THF){sub 3}, (2a, THF = tetrahydrofuran) Mg(TCP){sub 2}(THF){sub 3} (3) were isolated. Each of these complexes possesses a five-coordinate magnesium that adopts a trigonal bipyramidal geometry. In the absence of a Lewis base, the reaction with H-DIP yields a soluble trinuclear complex, [Mg(DIP){sub 2}]{sub 3} (2b). The Mg metal centers in 2b adopt a linear arrangement with a four-coordinate central metal while the outer metal centers are reduced to just three-coordinate. Solution spectroscopic methods suggest that while 2b remains intact, the monomeric species (1, 2a, and 3) are involved in equilibria, which facilitate intermolecular ligand transfer.
To confirm conversion of soil Pb to pyromorphite [Pb{sub 5}(PO{sub 4}){sub 3}Cl], a Pb contaminated soil collected adjacent to a historical smelter was reacted with hydroxyapatite in slurries of soil and hydroxyapatite separated by a dialysis membrane and incubated. A crystalline precipitate formed on the dialysis membrane in the slurry systems was identified as chloropyromorphite. Soluble species measured in the soil slurry indicated that dissolution of solid-phase soil Pb was the rate-limiting step for pyromorphite formation. Additionally samples reacted with hydroxyapatite were incubated at field-capacity moisture content. The sequential chemical extraction used to identify species in the field-moist soil incubation experiment showed that hydroxyapatite treatment reduced the first four fractions of extractable Pb and correspondingly increased the recalcitrant extraction residue fraction by 35% of total Pb at 0 d incubation and by 45% after 240 d incubation. the increase in the extraction residue fraction in the 240 d incubation as compared to the 0 d incubation implies that the reaction occurs in the soil but the increase in the hydroxyapatite amended 0 d incubated soil as compared to the control soil illustrates the chemical extraction procedure caused changes in the extractability. Thus, the chemical extraction procedure cannot easily be utilized to confirm changes occurring in the soil as a result of incubation. Extended x-ray absorption fine structure (EXAFS) spectroscopy indicated that the 240 d incubated hydroxyapatite treatment caused a change in the average, local molecular bonding environment of soil Pb. Low-temperature EXAFS spectra (chi data and radial structure functions - RSFs) showed a high degree of similarity between the chemical extraction residue and synthetic pyromorphite. Thus, confirming that the change of soil Pb to pyromorphite is possible by simple amendments of hydroxyapatite to soil.
The authors describe the microfabrication of a multi-level diffractive optical element (DOE) onto a micro-electromechanical system (MEMS) as a key element in an integrated compact optical-MEMS laser scanner. The DOE is a four-level off-axis microlens fabricated onto a movable polysilicon shuttle. The microlens is patterned by electron beam lithography and etched by reactive ion beam etching. The DOE was fabricated on two generations of MEMS components. The first generation design uses a shuttle suspended on springs and displaced by a linear rack. The second generation design uses a shuttle guided by roller bearings and driven by a single reciprocating gear. Both the linear rack and the reciprocating gear are driven by a microengine assembly. The compact design is based on mounting the MEMS module and a vertical cavity surface emitting laser (VCSEL) onto a fused silica substrate that contains the rest of the optical system. The estimated scan range of the system is {+-}4{degree} with a spot size of 0.5 mm.
A novel planar resonant tunneling transistor is demonstrated. The growth structure is similar to that of a double-barrier resonant tunneling diode (RTD), except for a fully two-dimensional (2D) emitter formed by a quantum well. Current is fed laterally into the emitter, and the 2D--2D resonant tunneling current is controlled by a surface gate. This unique device structure achieves figures-of-merit, i.e. peak current densities and peak voltages, approaching that of state-of-the-art RTDs. Most importantly, sensitive control of the peak current and voltage is achieved by gating of the emitter quantum well subband energy. This quantum tunneling transistor shows exceptional promise for ultra-high speed and multifunctional operation at room temperature.
