Relatively straightforward changes in the optical design of a conventional optically recording velocity interferometer system (ORVIS) can be used to produce a line-imaging velocity interferometer wherein both temporal and spatial resolution can be adjusted over a wide range. As a result line-imaging ORVIS can be tailored to a variety of specific applications involving dynamic deformation of heterogeneous materials as required by the characteristic length scale of these materials (ranging from a few {micro}m for ferroelectric ceramics to a few mm for concrete). A line-imaging ORVIS has been successfully interfaced to the target chamber of a compressed gas gun driver and fielded on numerous tests in combination with simultaneous measurements using a dual delay-leg, ''push-pull'' VISAR system. These tests include shock loading of glass-reinforced polyester composites, foam reverberation experiments (measurements at the free surface of a thin aluminum plate impacted by foam), and measurements of dispersive velocity in a shock-loaded explosive simulant (sugar). Comparison of detailed spatially-resolved material response to the spatially averaged VISAR measurements will be discussed.
The microrheology of liquid foams is discussed for two different regimes: static equilibrium where the capillary number Ca is zero, and the viscous regime where viscosity and surface tension are important and Ca is finite. The Surface Evolver is used to calculate the equilibrium structure of wet Kelvin foams and dry soap froths with random structure, i.e., topological disorder. The distributions of polyhedra and faces are compared with the experimental data of Matzke. Simple shearing flow of a random foam under quasistatic conditions is also described. Viscous phenomena are explored in the context of uniform expansion of 2D and 3D foams at low Reynolds number. Boundary integral methods are used to calculate the influence of Ca on the evolution of foam microstructure, which includes bubble shape and the distribution of liquid between films, Plateau borders, and (in 3D) the nodes where Plateau borders meet. The micromechanical point of view guides the development of structure-property-processing relationships for foams.
The Baer-Nunziato multiphase reactive theory for a granulated bed of energetic material is extended to allow for dynamic damage processes, that generate new surfaces as well as porosity. The Second Law of Thermodynamics is employed to constrain the constitutive forms of the mass, momentum, and energy exchange functions as well as those for the mechanical damage model ensuring that the models will be dissipative. The focus here is on the constitutive forms of the exchange functions. The mechanical constitutive modeling is discussed in a companion paper. The mechanical damage model provides dynamic surface area and porosity information needed by the exchange functions to compute combustion rates and interphase momentum and energy exchange rates. The models are implemented in the CTH shock physics code and used to simulate delayed detonations due to impacts in a bed of granulated energetic material and an undamaged cylindrical sample.
This report defines and defends the basic framework, methodology, and associated input parameters for modeling plant uptake of radionuclides for use in Performance Assessment (PA) activities of Radioactive Waste Management Sites (RWMS) at the Nevada Test Site (NTS). PAs are used to help determine whether waste disposal configurations meet applicable regulatory standards for the protection of human health, the environment, or both. Plants adapted to the arid climate of the NTS are able to rapidly capture infiltrating moisture. In addition to capturing soil moisture, plant roots absorb nutrients, minerals, and heavy metals, transporting them within the plant to the above-ground biomass. In this fashion, plant uptake affects the movement of radionuclides. The plant uptake model presented reflects rooting characteristics important to plant uptake, biomass turnover rates, and the ability of plants to uptake radionuclides from the soil. Parameters are provided for modeling plant uptake and estimating surface contaminant flux due to plant uptake under both current and potential future climate conditions with increased effective soil moisture. The term ''effective moisture'' is used throughout this report to indicate the soil moisture that is available to plants and is intended to be inclusive of all the variables that control soil moisture at a site (e.g., precipitation, temperature, soil texture, and soil chemistry). Effective moisture is a concept used to simplify a number of complex, interrelated soil processes for which there are too little data to model actual plant available moisture. The PA simulates both the flux of radionuclides across the land surface and the potential dose to humans from that flux. Surface flux is modeled here as the amount of soil contamination that is transferred from the soil by roots and incorporated into aboveground biomass. Movement of contaminants to the surface is the only transport mechanism evaluated with the model presented here. Parameters necessary for estimating surface contaminant flux due to native plants expected to inhabit the NTS RWMSS are developed in this report. The model is specific to the plant communities found at the NTS and is designed for both short-term (<1,000 years) and long-term (>1,000 years) modeling efforts. While the model has been crafted for general applicability to any NTS PA, the key radionuclides considered are limited to the transuranic (TRU) wastes disposed of at the NTS.
