Quality metrics for structured and unstructured mesh generation are placed within an algebraic framework to form a mathematical theory of mesh quality metrics. The theory, based on the Jacobian and related matrices, provides a means of constructing, classifying, and evaluating mesh quality metrics. The Jacobian matrix is factored into geometrically meaningful parts. A nodally-invariant Jacobian matrix can be defined for simplicial elements using a weight matrix derived from the Jacobian matrix of an ideal reference element. Scale and orientation-invariant algebraic mesh quality metrics are defined. the singular value decomposition is used to study relationships between metrics. Equivalence of the element condition number and mean ratio metrics is proved. Condition number is shown to measure the distance of an element to the set of degenerate elements. Algebraic measures for skew, length ratio, shape, volume, and orientation are defined abstractly, with specific examples given. Combined metrics for shape and volume, shape-volume-orientation are algebraically defined and examples of such metrics are given. Algebraic mesh quality metrics are extended to non-simplical elements. A series of numerical tests verify the theoretical properties of the metrics defined.
The authors show that the real space representation of the interface-roughness as a fluctuating potential in the coordinate space is equivalent to the usual energy-fluctuation representation for intrasublevel scattering in a single quantum well with a generally shaped confinement-potential profile. The coordinate picture is, however, more general and can be used for higher-order effects and multi-sublevel scattering in coupled multi-quantum-well structures.
Exploratory hydrothermal synthesis in the system Cs{sub 2}O-SiO{sub 2}-TiO{sub 2}-H{sub 2}O has produced a new polymorph of Cs{sub 2}TiSi{sub 6}O{sub 15} (SNL-A) whose structure was determined using a combination of experimental and theoretical techniques ({sup 29}Si and {sup 133}Cs NMR, X-ray Rietveld refinement, and Density Functional Theory). SNL-A crystallizes in the monoclinic space-group Cc with unit cell parameters: a = 12.998(2) {angstrom}, b = 7.5014(3) {angstrom}, c = 15.156(3) {angstrom}, {eta} = 105.80(3) {degree}. The SNL-A framework consists of silicon tetrahedra and titanium octahedra which are linked in 3-, 5-, 6-, 7- and 8-membered rings in three dimensions. SNL-A is distinctive from a previously reported C2/c polymorph of Cs{sub 2}TiSi{sub 6}O{sub 15} by different ring geometries. Similarities and differences between the two structures are discussed. Other characterizations of SNL-A include TGA-DTA, Cs/Si/Ti elemental analyses, and SEM/EDS. Furthermore, the chemical and radiation durability of SNL-A was studied in interest of ceramic waste form applications. These studies show that SNL-A is durable in both radioactive and rigorous chemical environments. Finally, calculated cohesive energies of the two Cs{sub 2}TiSi{sub 6}O{sub 15} polymorphs suggest that the SNL-A phase (synthesized at 200 C) is energetically more favorable than the C2/c polymorph (synthesized at 1,050 C).
A number of substantive modifications were made from Version 1.0 to Version 1.1 of the ATM Security Specification. To assist implementers in identifying these modifications, the authors propose to include a foreword to the Security 1.1 specification that lists these modifications. Typically, a revised specification provides some mechanism for implementers to determine the modifications that were made from previous versions. Since the Security 1.1 specification does not include change bars or other mechanisms that specifically direct the reader to these modifications, they proposed to include a modification table in a foreword to the document. This modification table should also be updated to include substantive modifications that are made at the San Francisco meeting.
In this paper, the authors examined the areas in c-Si growth, materials, and processing that require improvement through research to overcome barriers to the implementation of the photovoltaic road maps's Si goals. To obtain PV module throughput to the roadmap target of 200 MW/factory/year, the typical Si PV factory must produce >4,000 m{sup 2}/day of silicon.