Using Low Energy Electron Microscopy (LEEM), the authors have followed Cu(100) surface morphology changes during Pb deposition at different temperatures. Surface steps advance and 2-D islands nucleate and grow as deposited Pb first alloys, and then dealloys, on a 125 C Cu(100)surface. From LEEM images, they determine how much Cu is being displaced at each stage and find that the amount of material added to the top layer for a complete Pb/Cu(100) c(4x4) reconstruction (a surface alloy) is consistent with the expected c(4x4) Cu content of 0.5 monolayer. However, as the surface changes to the Pb/Cu(100) c(2x2) overlayer, they find that the displaced material from surface dealloying, 0.22ML, is more than a factor of two lower than expected based on a pure Pb c(2x2) overlayer. Further, they find that in the 70 to 130 C range the amount of Cu remaining in c(2x2) increases with increasing substrate temperature during the deposition, showing that surface Cu is alloyed with Pb in the c(2x2) structure at these temperatures. When holding the sample at 125 C, the transformation from the c(2x2) structure to the higher coverage c(5{radical}2 x{radical}2)R45{degree} overlayer structure displaces more Cu, confirming the c(2x2) surface alloy model. They also find the c(2x2) surface has characteristically square 2-D islands with step edges parallel to the (100) type crystallographic directions, whereas the c(5{radical}2 x{radical}2)R45{degree} structure has line-like features which run parallel to the dislocation double rows of this surface's atomic structure and which expand into 2-D islands upon coarsening.
The authors have investigated the effects of heme rotational isomerism in sperm-whale carbonmonoxy myoglobin using computational techniques. Several molecular dynamics simulations have been performed for the two rotational isomers A and B, which are related by a 180{degree} rotation around the {alpha}-{gamma} axis of the heme, of sperm-whale carbonmonoxy myoglobin in water. Both neutron diffraction and NMR structures were used as starting structures. In the absence of an experimental structure, the structure of isomer B was generated by rotating the heme in the structure of isomer A. Distortions of the heme from planarity were characterized by normal coordinate structural decomposition and by the angle of twist of the pyrrole rings from the heme plane. The heme distortions of the neutron diffraction structure were conserved in the MD trajectories, but in the NMR-based trajectories, where the heme distortions are less well defined, they differ from the original heme deformations. The protein matrix induced similar distortions on the heroes in orientations A and B. The results suggest that the binding site prefers a particular macrocycle conformation, and a 180{degree} rotation of the heme does not significantly alter the protein's preference for this conformation. The intrinsic rotational strengths of the two Soret transitions, separated according to their polarization in the heme plane, show strong correlations with the ruf-deformation and the average twist angle of the pyrrole rings. The total rotational strength, which includes contributions from the chromophores in the protein, shows a weaker correlation with heme distortions.
The authors report on their recent experimental studies of vertically-coupled quantum point contacts subject to in-plane magnetic fields. Using a novel flip-chip technique, mutually aligned split gates on both sides of a sub micron thick double quantum well heterostructure define a closely-coupled pair of ballistic one-dimensional (1D) constrictions. They observe quantized conductance steps due to each quantum well and demonstrate independent control of each ID constriction width. In addition, a novel magnetoconductance feature at {approximately}6 T is observed when a magnetic field is applied perpendicular to both the current and growth directions. This conductance dip is observed only when 1D subbands are populated in both the top and bottom constrictions. This data is consistent with a counting model whereby the number of subbands crossing the Fermi level changes with field due to the formation of an anticrossing in each pair of 1D subbands.
The design and performance of Love-wave sensors using cross-linked poly-(methyl methacrylate) waveguides of thickness of 0.3--3.2 {micro}m on LiTaO{sub 3} substrates are described. It is found that this layer-substrate combination provides sufficient waveguidance, and electrical isolation of the IDTs from the liquid environment to achieve low acoustic loss and distortion. In bio-sensing experiments, mass sensitivity up to 1,420 Hz/(ng/mm{sup 2}) is demonstrated.
The effect of the nuclear hyperfine interaction on the dc conductivity of 2D electrons under quantum Hall effect conditions at filling factor v= 1 is observed for the first time. The local hyperfine field enhanced by dynamic nuclear polarization is monitored via the Overhauser shift of the 2D conduction electron spin resonance in AlGaAs/GaAs multiquantum-well samples. The experimentally observed change in the dc conductivity resulting from dynamic nuclear polarization is in agreement with a thermal activation model incorporating the Zeeman energy change due to the hyperfine interaction. The relaxation decay time of the dc conductivity is, within experimental error, the same as the relaxation time of the nuclear spin polarization determined from the Overhauser shift. These findings unequivocally establish the nuclear spin origins of the observed conductivity change.