Most HLW programs in the world recognize that any estimate of long-term radiological performance must be couched in terms of the uncertainties derived from natural variation, changes through time and lack of knowledge about the essential processes. The Japan Nuclear Cycle Development Institute followed a relatively standard procedure to address two major categories of uncertainty. First, a FEatures, Events and Processes (FEPs) listing, screening and grouping activity was pursued in order to define the range of uncertainty in system processes as well as possible variations in engineering design. A reference and many alternative cases representing various groups of FEPs were defined and individual numerical simulations performed for each to quantify the range of conceptual uncertainty. Second, parameter distributions were developed for the reference case to represent the uncertainty in the strength of these processes, the sequencing of activities and geometric variations. Both point estimates using high and low values for individual parameters as well as a probabilistic analysis were performed to estimate parameter uncertainty. A brief description of the conceptual model uncertainty analysis is presented. This paper focuses on presenting the details of the probabilistic parameter uncertainty assessment.
Dose calculations were performed using the MELCOR Accident Consequence Code System (MACCS) to support safety analyses for the Los Alamos Neutron Science Center (LANSCE) facility. The LANSCE facility is operated and maintained at Los Alamos National Laboratory (LANL) and will be used to conduct experiments for the U.S. Department of Energy (DOE) to investigate the use of accelerators to produce tritium. This paper focuses on tbe methodology adopted in tbe evaluation of doses from potential accidental releases of radioactive material from the LANSCE facility. Some results of the dose calculations are presented. Also discussed are the important features of an isotope screening process developed for this application to limit the number of consequence calculations.
Alumina (94 and 99.8% grade compositions) was brazed directly to itself with gold-based active brazing alloys (ABA's) containing vanadium additions of 1,2 and 3 weight percent. The effects of brazing conditions on the joint properties were investigated. Wetting behavior, interfacial reactions, microstructure, hermeticity and tensile strength were determined. Wetting was fair to good for the ABA and base material combinations. Microanalysis identified a discontinuous Al-V-O spinel reaction product at the alumina-braze interface. Tensile strength results for 94% alumina were uniformly good and generally not sensitive to the vanadium concentration, with tensile values of 85-105 MPa. There was more variability in the 99.8% alumina strength results, with values ranging from 25-95 MPa. The highest vanadium concentration (3 wt. %) yielded the highest joint strength for the brazed 99.8% alumina. Failures in the 99.8% alumina samples occurred at the braze-alumina interface, while the 94% alumina specimens exhibited fracture of the ceramic substrate.
This paper presents a viscoplasticity model taking into account the effects of change in grain or phase size and damage on the characterization of creep damage in 60Sn-40Pb solder. Based on the theory of damage mechanics, a two-scalar damage model is developed for isotropic materials by introducing the free energy equivalence principle. The damage evolution equations are derived in terms of the damage energy release rates. In addition, a failure criterion is developed based on the postulation that a material element is said to have ruptured when the total damage accumulated in the element reaches a critical value. The damage coupled viscoplasticity model is discretized and coded in a general-purpose finite element program known as ABAQUS through its user-defined material subroutine UMAT. To illustrate the application of the model, several example cases are introduced to analyze, both numerically and experimentally, the tensile creep behaviors of the material at three stress levels. The model is then applied to predict the deformation of a notched specimen under monotonic tension at room temperature (22 C). The results demonstrate that the proposed model can successfully predict the viscoplastic behavior of the solder material.
Alliance for Photonic Technology/Industrial Quarterly
Dawes Jr., William R.
The US Department of Energy and its national laboratories are a major employer of scientists and engineers and consequently have a strong interest in the development and training of a qualified pool of employment candidates. For many years the DOE and its national laboratories have supported education activities devoted to increasing the number and quality of science and engineering graduates. This is part of the DOE mission because of the critical national need for scientists and engineers and the recognized deficiencies in the education system for science and mathematics training. Though funding support for such activities has waxed and waned, strong education programs have survived in spite of budget pressures. This paper reviews a few of the education programs presently supported at Sandia by the Science and Technology Outreach Department. The US DOE Defense Programs Office and Sandia National Laboratories provide financial support for these education activities.