Two major problems associated with Si-based MEMS devices are stiction and wear. Surface modifications are needed to reduce both adhesion and friction in micromechanical structures to solve these problems. In this paper, the authors will present a process used to selectively coat MEMS devices with tungsten using a CVD (Chemical Vapor Deposition) process. The selective W deposition process results in a very conformal coating and can potentially solve both stiction and wear problems confronting MEMS processing. The selective deposition of tungsten is accomplished through silicon reduction of WF{sub 6}, which results in a self-limiting reaction. The selective deposition of W only on polysilicon surfaces prevents electrical shorts. Further, the self-limiting nature of this selective W deposition process ensures the consistency necessary for process control. Selective tungsten is deposited after the removal of the sacrificial oxides to minimize process integration problems. This tungsten coating adheres well and is hard and conducting, requirements for device performance. Furthermore, since the deposited tungsten infiltrates under adhered silicon parts and the volume of W deposited is less than the amount of Si consumed, it appears to be possible to release stuck parts that are contacted over small areas such as dimples. Results from tungsten deposition on MEMS structures with dimples will be presented. The effect of wet and vapor phase cleanings prior to the deposition will be discussed along with other process details. The W coating improved wear by orders of magnitude compared to uncoated parts. Tungsten CVD is used in the integrated-circuit industry, which makes this approach manufacturable.
The so-called Palmgren-Miner concept that degradation is cumulative, and that failure is therefore considered to be the direct result of the accumulation of damage with time, has been known for decades. Cumulative damage models based on this concept have been derived and used mainly for fatigue life predictions for metals and composite materials. The authors review the principles underlying such models and suggest ways in which they may be best applied to polymeric materials in temperature environments. The authors first consider cases where polymer degradation data can be rigorously time-temperature superposed over a given temperature range. For a step change in temperature after damage has occurred at an initial temperature in this range, they show that the remaining lifetime at the second temperature should be linearly related to the aging time prior to the step. This predicted linearity implies that it may be possible to estimate the remaining lifetime of polymeric materials aging under application ambient conditions by completing the aging at an accelerated temperature. They refer to this generic temperature-step method as the Wear-out approach. They then outline the expectations for Wear-out experiments when time-temperature superposition is invalid, specifically describing the two cases where so-called interaction effects are absent and are present. Finally, they present some preliminary results outlining the application of the Wear-out approach to polymers. In analyzing the experimental Wear-out results, they introduce a procedure that they refer to as time-damage superposition. This procedure not only utilizes all of the experimental data instead of a single point from each data set, but also allows them to determine the importance of any interaction effects.
In lead-acid battery systems, cycling systems are often managed using float management strategies. There are many differences in battery management strategies for a float environment and battery management strategies for a cycling environment. To complicate matters further, in many cycling environments, such as off-grid domestic power systems, there is usually not an available charging source capable of efficiently equalizing a lead-acid battery let alone bring it to a full state of charge. Typically, rules for battery management which have worked quite well in a floating environment have been routinely applied to cycling batteries without full appreciation of what the cycling battery really needs to reach a full state of charge and to maintain a high state of health. For example, charge target voltages for batteries that are regularly deep cycled in off-grid power sources are the same as voltages applied to stand-by systems following a discharge event. In other charging operations equalization charge requirements are frequently ignored or incorrectly applied in cycled systems which frequently leads to premature capacity loss. The cause of this serious problem: the application of float battery management strategies to cycling battery systems. This paper describes the outcomes to be expected when managing cycling batteries with float strategies and discusses the techniques and benefits for the use of cycling battery management strategies.
Over 75,000 permeability measurements were collected from a meter-scale block of Massillon sandstone, characterized by conspicuous cross bedding that forms two distinct nested-scales of heterogeneity. With the aid of a gas minipermeameter, spatially exhaustive fields of permeability data were acquired at each of five different sample supports (i.e. sample volumes) from each block face. These data provide a unique opportunity to physically investigate the relationship between the multi-scale cross-stratified attributes of the sandstone and the corresponding statistical characteristics of the permeability. These data also provide quantitative physical information concerning the permeability upscaling of a complex heterogeneous medium. Here, a portion of the data taken from a single block face cut normal to stratification is analyzed. Results indicate a strong relationship between the calculated summary statistics and the cross-stratified structural features visible evident in the sandstone sample. Specifically, the permeability fields and semivariograms are characterized by two nested scales of heterogeneity, including a large-scale structure defined by the cross-stratified sets (delineated by distinct bounding surfaces) and a small-scale structure defined by the low-angle cross-stratification within each set. The permeability data also provide clear evidence of upscaling. That is, each calculated summary statistic exhibits distinct and consistent trends with increasing sample support. Among these trends are an increasing mean, decreasing variance, and an increasing semivariogram range. Results also clearly indicate that the different scales of heterogeneity upscale differently, with the small-scale structure being preferentially filtered from the data while the large-scale structure is preserved. Finally, the statistical and upscaling characteristics of individual cross-stratified sets were found to be very similar owing to their shared depositional environment; however, some differences were noted that are likely the result of minor variations in the sediment load and/or flow conditions between depositional events.