The authors present the results of molecular dynamics simulations of n-butane and isobutane in silicalite. They begin with a comparison of the bulk adsorption and diffusion properties for two different parameterizations of the interaction potential between the hydrocarbon species, both of which have been shown to reproduce experimental gas-liquid coexistence curves. They examine diffusion as a function of the loading of the zeolite, as well as the temperature dependence of the diffusion constant at loading and for infinite dilution. They continue with simulations in which interfaces are formed between single component gases and the zeolite. After reaching equilibrium, they examine the dynamics of exchange between the bulk gas and the zeolite. Finally, they calculate the permeability of the zeolite for n-butane and isobutane as a function of pressure. Their simulations are performed for a number of different gas temperatures and pressures, covering a wide range of state points.
Notwithstanding half a dozen theoretical publications, well-converged density-functional calculations, whether based on a local or generalized-gradient exchange-correlation potential, whether all-electron or employing pseudopotentials underestimate CO's preference for low-coordination binding sites on Pt(111) and vicinals to it. For example, they imply that CO should prefer hollow- to atop-site adsorption on Pt(111), in apparent contradiction to a host of low temperature experimental studies.
Solid Polymer Electrolytes (SPE) are widely used in batteries and fuel cells because of the high ionic conductivity that can be achieved at room temperature. The ions are usually Li or protons, although other ions can be shown to conduct in these polymer films. There has been very little published work on SPE films used as chemical sensors. The authors have found that thin films of polymers like polyethylene oxide (PEO) are very sensitive to low concentrations of volatile organic compounds (VOCs) such as common solvents. Evidence of a new sensing mechanism involving the percolation of ions through narrow channels of amorphous polymer is presented. They present impedance spectroscopy of PEO films in the frequency range 0.0001 Hz to 1 MHz for different concentrations of VOCs and relative humidity. They find that the measurement frequency is important for distinguishing ionic conductivity from the double layer capacitance and the parasitic capacitance.
Accurate predictions of retention times, retention indices, and partition constants are a long sought-after goal for theoretical studies in chromatography. Although advances in computational chemistry have improved the understanding of molecular interactions, little attention has been focused on chromatography, let alone calculations of retention properties. Configurational-bias Monte Carlo simulations in the isobaric-isothermal Gibbs ensemble were used to investigate the partitioning of benzene, toluene, and the three xylene isomers between a squalane liquid phase and a helium vapor phase. The united-atom representation of the TraPPE (Transferable Potentials for Phase Equilibria) force field was used for all solutes and squalane. The Gibbs free energies of transfer and Kovats retention indices of the solutes were calculated directly from the partition constants (which were averaged over several independent simulations). While the calculated Kovats indices of benzene and toluene at T = 403 K are significantly higher than their experimental counterparts, much better agreement is found for the xylene isomers at T = 365 K.
Molecular dynamics simulations of a simple, bead-spring model of semiflexible polyelectrolytes such as DNA are performed. All charges are explicitly treated. Starting from extended, noncondensed conformations, condensed structures form in the simulations with tetravalent or trivalent counterions. No condensates form or are stable for divalent counterions. The mechanism by which condensates form is described. Briefly, condensation occurs because electrostatic interactions dominate entropy, and the favored Coulombic structure is a charge ordered state. Condensation is a generic phenomena and occurs for a variety of polyelectrolyte parameters. Toroids and rods are the condensate structures. Toroids form preferentially when the molecular stiffness is sufficiently strong.