The US DOE, with technical assistance from Sandia National Laboratories, has successfully received EPA certification and opened the Waste Isolation Pilot Plant (WIPP), a nuclear waste disposal facility located approximately 42 km east of Carlsbad, New Mexico. Performance assessment analyses indicate that human intrusions by inadvertent, intermittent drilling for resources provide the only credible mechanisms for releases of radionuclides from the disposal system. In modeling long-term brine releases, subsequent to a drilling event, potential migration pathways through the permeable layers of rock above the Salado formation were analyzed. Major emphasis is placed on the Culebra Member of the Rustler Formation because this is the most transmissive geologic layer overlying the WIPP site. In order to help quantify parameters for the calculated releases, radionuclide transport experiments have been earned out using intact-core columns obtained from the Culebra dolomite member of the Rustler Formation within the WIPP site. This paper deals primarily with results of analyses for {sup 241}Pu and {sup 241}Am distributions developed during transport experiments in one of these cores. Transport experiments were done using a synthetic brine that simulates Culebra brine at the core recovery location (the WIPP air-intake shaft--AIS). Hydraulic characteristics (i.e., apparent porosity and apparent dispersion coefficient) for intact-core columns were obtained via experiments using the conservative tracer {sup 22}Na. Elution experiments carried out over periods of a few days with tracers {sup 232}U and {sup 239}Np indicated that these tracers were weakly retarded as indicated by delayed elution of the species. Elution experiments with tracers {sup 241}Pu and {sup 241}Am were attempted, but no elution of either species has been observed to date, including experiments of many months' duration. In order to quantify retardation of the non-eluted species {sup 241}Pu and {sup 241}Am after a period of brine flow, non-destructive and destructive analyses of one intact-core column were carried out to determine distribution of these actinides in the rock. Analytical results indicate that the majority of the {sup 241}Am remained very near the injection surface of the core (possibly as a precipitate), and that the majority of the {sup 241}Pu was dispersed with a very high apparent retardation value. The {sup 241}Pu distribution is interpreted using a single-porosity advection-dispersion model, and an approximate retardation value is reported.
This paper presents an open-loop control method for suppressing payload oscillation or swing caused by operator commanded maneuvers in rotary boom cranes and the method is experimentally verified on a one-sixteenth scale model of a Hagglunds shipboard crane. The crane configuration consists of a payload mass that swings like a spherical pendulum on the end of a lift-line which is attached to a boom capable of hub rotation (slewing) and elevation (luffing). Positioning of the payload is accomplished through the hub and boom angles and the load-line length. Since the configuration of the crane affects the excitation and response of the payload, the swing control scheme must account for the varying geometry of the system. Adaptive forward path command filters are employed to remove components of the command signal which induce payload swing.
Atom-by-atom and concerted hopping of ad-dimers on the open (100) surface of fcc metals are studied by means of density-functional calculations. The adatom interaction is relatively short-ranged, and beyond next-nearest neighbors ad-dimers are effectively dissociated. Diffusion takes place by a simple shearing process, favored because it maximizes adatom coordination at the transition state This holds for Al, Au, and Rh, and is likely a general result because geometrical arguments dominate over details of the electronic structure.
We demonstrate high critical current density superconducting films of YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} (YBCO) and Tl{sub 2}Ba{sub 2}CaCu{sub 2}O{sub 8{minus}{delta}} (Tl-2212) using LaNiO{sub 3} (LNO) buffer layers. YBCO films grown on an LNO buffer layer have only a slightly lower J{sub c} (5K, H=0) than films grown directly on a bare LaAlO{sub 3} substrate. It is noteworthy that YBCO films grown on LNO buffer layers exhibit minor microstructural disorder and enhanced flux pinning. LNO-buffered Tl-2212 samples show large reductions in J{sub c} at all temperatures and fields compared to those grown on bare LaAlO{sub 3}, correlating to both a-axis grain and nonsuperconducting phase formation. With additional optimization, LNO could be a promising buffer layer for both YBCO and Tl-based superconducting films, perhaps ideally suited for coated conductor applications.
The set of laws developed and presented here is by no means exhaustive. Techniques have been present to aid in the development of additional scaling laws and to combine these and other laws to produce additional useful relationships. Some of the relationships produced here have yielded perhaps surprising results. Examples include the fifth order scaling law for electromagnetic motor torque and the zero order scaling law for capacitive motor power. These laws demonstrate important facts about actuators in small-scale systems. The primary intent of this introduction into scaling law analysis is to provide needed tools to examine possible areas of the research in small-scale systems and direct research toward more fruitful areas. Numerous examples have been included to show the validity of developing scaling laws based on first principles and how real world systems tend to obey these laws even when many other variables may potentially come into play. Development of further laws may well serve to provide important high-level direction to the continued development of small-scale systems.
By studying model polymeric networks which only differ in their connectivity, the connectivity is shown to strongly control the stress-strain response and failure modes. The sequence of molecular structural deformations that lead to failure are strongly dependent upon the network connectivity. A set of ideal, ordered networks are constructed to manipulate the deformation sequence to achieve a variety of adhesive qualities. Compared to random, dynamically formed networks, these ideal networks can be made to have either much larger or smaller failure stresses and strains. Unlike the random networks, the failure stress of an ideal network can be made close to the ideal stress equal to breaking all bonds to the substrate. By varying the number of bonds to the surface, the failure mode can be controlled to be either adhesive or cohesive.