Shock loading techniques are often used to determine material response along a specific pressure loading curve referred to as the Hugoniot. However, many technological and scientific applications require accurate determination of dynamic material response that is off-Hugoniot, covering large regions of the equation-of-state surface. Unloading measurements from the shocked state provide off-Hugoniot information, but experimental techniques for measuring compressive off-Hugoniot response have been limited. A new pulsed magnetic loading technique is presented which provides previously unavailable information on isentropic loading of materials to pressures of several hundred kbar. This smoothly increasing pressure loading provides a good approximation to the high-pressure material isentrope centered at ambient conditions. The approach uses high current densities to create ramped magnetic loading to a few hundred kbar over time intervals of 100--200 ns. The method has successfully determined the isentropic mechanical response of copper to about 200 kbar and has been used to evaluate the kinetics of the alpha-epsilon phase transition occurring in iron at 130 kbar. With refinements in progress, the method shows promise for performing isentropic compression experiments to multi-Mbar pressures.
The impressive performance improvements of laterally oxidized VCSELs come at the expense of increased fabrication complexity for 2-dimensional arrays. Since the epitaxial layers to be wet-thermally oxidized must be exposed, non-planarity can be an issue. This is particularly important in that electrical contact to both the anode and cathode of the diode must be brought out to a package. They have investigated four fabrication sequences suitable for the fabrication of 2-dimensional VCSEL arrays. These techniques include: mesa etched polymer planarized, mesa etched bridge contacted, mesa etched oxide isolated (where the electrical trace is isolated from the substrate during the oxidation) and oxide/implant isolation (oxidation through small via holes) all of which result in VCSELs with outstanding performance. The suitability of these processes for manufacturing are assessed relative to oxidation uniformity, device capacitance, and structural ruggedness for packaging.
The Li(Si)/FeS{sub 2} and Li(Si)/CoS{sub 2} couples were evaluated with a low-melting LiBr-KBr-LiF eutectic and all-Li LiCl-LiBr-LiF electrolyte for a battery application that required both high energy and high power for short duration. Screening studies were carried out with 1.25 inch-dia. triple cells and with 10-cell batteries. The Li(Si)/LiCl-LiBr-LiF/CoS{sub 2} couple performed the best under the power load and the Li(Si)/LiCl-LiBr-LiF/FeS{sub 2} was better under the energy load. The former system was selected as the best overall performer for the wide range of temperatures for both loads, because of the higher thermal stability of CoS{sub 2}.
Vertical cavity surface emitting laser (VCSEL) sources have been adopted into Gigabit Ethernet applications in a remarkably short time period. VCSELs are particularly suitable for multimode optical fiber local area networks (LANs), due to their reduced threshold current, circular output beam, and inexpensive and high volume manufacture. Moreover, selectively oxidized VCSELs are nearly ideal LAN sources since the oxide aperture within the laser cavity produces strong electrical and optical confinement which enables high electrical to optical conversion efficiency and minimal modal discrimination allowing emission into multiple transverse optical modes. In addition to the large demand for multimode lasers, VCSELs which emit into a single optical mode are also increasingly sought for emerging applications, which include data communication with single mode optical fiber, bar code scanning, laser printing, optical read/write heads, and modulation spectroscopy. To achieve single mode selectively oxidized VCSELs is a challenging task, since the inherent index confinement within these high performance lasers is very large.