A z-pinch radiation source has been developed that generates 60 {+-} 20 KJ of x-rays with a peak power of 13 {+-} 4 TW through a 4-mm diameter axial aperture on the Z facility. The source has heated NIF (National Ignition Facility)-scale (6-mm diameter by 7-mm high) hohlraums to 122 {+-} 6 eV and reduced-scale (4-mm diameter by 4-mm high) hohlraums to 155 {+-} 8 eV -- providing environments suitable for indirect-drive ICF (Inertial Confinement Fusion) studies. Eulerian-RMHC (radiation-hydrodynamics code) simulations that take into account the development of the Rayleigh-Taylor instability in the r-z plane provide integrated calculations of the implosion, x-ray generation, and hohlraum heating, as well as estimates of wall motion and plasma fill within the hohlraums. Lagrangian-RMHC simulations suggest that the addition of a 6 mg/cm{sup 3} CH{sub 2} fill in the reduced-scale hohlraum decreases hohlraum inner-wall velocity by {approximately}40% with only a 3--5% decrease in peak temperature, in agreement with measurements.
The FETI algorithms are numerically scalable iterative domain decomposition methods. These methods are well documented for solving equations arising from the Finite Element discretization of second or fourth order elasticity problems. The one level FETI method equipped with the Dirichlet preconditioned was shown to be numerically scalable for second order elasticity problems while the two level FETI method was designed to be numerically scalable for fourth order elasticity problems. The second level coarse grid is an enriched version of the original one level FETI method with coarse grid. The coarse problem is enriched by enforcing transverse displacements to be continuous at the corner points. This coarse problem grows linearly with the number of subdomains. Current implementations use a direct solution method to solve this coarse problem. However, the current implementation gives rise to a full matrix system. This full matrix can lead to increased storage requirements especially if working within a distributed memory environment. Also, the factorization and subsequent forward/backward substitutions of the second level coarse problem becomes the dominant factor in solving the global problem as the number of subdomains becomes large (N{sub s} > 1,000). The authors introduce an alternative formulation of the two level coarse problem that leads to a sparse system better suited for a direct method. Then they show extensions to the alternate formulation that allow optional admissible constraints to be added to improve convergence. Lastly, they report on the numerical performance, parallel efficiency, memory requirements, and overall CPU time as compared to the classical two level FETI on some large scale fourth order elasticity problems.
A mechanical isolator has been developed for a piezoresistive accelerometer. The purpose of the isolator is to mitigate high frequency shocks before they reach the accelerometer because the high frequency shocks may cause the accelerometer to resonate. Since the accelerometer is undamped, it often breaks when it resonates. The mechanical isolator was developed in response to impact test requirements for a variety of structures at Sandia National Laboratories (SNL). An Extended Technical Assistance Program (ETAP) with the accelerometer manufacturer has resulted in a commercial mechanically isolated accelerometer that is available to the general public, the ENDEVCO 7270AM6*, for three shock acceleration ranges of 6,000 g, 20,000 g, and 60,000 g. The in-axis response shown in this report has acceptable frequency domain performance from DC to 10 kHz and 10(XO)over a temperature range of {minus}65 F to +185 F. Comparisons with other isolated accelerometers show that the ENDEVCO 7270AM6 has ten times the bandwidth of any other commercial isolator. ENDEVCO 7270AM6 cross-axis response is shown in this report.
The main objective of this project was to develop reliable, low-cost techniques for joining silicon nitride (Si{sub 3}N{sub 4}) to itself and to metals. For Si{sub 3}N{sub 4} to be widely used in advanced turbomachinery applications, joining techniques must be developed that are reliable, cost-effective, and manufacturable. This project addressed those needs by developing and testing two Si{sub 3}N{sub 4} joining systems; oxynitride glass joining materials and high temperature braze alloys. Extensive measurements were also made of the mechanical properties and oxidation resistance of the braze materials. Finite element models were used to predict the magnitudes and positions of the stresses in the ceramic regions of ceramic-to-metal joints sleeve and butt joints, similar to the geometries used for stator assemblies.