The mission of international cooperation is defined in the Comprehensive Nuclear-Test-Ban Treaty (CTBT). Ways and means of implementation were the subject of discussion during the International Cooperation Workshop held in Vienna in November 1998, and during the Regional Workshop for CTBTO International Cooperation held in Cairo, Egypt in June 1999. In particular, a database of ''Scientific and Technical Meetings Directly or Indirectly Related to CTBT Verification-Related Technologies'' was developed by the CTBTO PrepCom/PTS/International Cooperation section and integrated into the organization's various web sites in cooperation with the U.S. Department of Energy CTBT Research and Development Program. This database, the structure and use of which is described in this paper/presentation is meant to assist the CTBT-related scientific community in identifying worldwide expertise in the CTBT verification-related technologies and should help experts, particularly those of less technologically advanced States Signatories, to strengthen contacts and to pursue international cooperation under the Tredy regime. Specific opportunities for international cooperation, in particular those provided by active participation in the use and further development of this database, are presented in this paper and/or presentation.
A novel type of glass made with a double ion exchange process is more reliable and fractures in a unique manner compared to glass currently available in the market. The novel glass is unique because it disintegrates into a powder instead of fracturing into shards and splinters, and it fails over a very narrow range of stresses. Potential applications for this glass include using it in removable valves because the powdered glass does not produce obstructions when it breaks, and in other applications that require safety glass. A 20,000-psi MTS pressure system was used to determine the possible techniques for pressure testing the strength of a collection of disk-shaped glass samples. Ordinary (i.e., not ion exchanged) glass samples, 0.962 inches in diameter and 0.07 inches thick, were fractured with linearly increasing pressures to determine the best methods. The best method for testing novel glass samples, with the same size and shape as the ordinary glass, will be implemented. The final results of this ongoing project will be used to ascertain if the novel glass is suitable for potential applications.
Shyr, Lih-Jenn; Neuhauser, Sieglinde; Mills, Scott; Massey, Charles
There is a growing interest in understanding the potential consequences of malevolent acts against shipments of nuclear waste and/or material. Recently, Sandia National Laboratories (SNL) conducted a study' to evaluate the potential source terms available for release in a sabotage event for spent fuel shipments. Using these source terms, we developed an approach to assess the potential radiological consequences of the hypothesized events and to compare them to consequences of transportation accidents involving the same types of shipments. Our analysis showed that there could be orders of magnitude differences in consequence for urban, suburban, and rural events. Sabotage consequences could be orders of magnitude higher than those of transportation accidents with a probability of 10{sup {minus}12} or higher and be similar to events with a probability less than 10{sup {minus}12}. Also, explosive-induced buoyancy would disperse the source further out than a non-buoyant release in a transportation accident, which, therefore, would have a higher dose near the release point.
Polymerization of organotrialkoxysilanes is a convenient method for introducing organic functionality into hybrid organic-inorganic materials. However, not much is known about the effects of the organic substituent on the porosity of the resulting xerogels. In this study, we prepared a series of polysilsesquioxane xerogels from organotrialkoxysilanes, RSi(OR{sup 1}){sub 3}, with different organic groups (R = H, Me, Et dodecyl, hexadecyl, octadecyl, vinyl, chloromethyl, (p-chloromethyl) phenyl, cyanoethyl). Polymerizations of the monomers were carried out under a variety of conditions, varying monomer concentration, type of catalyst, and alkoxide substituent. The effect of the organic substituent on the sol-gel process was often dramatic. In many cases, gels were formed only at very high monomer concentration and/or with only one type of catalyst. All of the gels were processed as xerogels and characterized by scanning electron microscopy and nitrogen sorption porosimetry to evaluate their pore structure.
A new test methodology is described which allows access to loading rates that lie between split Hopkinson bar and shock-loading techniques. Gas gun experiments combined with velocity interferometry techniques have been used to experimentally determine the intermediate strain-rate loading behavior of Coors AD995 alumina and Cercom silicon-carbide rods. Graded-density materials have been used as impactors; thereby eliminating the tension states generated by the radial stress components during the loading phase. Results of these experiments demonstrate that the time-dependent stress pulse generated during impact allows an efficient transition from the initial uniaxial strain loading to a uniaxial stress state as the stress pulse propagates through the rod. This allows access to intermediate loading rates over 5 x 10{sup 3}/s to a few times 10{sup 4}/s.