Previously, an effective index optical model was introduced for the analysis of lateral waveguiding effects in vertical-cavity surface-emitting lasers. The authors show that the resultant transverse equation is almost identical to the one typically obtained in the analysis of dielectric waveguide problems, such as a step-index optical fiber. The solution to the transverse equation yields the lateral dependence of the optical field and, as is recognized in this paper, the discrete frequencies of the microcavity modes. As an example, they apply this technique to the analysis of vertical-cavity lasers that contain thin-oxide apertures. The model intuitively explains the experimental data and makes quantitative predictions in good agreement with a highly accurate numerical model.
A new method for measuring the wavelength dependence of the transit time, material dispersion, and attenuation of an optical fiber is described. The authors inject light from a 4-ns risetime pulsed broad-band flashlamp into various length fibers and record the transmitted signals with a time-resolved spectrograph. Segments of data spanning an approximately 3,000 {angstrom} range are recorded from a single flashlamp pulse. Comparison of data acquired with short and long fibers enables the determination of the transit time and the material dispersion as functions of wavelength dependence for the entire recorded spectrum simultaneously. The wavelength dependent attenuation is also determined from the signal intensities. The method is demonstrated with experiments using a step index 200-{micro}m-diameter SiO{sub 2} fiber. The results agree with the transit time determined from the bulk glass refractive index to within {+-} 0.035% for the visible (4,000--7,200 {angstrom}) spectrum and 0.12% for the ultraviolet (2,650--4,000 {angstrom}) spectrum, and with the attenuation specified by the fiber manufacturer to within {+-} 10%.
This paper describes the author's 2- and 3-electrode impedance results of metal oxide cathodes. These results were extracted from impedance data on 18650 Li-ion cells. The impedance results indicate that the ohmic resistance of the cell is very nearly constant with state-of-charge (SOC) and temperature. For example, the ohmic resistance of 18650 Li-ion cells is around 60 m{Omega} for different SOCS (4.1V to 3.0V) and temperatures from 35 C to {minus}20 C. However, the interfacial impedance shows a modest increase with SOC and a huge increase of between 10 and 100 times with decreasing temperature. For example, in the temperature regime (35 C down to {minus}20 C) the overall cell impedance has increased from nearly 200 m{Omega} to 8,000 m{Omega}. Most of the increase in cell impedance comes from the metal oxide cathode/electrolyte interface.
Electrical and chemical measurements have been made on 18650-size lithium-ion cells that have been exposed to calendar and cycle life aging at temperatures up to 70 C. Aging times ranged from 2 weeks at the highest temperature to several months under more moderate conditions. After aging, the impedance behavior of the cells was reversed from that found originally, with lower impedance at low state of charge and the total impedance was significantly increased. Investigations using a reference electrode showed that these changes are primarily due to the behavior of the cathode. Measurements of cell impedance as a function of cell voltage reveal a pronounced minimum in the total impedance at approximately 40--50% state-of-charge (SOC). Chemical analysis data are presented to support the SOC assignments for aged and unaged cells. Electrochemical impedance spectroscopy (EIS) data have been recorded at several intermediate states of charge to construct the impedance vs. open circuit voltage curve for the cell. This information has not previously been available for the LiNi{sub 0.85}Co{sub 0.15}O{sub 2} cathode material. Structural and chemical analysis information obtained from cell components removed during postmortems will also be discussed in order to reveal the true state of charge of the cathode and to develop a more complete lithium inventory for the cell.
The authors have developed a new experimental approach for measuring hysteresis in the adhesion between micromachined surfaces. By accurately modeling the deformations in cantilever beams that are subject to combined interfacial adhesion and applied electrostatic forces, they determine adhesion energies for advancing and receding contacts. They draw on this new method to examine adhesion hysteresis for silane coated micromachined structures and found significant hysteresis for surfaces that were exposed to high relative humidity (RH) conditions. Atomic force microscopy studies of these surfaces showed spontaneous formation of agglomerates that they interpreted as silages that have irreversibly transformed from uniform surface layers at low RH to isolated vesicles at high RH. They used contact deformation models to show that the compliance of these vesicles could reasonably account for the adhesion hysteresis that develops at high RH as the surfaces are forced into contact by an externally applied load.