Preliminary shielding calculations were performed for a prototype National Spent Nuclear Fuel Program (NSNFP) transport cask. This analysis is intended for use in the selection of cask shield material type and preliminary estimate of shielding thickness. The radiation source term was modeled as cobalt-60 with radiation exposure strength of 100,000 R/hr. Cobalt-60 was chosen as a surrogate source because it simultaneous emits two high-energy gammas, 1.17 MeV and 1.33 MeV. This gamma spectrum is considered to be large enough that it will upper bound the spectra of all the various spent nuclear fuels types currently expected to be shipped within the prototype cask. Point-kernel shielding calculations were performed for a wide range of shielding thickness of lead and depleted uranium material. The computational results were compared to three shielding limits: 200 mrem/hr dose rate limit at the cask surface, 50 mR/hr exposure rate limit at one meter from the cask surface, and 10 mrem/hr limit dose rate at two meters from the cask surface. The results obtained in this study indicated that a shielding thickness of 13 cm is required for depleted uranium and 21 cm for lead in order to satisfy all three shielding requirements without taking credit for stainless steel liners. The system analysis also indicated that required shielding thicknesses are strongly dependent upon the gamma energy spectrum from the radiation source term. This later finding means that shielding material thickness, and hence cask weight, can be significantly reduced if the radiation source term can be shown to have a softer, lower energy, gamma energy spectrum than that due to cobalt-60.
The effects of chemical aging on the behavior of carbon black filled rubber were investigated by two types of tests, aging under no strain and aging under a constant strain. A slight modification of the damage-based theory of Segalman, used previously on unaged samples, was found to be consistent with the experimental data.
The U. S. Department of Energy Strategic Petroleum Reserve currently has approximately 500 million barrels of crude oil stored in 62 caverns solution-mined in salt domes along the Gulf Coast of Louisiana and Texas. One of the challenges of operating these caverns is ensuring that none of the fluids in the caverns are leaking into the environment. The current approach is to test the mechanical integrity of all the wells entering each cavern approximately once every five years. An alternative approach to detecting cavern leaks is to monitor the cavern pressure, since leaking fluid would act to reduce cavern pressure. Leak detection by pressure monitoring is complicated by other factors that influence cavern pressure, the most important of which are thermal expansion and contraction of the fluids in the cavern as they come into thermal equilibrium with the host salt, and cavern volume reduction due to salt creep. Cavern pressure is also influenced by cavern enlargement resulting from salt dissolution following introduction of raw water or unsaturated brine into the cavern. However, this effect only lasts for a month or two following a fluid injection. In order to implement a cavern pressure monitoring program, a software program called CaveMan has been developed. It includes thermal, creep and salt dissolution models and is able to predict the cavern pressurization rate based on the operational history of the cavern. Many of the numerous thermal and mechanical parameters in the model have been optimized to produce the best match between the historical data and the model predictions. Future measurements of cavern pressure are compared to the model predictions, and significant differences in cavern pressure set program flags that notify cavern operators of a potential problem. Measured cavern pressures that are significantly less than those predicted by the model may indicate the existence of a leak.
The spatial and temporal origin of a seismic energy source are estimated with a first grid search technique. This approach has greater likelihood of finding the global rninirnum of the arrival time misiit function compared with conventional linearized iterative methods. Assumption of a homogeneous and isotropic seismic velocity model allows for extremely rapid computation of predicted arrival times, but probably limits application of the method to certain geologic environments and/or recording geometries. Contour plots of the arrival time misfit function in the vicinity of the global minimum are extremely useful for (i) quantizing the uncertainty of an estimated hypocenter solution and (ii) analyzing the resolving power of a given recording configuration. In particular, simultaneous inversion of both P-wave and S-wave arrival times appears to yield a superior solution in the sense of being more precisely localized in space and time. Future research with this algorithm may involve (i) investigating the utility of nonuniform residual weighting schemes, (ii) incorporating linear and/or layered velocity models into the calculation of predicted arrival times, and (iii) applying it toward rational design of microseismic monitoring networks.
We present mathematical proofs for two useful properties of the clusters generated by the visual empirical region of influence (VERI) shape. The first proof shows that, for any d-dimensional vector set with more than one distinct vector, that there exists a bounded spherical volume about each vector v which contains all of the vectors that can VERI cluster with v, and that the radius of this d-dimensional volume scales linearly with the nearest neighbor distance to v. We then prove, using only each vector's nearest neighbor as an inhibitor, that there is a single upper bound on the number of VERI clusterings for each vector in any d-dimensional vector set, provided that there are no duplicate vectors. These proofs guarantee significant improvement in VERI algorithm runtimes over the brute force O(N{sup 3}) implementation required for general d-dimensional region of influence implementations and indicate a method for improving approximate O(NlogN) VERI implementations. We also present a related region of influence shape called the VERI bow tie that has been recently used in certain swam intelligence algorithms. We prove that the VERI bow tie produces connected graphs for arbitrary d-dimensional data sets (if the bow tie boundary line is not included in the region of influence). We then prove that the VERI bow tie also produces a bounded number of clusterings for each vector in any d-dimensional vector set, provided that there are no duplicate vectors (and the bow tie boundary line is included in the region of influence).