Use of Gulf Coast salt domes for construction of very large storage caverns by solution mining has grown significantly in the last several decades. In fact, a nationally important Strategic Petroleum Reserve (SPR) storage occurs in large cavern arrays in some of these domes. Although caverns have been operated economically for these many years, these caverns have a range of relatively poorly understood behaviors, involving creep closure fluid loss and damage from salt falls. It is certainly possible to postulate that many of these behaviors stem from geomechanical or deformational aspects of the salt response. As a result, a method of correlating the cavern response to mechanical creep behavior as determined in the laboratory could be of considerable importance. Recently, detailed study of the creep response of domal salts has cast some insight into the influence of different salt origins on cavern behavior. The study used a simple graphical analysis of the limited non-steady state data to give a bound, or an approach to steady state, as an estimate of the steady state behavior of a given domal salt. This permitted the analysis of sparse creep databases for domal salts. It appears that a shortcoming of the steady state analysis was in masking some of the salt material differences. In an attempt to overcome the steady state analysis shortcomings, a method was developed based on the integration of the Multimechanism-Deformation (M-D) creep constitutive model to fit the transient response. This integration process essentially permits definition of the material sensitive parameters of the model, while those parameters that are either constants or material insensitive parameters are fixed independently. The transient analysis method has proven more sensitive to differences in the creep characteristics and has provided a way of defining different behaviors within a given dome. Creep characteristics, as defined by the transient analysis of the creep rate, are related quantitatively to the volume loss creep rate of the caverns. This type of understanding of the domal material creep response already has pointed to the possibility of establishing various distinct material spines within a given dome. Furthermore, if the creep databases for domal salts can be expanded, one could expect additional definition of domal geology and structure.
Statistical concepts, methods, and tools are often used in the implementation of statistical thinking. Unfortunately, statistical tools are all too often misused by not applying them in the context of statistical thinking that focuses on processes, variation, and data. The consequences of this misuse may be ''data torturing'' or going beyond reasonable interpretation of the facts due to a misunderstanding of the processes creating the data or the misinterpretation of variability in the data. In the hope of averting future misuse and data torturing, examples are provided where the application of common statistical tools, in the absence of statistical thinking, provides deceptive results by not adequately representing the underlying process and variability. For each of the examples, a discussion is provided on how applying the concepts of statistical thinking may have prevented the data torturing. The lessons learned from these examples will provide an increased awareness of the potential for many statistical methods to mislead and a better understanding of how statistical thinking broadens and increases the effectiveness of statistical tools.
This article summarizes our investigations of tethered chain systems using Langmuir monolayer of polydimethysiloxane-poly styrene (PDMS-PS) diblock copolymers on organic liquids. In this system, the PDMS block adsorbs to the air surface while the PS block dangles into the subphase liquid. The air surface can be made either repulsive or attractive for the tethered PS chain segments by choosing a subphase liquid which has a surface tension lower or greater than that of PS, respectively. The segment profile of the PS block is determined by neutron reflection as a function of the surface density, the molecular weights of the PS and PDMS blocks, and the solution conditions. We cover the range of reduced surface density (SIGMA) characteristic of the large body of data in the literature for systems of chains tethered onto solid surfaces from dilute solution in good or theta solvent conditions (SIGMA < 12). We emphasize quantitative comparisons with analytical profile forms and scaling predictions. We find that the strong-stretching limit invoked in analytical SCF and scaling theories is not valid over this Z range. On the other hand, over a large portion of this range (SIGMA < 5) tethered layers are well described by a renormalization group theory addressing weakly interacting or noninteracting chains. Simultaneous with the study of the profile form, the free energy of the chains is examined through the surface tension. A strong increase in the surface pressure is observed with increasing surface density which determines the maximum surface density which can be achieved. This apparently nonequilibrium effect is attributed to steric interactions and limited lateral interpenetration. This effect may explain several outstanding discrepancies regarding the adsorption of end-functionalized chains and diblock copolymers onto solid surfaces.
The Puerto Rico Electric Power Authority (PREPA) installed a battery energy storage system in 1994 at a substation near San Juan, Puerto Rico. It was patterned after two other large energy storage systems operated by electric utilities in California and Germany. The Puerto Rico facility is presently the largest operating battery storage system in the world and has successfully provided frequency control, voltage regulation, and spinning reseme to the Caribbean island. The system further proved its usefulness to the PREPA network in the fall of 1998 in the aftermath of Hurricane Georges. However, the facility has suffered accelerated cell failures in the past year and PREPA is committed to restoring the plant to full capacity. This represents the first repowering of a large utility battery facility. PREPA and its vendors and contractors learned many valuable lessons during all phases of project development and operation, which are summarized in this paper.
Recycling of the spent rinse water discharged from the wet benches commonly used in semiconductor processing is one tactic for responding to the targets for water usage published in the 1997 National Technology Roadmap for Semiconductors (NTRS). Not only does the NTRS list a target that dramatically reduces total water usage/unit area of silicon manufactured by the industry in the future but for the years 2003 and beyond, the NTRS actually touts goals which would have semiconductor manufacturers drawing less water from a regional water supply per unit area of silicon manufactured than the quantity of ultrapure water (UPW) used in the production of that same silicon. Achieving this latter NTRS target strongly implies more widespread recycling of spent rinse waters at semiconductor manufacturing sites. In spite of the fact that, by most metrics, spent rinse waters are of much higher purity than incoming municipal waters, recycling of these spent rinse waters back into the UPW production plant is not a simple, straightforward task. The rub is that certain of the chemicals used in semiconductor manufacturing, and thus potentially present in trace concentrations (or more) in spent rinse waters, are not found in municipal water supplies and are not necessarily removed by the conventional UPW production sequence used by semiconductor manufacturers. Some of these contaminants, unique to spent rinse waters, may actually foul the resins and membranes of the UPW system, posing a threat to UPW production and potentially even causing a shutdown.