Formation energies and vibrational frequencies for H in wurtzite GaN were calculated from density functional theory and used to predict equilibrium state occupancies and solid solubilities for p-type, intrinsic, and n-type material. The solubility of deuterium (D) was measured at 600--800 C as a function of D{sub 2} pressure and doping and compared with theory. Agreement was obtained by reducing the H formation energies 0.2 eV from ab-initio theoretical values. The predicted stretch-mode frequency for H bound to the Mg acceptor lies 5% above an observed infrared absorption attributed to this complex. It is concluded that currently recognized H states and physical processes account for the equilibrium behavior of H examined in this work.
This paper analyzes the scalability limitations of networking technologies based on the Virtual Interface Architecture (VIA) in supporting the runtime environment needed for an implementation of the Message Passing Interface. The authors present an overview of the important characteristics of VIA and an overview of the runtime system being developed as part of the Computational Plant (Cplant) project at Sandia National Laboratories. They discuss the characteristics of VIA that prevent implementations based on this system to meet the scalability and performance requirements of Cplant.
The authors report here the design, fabrication and demonstration of an electrostatically actuated MEMS diffractive optical device, the Polychromator grating. The Polychromator grating enables a new type of correlation spectrometer for remote detection of a wide range of chemical species, offering electronic programmability, high specificity and sensitivity, fast response and ruggedness. Significant results include: (1) The first demonstrations of user-defined synthetic spectra in the 3-5 {micro}m wavelength regime based upon controlled deflection of individual grating elements in the Polychromator grating; (2) The first demonstration of gas detection by correlation spectroscopy using synthetic spectra generated by the Polychromator grating.
Most mechanical and structural failures can be formulated as first passage problems. The traditional approach to first passage analysis models barrier crossings as Poisson events. The crossing rate is established and used in the Poisson framework to approximate the no-crossing probability. While this approach is accurate in a number of situations, it is desirable to develop analysis alternatives for those situations where traditional analysis is less accurate and situations where it is difficult to estimate parameters of the traditional approach. This paper develops an efficient simulation approach to first passage failure analysis. It is based on simulation of segments of complex random processes with the Karhunen-Loeve expansion, use of these simulations to estimate the parameters of a Markov chain, and use of the Markov chain to estimate the probability of first passage failure. Some numerical examples are presented.
The authors describe the integration of an array of surface acoustic wave delay line chemical sensors with the associated RF microelectronics such that the resulting device operates in a DC in/DC out mode. The microelectronics design for on-chip RF generation and detection is presented. Both hybrid and monolithic approaches are discussed. This approach improves system performance, simplifies packaging and assembly, and significantly reduces overall system size. The array design can be readily scaled to include a large number of sensors.
Self-assembled monolayers (SAMS) are commonly produced by immersing substrates in organic solutions containing trichlorosilane coupling agents. Unfortunately, such deposition solutions can also form alternate structures including inverse micelles and lamellar phases. The formation of alternate phases is one reason for the sensitivity of SAM depositions to factors such as the water content of the deposition solvent. If such phases are present, the performance of thin films used for applications such as minimization of friction and stiction in micromachines can be seriously compromised. Inverse micelle formation has been studied in detail for depositions involve 1H-, 1H-, 2H-, 2H-perfluorodecyltrichlorosilane (FDTS) in isooctane. Nuclear magnetic resonance experiments have been used to monitor the kinetics of hydrolysis and condensation reactions between water and FDTS. Light scattering experiments show that when hydrolyzed FDTS concentrations reach a critical concentration, there is a burst of nucleation to form high concentrations of spherical agglomerates. Atomic force microscopy results show that the agglomerates then deposit on substrate surfaces. Deposition conditions leading to monolayer formation involve using deposition times that are short relative to the induction time for agglomeration. After deposition, inverse micelles can be converted into lamellar or monolayer structures with appropriate heat treatments if surface concentrations are relatively low.
The authors have constructed a quasi-analytic model of the dynamic hohlraum. Solutions only require a numerical root solve, which can be done very quickly. Results of the model are compared to both experiments and full numerical simulations with good agreement. The computational simplicity of the model allows one to find the behavior of the hohlraum temperature as a function the various parameters of the system and thus find optimum parameters as a function of the driving current. The model is used to investigate the benefits of ablative standoff and axial convergence.