Multivariate calibration techniques have been used in a wide variety of spectroscopic situations. In many of these situations, spectral variation can be partitioned into separate classes. For example, suppose that multiple spectra are obtained from each of a number of different objects wherein the level of the analyze of interest varies within each object over time. In such situations, the total spectral variation observed across all measurements has two distinct general sources of variation: intraobject and interobject. One might want to develop a global multivariate calibration model that predicts the analyze of interest accurately both within and across objects, including new objects not involved in developing the calibration model. However, this goal might be hard to realize if the interobject spectral variation is complex and difficult to model. If the intraobject spectral variation is consistent across objects, an effective alternative approach might be to develop a generic intraobject model that can be adapted to each object separately. This paper contains recommendations for experimental protocols and data analysis in such situations. The approach is illustrated with an example involving the noninvasive measurement of glucose using near-infrared reflectance spectroscopy. Extensions to calibration maintenance and calibration transfer are discussed.
Careful characterization of laser beams used in materials processing such as welding and drilling is necessary to obtain robust, reproducible processes and products. Recently, equipment and techniques have become available which make it possible to rapidly and conveniently characterize the size, shape, mode structure, beam quality (Mz), and intensity of a laser beam (incident power/unit area) as a function of distance along the beam path. This facilitates obtaining a desired focused spot size and also locating its position. However, for a given position along the beam axis, these devices typically measure where the beam intensity level has been reduced to I/ez of maximum intensity at that position to determine the beam size. While giving an intuitive indication of the beam shape since the maximum intensity of the beam varies greatly, the contour so determined is not an iso-contour of any parameter related to the beam intensity or power. In this work we shall discuss an alternative beam shape formulation where the same measured information is plotted as contour intervals of intensity.
The authors study multi-photon-assisted transmission of electrons through single-step, single-barrier and double-barrier potential-energy structures as a function of the photon energy and the temperature. Sharp resonances in the spectra of the tunneling current through double-barrier structures are relevant to infra-red detectors.
The diffusion, uptake, and release of H in p-type GaN are modeled employing state energies from density-function theory and compared with measurements of deuterium uptake and release using nuclear-reaction analysis. Good semiquantitative agreement is found when account is taken of a surface permeation barrier.
The switching and memory retention time has been measured in 50 {micro}m gatelength pseudo-non-volatile memory MOSFETs containing, protonated 40 nm gate oxides. Times of the order of 3.3 seconds are observed for fields of 3 MV cm{sup {minus}1}. The retention time with protons placed either at the gate oxide/substrate or gate oxide/gate electrode interfaces is found to better than 96% after 5,000 seconds. Measurement of the time dependence of the source-drain current during switching provides clear evidence for the presence of dispersive proton transport through the gate oxide.
Ethane oxidation reactions were studied over pure and Ca-, Mg-, Sr-, La-, Nd-, and Y-substituted BaCeO3 perovskites under oxygen limited conditions. Several of the materials, notably the Ca- and Y-substituted materials, show activity for complete oxidation of the hydrocarbon to CO2 at temperatures below 650 °C. At higher temperatures, the oxidative dehydrogenation (ODH) to ethylene becomes significant. Conversions and ethylene yields are enhanced by the perovskites above the thermal reaction in our system in some cases. The perovskite structure is not retained in the high temperature reaction environment. Rather, a mixture of carbonates and oxides is formed. Loss of the perovskite structure correlates with a loss of activity and selectivity to ethylene.