Two and three electrode impedance measurements were made on 18650 Li-ion cells at different QB temperatures ranging from 35 C to {minus}40 C. The ohmic resistance of the cell is nearly constant the temperature range studied although the total cell impedance increases by an order of magnitude in the same temperature range. In contrast to what is commonly believed, we show from our three-electrode impedance results that, the increase in cell impedance comes mostly from the cathode and not from the anode. Further, the anode and cathode contribute to both the impedance loops (in the NyQuist plot).
XPS studies have been carried out on sputter deposited copper on a substantially hydroxylated {alpha}-Al{sub 2}O{sub 3}(0001) (sapphire) surface under ultra-high vacuum (UHV) conditions. XPS-derived Cu uptake curves show a sharp change in slope at a coverage of 0.35 monolayer (on a Cu/O atomic basis), indicative of initial layer-by-layer growth. CU(LMM) lineshape data indicate that, prior to the first break in the curve, Cu is oxidized to Cu(I). At higher coverages, metallic CU(0) is. observed. These data agree with first principles theoretical calculations, indicating that the presence of ad-hydroxyl groups greatly enhances the binding of Cu to bulk sapphire surfaces, stabilizing Cu(I) adatoms over two-dimensional metallic islands. In the absence of hydroxylation, calculations indicate significantly weaker Cu binding to the bulk sapphire substrate and non-wetting. Calculations also predict that at Cu coverages above 1/3 monolayer (ML), Cu-Cu interactions predominate, leading to Cu(0) formation. These results are in excellent agreement with experiment. The ability of surface hydroxyl groups to enhance binding to alumina substrates suggests a reason for contradictory experimental results reported in the literature for Cu wetting of alumina.
Quartz crystal microbalance techniques and in situ spectroscopic ellipsometry are used to probe the structure-dependent intrinsic viscoelastic properties of self-assembled CH{sub 3}(CH{sub 2}){sub 8}SH alkanethiol monolayer adsorbed from the gas phase onto Au(111)-textured substrates. Physisorbed molecules, mixed chemisorbed-fluid/solid phases and solid-phase domain boundaries make sequentially dominant contributions to the measured energy dissipation in the growing monolayer. Deviations from Langmuir adsorption kinetics reveal a precursor-mediated adsorption channel. These studies reveal the impact of structural heterogeneity in tribological studies of monolayer lubricants.
In this paper, we include for discussion three topics of current interest in metal oxide surface science. Using first principles density functional theory (DFT) [1] calculations, we have investigated: (1) the atomic-scale structure of experimentally-relevant ultrathin alumina films, (2) the role of common point defects in metal island nucleation on oxide terraces, and (3) the growth and morphology of metals on oxide surfaces which have high concentrations of a common impurity.
Pressure studies have provided new insights into the physics of compositionally-disordered ABO{sub 3} oxide relaxors. Specifically results are presented and discussed on a pressure-induced ferroelectric-to-relaxor crossover phenomenon, the continuous evolution of the energetics and dynamics of the relaxation process, and the interplay between pressure and electric field in determining the dielectric response.
We report propane dehydrogenation behavior of catalysts prepared using two novel synthesis strategies that combine inverse micelle Pt nanocluster technology with silica and alumina sol-gel processing. Unlike some other sol-gel catalyst preparations. Pt particles in these catalysts are not encapsulated in the support structure and the entire Pt particle surface is accessible for reaction. Turnover frequencies (TOF) for these catalysts are comparable to those obtained over Pt catalysts prepared by traditional techniques such as impregnation, yet the resistance to deactivation by carbon poisoning is much greater in our catalysts. The deactivation behavior is more typical of traditionally prepared PtSn catalysts than of pure Pt catalysts.
The effect of higher-order corrections to the Born approximation is studied for the previously obtained giant conductance enhancement in tunnel-coupled double quantum wires in a parallel magnetic field. The relative correction is found to be significant and depends on various effects such as the magnetic field, electron and impurity densities, impurity positions, symmetric and asymmetric doping profiles, and center barrier thickness.