The authors are developing a laser radar to meet the needs of NASA for a 5-lb, 150 in{sup 3} image sensor with a pixel range accuracy of 0.1-inch. NASA applications include structural dynamics measurements, navigation guidance in rendezvous and proximity operations, and space vehicle inspection. The sensor is based on the scannerless range imager architecture developed at Sandia. This architecture modulates laser floodlight illumination and a focal plane receiver to phase encode the laser time of flight (TOF) for each pixel. They believe this approach has significant advantages over architectures directly measuring TOF including high data rate, reduced detector bandwidth, and conventional FPA detection. A limitation of the phase detection technique is its periodic nature, which provides relative range information over a finite ambiguity interval. To extend the operating interval while maintaining a given range resolution, a LADAR sensor using dual modulation frequencies has been developed. This sensor also extends the relative range information to absolute range by calibrating a gating function on the receiver to the TOF. The modulation frequency values can be scaled to meet the resolution and range interval requirements of different applications. Results from the miniature NASA sensor illustrate the advantages of the dual-frequency operation and the ability to provide the range images of 640 by 480 pixels at 30 frames per second.
A mobile 480-V, 2-MVA UPS System utilizing battery energy storage was installed at S and C Electric Company's Polymer Products Fabrication Building in Chicago, Illinois in May 1999 to provide uninterrupted power to the building for up to 15 seconds in the event of a voltage sag or momentary interruption in the local utility supply. Similar units can be applied at medium voltage through the application of a step-up transformer to provide momentary power disturbance ride through of up to 30 seconds for loads up to 15 MVA at system voltages ranging from 4.16 kV to 34.5 kV. A power quality evaluation of the installation was performed over a six-month period from July 1999 to early January 2000. This paper describes the details and results of this power quality evaluation, which involved two phases. Phase I involved the collection and review of power disturbance data and the effects on process equipment, while Phase II involved power quality monitoring of utility source and building load voltages and currents over a period of six months. Review of power disturbance data and equipment power-disturbance ride-through characteristics during Phase I of the project indicated that the polymer fabrication process in the building is affected by the tripping of motors driving hydraulic pumps for the thermal set molding machines. The tripping of these motors may have resulted in direct production losses in 1998 of approximately $468,000. The monitoring conducted during Phase II of the project showed that the PureWave UPS operated as intended during 12 utility voltage sag events to protect the building's load against momentary power disturbances. In addition, the unit operated successfully during many staged interruptions involving opening of a source-side circuit breaker.
We have used gas chromatography-mass spectroscopy (GCMS) to study the decomposition of TBA (tert-butylarsine, H2AsC(CH3)3) in storage containers at room temperature. Over a four-week period, as much as 1% of the TBA decomposed to arsine and isobutane in a stainless-steel bottle. Several freeze-thaw purification schemes were tested. Use of a liquid-nitrogen bath left a substantial amount of arsine and isobutane in the bottle, while an ice water bath removed all of the arsine but left residual isobutane. Evacuation of the storage container at room temperature removed both arsine and isobutane to below the GCMS detection limits. However, this approach did lead to significant TBA loss. Storing TBA in a Teflon-lined bottle and in a high-surface-to-volume stainless-steel container did not change the decomposition rate measurably, suggesting that stainless-steel surfaces do not promote TBA decomposition.
Quantitative measurements of the diffusion of adsorbed mixed Ge-Si dimers on the Si(100) surface have been made as a function of temperature using atom-tracking scanning tunneling microscopy. These mixed dimers are distinguishable from pure Si-Si dimers by their characteristic kinetics--a 180-degree rotation between two highly buckled configurations. At temperatures at which the mixed dimers diffuse, atomic-exchange events occur, in which the Ge atom in the adsorbed dimer exchanges with a substrate Si atom. Re-exchange can also occur when the diffusing Si-Si dimer revisits the original site of exchange.
To design more radiation tolerant Integrated Circuits (ICs), it is essential to create and test accurate models of ionizing radiation induced charge collection dynamics within microcircuits. A new technique, Diffusion Time Resolved Ion Beam Induced Charge Collection (DTRIBICC), is proposed to measure the average arrival time of the diffused charge at the junction. Specially designed stripe-like junctions were experimentally studied using a 12 MeV carbon microbeam with a spot size of 1 {micro}m. The relative arrival time of ion-generated charge is measured along with the charge collection using a multiple parameter data acquisition system. The results show the importance of the diffused charge collection by junctions, which is especially significant in accounting for Multiple Bit Upset (MBUs) in digital devices.
Electrode gap is a very important parameter for the safe and successful control of vacuum arc remelting (VAR), a process used extensively throughout the specialty metals industry for the production of nickel base alloys and aerospace titanium alloys. Optimal estimation theory has been applied to the problem of estimating electrode gap and a filter has been developed based on a model of the gap dynamics. Taking into account the uncertainty in the process inputs and noise in the measured process variables, the filter provides corrected estimates of electrode gap that have error variances two-to-three orders of magnitude less than estimates based solely on measurements for the sample times of interest. This is demonstrated through simulations and confined by tests on the VAR furnace at Sandia National Laboratories. Furthermore, the estimates are inherently stable against common process disturbances that affect electrode gap measurement and melting rate. This is not only important for preventing (or minimizing) the formation of solidification defects during VAR of nickel base alloys, but of importance for high current processing of titanium alloys where loss of gap control can lead to a catastrophic, explosive failure of the process.
The authors have shown that the hydroperoxide species in {gamma}-irradiated {sup 13}C-polyethylene can be directly observed by {sup 13}C MAS NMR spectroscopy. The experiment was performed without the need for special sample preparation such as chemical derivatization or dissolution. Annealing experiments were employed to study the thermal decomposition of the hydroperoxide species and to measure an activation energy of 98 kJ/mol. EPR spectroscopy suggests that residual polyenyl and alkylperoxy radicals are predominantly trapped in interracial or crystalline regions, while the peroxy radicals observed after UV-photolysis of hydroperoxides are in amorphous regions.
A solution mining facility at the Eddy Potash Mine, Eddy County, New Mexico has been proposed that will utilize salinity gradient solar pond (SGSP) technology to supply industrial process thermal energy. The process will include underground dissolution of potassium chloride (KCl) from pillars and other reserves remaining after completion of primary room and pillar mining using recirculating solutions heated in the SGSP. Production of KCl will involve cold crystallization followed by a cooling pond stage, with the spent brine being recirculated in a closed loop back to the SGSP for reheating. This research uses SGSP as a renewable, clean energy source to optimize the entire mining process, minimize environmental wastes, provide a safe, more economical extraction process and reduce the need for conventional processing by crushing, grinding and flotation. The applications of SGSP technology will not only save energy in the extraction and beneficiation processes, but also will produce excess energy available for power generation, desalination, and auxiliary structure heating.
A major cause of failures in heat exchangers and steam generators in nuclear power plants is degradation of the tubes within them. The tube failure is often caused by the development of cracks that begin on the outer surface of the tube and propagate both inwards and laterally. A new technique will be described for detection of defects using a continuous-wave radar device within metal tubing. The technique is 100% volumetric, and may find smaller defects, find them more rapidly, and find them less expensively than present methods. Because this project was started only recently, there is no demonstrated performance to report so far. However, the basic engineering concepts will be presented together with a description of the milestone tasks and dates.
A hybrid of a microfabricated planar preconcentrator and a four element chemiresistor array chip has been fabricated and the performance as a chemical sensor system has been demonstrated. The close proximity of the chemiresistor sensor to the preconcentrator absorbent layer allows for fast transfer of the preconcentrated molecules during the heating and resorption step. The hybrid can be used in a conventional flow sampling system for detection of low concentrations of analyte molecules or in a pumpless/valveless mode with a grooved lid to confine the desorption plume from the preconcentrator during heating.
Recently, an EBSD system was developed that uses a 1024 x 1024 CCD camera coupled to a thin phosphor. This camera has been shown to produce excellent EBSD patterns. In this system, crystallographic information is determined from the EBSD pattern and coupled with the elemental information from energy or wavelength dispersive x-ray spectrometry. Identification of the crystalline phase of a sample is then made through a link to a commercial diffraction database. To date, this system has been applied almost exclusively to conventional, bulk samples that have been polished to a flat surface. In this investigation, the authors report on the application of the EBSD system to the phase identification analysis (PIA) of individual micrometer and submicrometer particles rather than flat surfaces.