Fluids adsorbed near surfaces, macromolecules, and in porous materials are inhomogeneous, inhibiting spatially varying density distributions. This inhomogeneity in the fluid plays an important role in controlling a wide variety of complex physical phenomena including wetting, self-assembly, corrosion, and molecular recognition. One of the key methods for studying the properties of inhomogeneous fluids in simple geometries has been density functional theory (DFT). However, there has been a conspicuous lack of calculations in complex 2D and 3D geometries. The computational difficulty arises from the need to perform nested integrals that are due to nonlocal terms in the free energy functional These integral equations are expensive both in evaluation time and in memory requirements; however, the expense can be mitigated by intelligent algorithms and the use of parallel computers. This paper details our efforts to develop efficient numerical algorithms so that no local DFT calculations in complex geometries that require two or three dimensions can be performed. The success of this implementation will enable the study of solvation effects at heterogeneous surfaces, in zeolites, in solvated (bio)polymers, and in colloidal suspensions.
In a previous companion paper, we presented the details of our algorithms for performing nonlocal density functional theory (DFT) calculations in complex 2D and 3D geometries. We discussed scaling and parallelization, but did not discuss other issues of performance. In this paper, we detail the precision of our methods with respect to changes in the mesh spacing. This is a complex issue because given a Cartesian mesh, changes in mesh spacing will result in changes in surface geometry. We discuss these issue using a series of rigid solvated polymer models including square rod polymers, cylindrical polymers, and bead-chain polymers. By comparing the results of the various models, it becomes clear that surface curvature or roughness plays an important role in determining the strength of structural solvation forces between interacting solvated polymers. The results in this paper serve as benchmarks for future application of these algorithms to complex fluid systems.
This paper summarizes the results of the studies of the irradiation-induced formation of nanostructures, where the injected interstitials from the source of irradiation are not major components of the nanophase. This phenomena has been observed by in situ transmission electron microscopy (TEM) in a number of intermetallic compounds and ceramics during high-energy electron or ion irradiations when the ions completely penetrate through the specimen. Beginning with single crystals, electron or ion irradiation in a certain temperature range may result in nanostructures composed of amorphous domains and nanocrystals with either the original composition and crystal structure or new nanophases formed by decomposition of the target material. The phenomenon has also been observed in natural materials which have suffered irradiation from the decay of constituent radioactive elements and in nuclear reactor fuels which have been irradiated by fission neutrons and other fission products. The mechanisms involved in the process of this nanophase formation are discussed in terms of the evolution of displacement cascades, radiation-induced defect accumulation, radiation-induced segregation and phase decomposition, as well as the competition between irradiation-induced amorphization and recrystallization.
Ashby, Carol I.H.; Baca, Albert G.; Chang, P.C.; Hafich, M.J.; Hammons, B.E.; Zavadil, Kevin R.
A new air-stable electronic surface passivation for GaAs and other III-V compound semiconductors that employs sulfur and a suitable metal ion, e.g., Zn, and that is robust towards plasma dielectric deposition has been developed. Initial improvements in photoluminescence are twice that of S-only treatments and have been preserved for >11 months with SiO{sub x}N{sub y} dielectric encapsulation. Photoluminescence and X-ray photoelectron spectroscopies indicate that the passivation consists of two major components with one being stable for >2 years in air. This process improves heterojunction bipolar transistor current gain for both large and small area devices.
Geothermal research study at Sandia National Laboratories has conducted a program in slimhole drilling research since 1992. Although our original interest focused on slim holes as an exploration method, it has also become apparent that they have substantial potential for driving small-scale, off-grid power plants. This paper summarizes Sandia's slim-hole research program, describes technology used in a ''typical'' slimhole drilling project, presents an evaluation of using slim holes for small power plants, and lists some of the research topics that deserve further investigation.
Low temperature electrical performance characteristics of A and T, Moli, and Panasonic 18650 Li-ion cells are described. Ragone plots of energy and power data of the cells for different temperatures from 25 C to {minus}40 C are compared. Although the electrical performance of these cells at and around room temperature is respectable, at temperatures below 0 C the performance is poor. For example, the delivered power and energy densities of the Panasonic cells at 25 C are {approximately}800 W/l and {approximately}100 Wh/l respectively and those at {minus}40 C are <10 W/l and {approximately}5 Wh/l. In order to identify the source for this poor performance at subambient temperatures, both 2- and 3-electrode impedance studies were made on these cells. The 2-electrode impedance data suggests that the cell ohmic resistance remains nearly constant from 25 C to {minus}20 C but increases modestly at {minus}40 C while the overall cell impedance increases by an order of magnitude over the same temperature range. The 3-electrode impedance data of the A and T cells show that the increase in cell resistance comes mostly from the cathode electrolyte interface and very little either from the anode electrolyte interface or from the ohmic resistance of the cell. This suggests that the poor performance of the cells comes mainly from the high cathode/electrolyte interfacial impedance.
Francke, Chris T.; Hansen, Frank D.; Knowles, M.K.; Patchet, Stanley J.; Rempe, Norbert T.
The Waste Isolation Pilot Plant (WIPP) is the first nuclear waste repository certified by the United States Environmental Protection Agency. Success in regulatory compliance resulted from an excellent natural setting for such a repository, a facility with multiple, redundant safety systems, and from a rigorous, transparent scientific and technical evaluation. The WIPP story, which has evolved over the past 25 years, has generated a library of publications and analyses. Details of the multifaceted program are contained in the cited references. Selected geotechnical highlights prove the eminent suitability of the WIPP to serve its congressionally mandated purpose.
The purpose of this panel is to present different perspectives and opinions regarding the issues surrounding why software should or shouldn't be entrusted with critical (high consequence) functionality.
Measurements of dielectric breakdown during high-field electrical stress are typically performed at or near room temperature via constant voltage or current stress methods. In this summary they explore whether useful information might also be obtained by performing current measurements during a temperature ramp at high electric field.
High gain photoconductive semiconductor switches (PCSS) are being used to produce high power electromagnetic pulses foc (1) compact, repetitive accelerators, (2) ultra-wide band impulse sources, (3) precision gas switch triggers, (4) optically-activated firesets, and (5) high power optical pulse generation and control. High power, sub-nanosecond optical pulses are used for active optical sensors such as compact optical radars and range-gated hallistic imaging systems. Following a brief introduction to high gain PCSS and its general applications, this paper will focus on PCSS for optical pulse generation and control. PCSS technology can be employed in three distinct approaches to optical pulse generation and control: (1) short pulse carrier injection to induce gain-switching in semiconductor lasers, (2) electro-optical Q-switching, and (3) optically activated Q-switching. The most significant PCSS issues for these applications are switch rise time, jitter, and longevity. This paper will describe both the requirements of these applications and the most recent results from PCSS technology. Experiments to understand and expand the limitations of high gain PCSS will also be described.
We gain-switch flared waveguide lasers to obtain 14.5 W peak powers and 0.5 nJ pulse energies with laser structures compatible with the generation of diffraction-limited beams. The results are in excellent agreement with a microscopic laser model.
The longevity of high gain GaAs photoconductive semiconductor switches (PCSS) has been extended to over 50 million pulses. This was achieved by improving the ohmic contacts through the incorporation of a doped layer beneath the PCSS contacts which is very effective in the suppression of filament formation and alleviating current crowding to improve the longevity of PCSS. Virtually indefinite, damage-free operation is now possible at much higher current levels than before. The inherent damage-free current capacity of the switch depends on the thickness of the doped layers and is at least 100A for a dopant diffusion depth of 4pm. The contact metal has a different damage mechanism and the threshold for damage ({approximately}40A) is not further improved beyond a dopant diffusion depth of about 2{micro}m. In a diffusion-doped contact switch, the switching performance is not degraded when contact metal erosion occurs. This paper will compare thermal diffusion and epitaxial growth as approaches to doping the contacts. These techniques will be contrasted in terms of the fabrication issues and device characteristics.
Organically modified alkoxy silanes play an important role in tailoring different properties of silica produced by the sol-gel method. Changes in the size and functionality of the organic group allows control of both physical and chemical properties of the resulting gel, with the kinetics of the polymerization process playing an important role in the design of new siloxane materials. High resolution {sup 29}Si NMR has proven to be valuable tool for monitoring the polymerization reaction, and has been used to investigate a variety of organically modified alkoxy silane systems.
This paper will focus on the required growth conditions for self-doping metals and the various lifetime issues. Recent results for a novel self-doping metal system will be discussed briefly.
Back contact solar cells hold significant promise for increased performance in photovoltaics for the near future. Two major advantages which these cells possess are a lack of grid shading loss and coplanar interconnection. Front contacted cells can have up to 10% shading loss when using screen printed metal grids. A front contact cell must also use solder connections which run from the front of one cell to the back of the next for series interconnection. This procedure is more difficult to automate than the case of co-planar contacts. The back contact cell design is not a recent concept. The earliest silicon solar cell developed by Bell Labs was a back contact device. There have been many design modifications to the basic concept over the years. To name a few, there is the Interdigitated Back Contact (IBC) cell, the Stanford Point contact solar cell, the Emitter Wrap Through (EWT), and its many variations. A number of these design concepts have demonstrated high efficiency. The SunPower back contact solar cell holds the efficiency record for silicon concentrator cells. The challenge is to produce a high efficiency cell at low cost using high throughput techniques. This has yet to be achieved with a back contact cell design. The focus of this paper will be to review the relevant features of back contact cells and progress made toward the goal of a low cost version of this device.