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Jump to search filtersA Parametric Analysis of Solidification in Y(Fe,Ni,Cr)-Nb-C Alloys
Scripta Materialia
A parametric analysis is presented which summarizes the amount of total ({gamma}/NbC + {gamma}/Laves) and individual {gamma}/NbC and {gamma}/Laves constituents which form during solidification of {gamma}{sub (Fe,Ni,Cr)} alloys with variations in nominal Nb and C contents. Calculated results are presented for Fe base alloys and Ni base alloys. The results provide a quantitative rationale for understanding the relation between alloy composition and solidification microstructures and should provide useful insight into commercial alloys of similar composition.
Solder Contamination
Welding Journal
There are two sources of contamination in solder alloys. The first source is trace elements from the primary metals used in the as-manufactured product, be that product in ingot, wire, or powder form. Their levels in the primary metal are determined by the refining process. While some of these trace elements are naturally occurring materials, additional contamination can result from the refining and/or forming processes. Sources include: furnace pot liners, debris on the cutting edges of shears, rolling mill rollers, etc. The types and levels of contaminants per solder alloy are set by recognized industrial, federal, military, and international specifications. For example, the 63Sn-37Pb solder purchased to the ASTM B 32 standard can have maximum levels of contamination for the following metals: 0.08(wt.)%Cu, 0.001 %Cd, 0.005%Al, 0.25%Bi, 0.03%As, 0.02%Fe, and 0.005 %Zn. A second cause of contamination in solders, and solder baths in particular, is their actual use in soldering operations. Each time a workpiece is introduced into the bath, some dissolution of the joint base metal(s), protective or solderable coatings, and fixture metal takes place which adds to contamination levels in the solder. The potential impurities include Cu; Ni; Au or other noble metals used as protective finishes and Al; Fe; and Zn to name a few. Even dissolution of the pot wall or liner is a source of impurities, typically Fe.
The Design Process of Physical Security as Applied to a U.S. Border Port of Entry
This paper details the application of a standard physical security system design process to a US Border Port of Entry (PoE) for vehicle entry/exit. The physical security design methodology is described as well as the physical security similarities to facilities currently at a US Border PoE for vehicles. The physical security design process description includes the various elements that make up the methodologies well as the considerations that must be taken into account when dealing with system integration of those elements. The distinctions between preventing unlawful entry/exit of illegal contraband and personnel are described. The potential to enhance the functions of drug/contraband detection in the Pre-Primary Inspection area through the application of emerging technologies are also addressed.
Shortest Path Planning for a Tethered Robot or an Anchored Cable
We consider the problem of planning shortest paths for a tethered robot with a finite length tether in a 2D environment with polygonal obstacles. We present an algorithm that runs in time O((k{sub 1} + 1){sup 2}n{sup 4}) and finds the shortest path or correctly determines that none exists that obeys the constraints; here n is the number obstacle vertices, and k{sub 1} is the number loops in the initial configuration of the tether. The robot may cross its tether but nothing can cross obstacles, which cause the tether to bend. The algorithm applies as well for planning a shortest path for the free end of an anchored cable.
Design and Testing of Metal and Silicon Heat Spreaders with Embedded Micromachined Heat Pipes
Benson, D.A.
The authors have developed a new type of heat spreader based on the integration of heat pipes directly within a thin planar structure suitable for use as a heat spreader or as the base layer in a substrate. The process uses micromachining methods to produce micron scale patterns that act as a wick in these small scale heat pipes. By using silicon or a low expansion metal as the wall material of these spreaders, they achieve a good match to the thermal coefficient of expansion of the die. The match allows the use of a thin high performance die attachment even on large size die. The embedded heat pipes result in high effective thermal conductivity for the new spreader technology.
Environmental Measurement While Drilling System for Real-Time Field Screening of Contaminants
Sampling during environmental drilling is essential to fully characterize the spatial distribution and migration of subsurface contaminants. However, analysis of the samples is expensive and time-consuming: off-site laboratory analysis can take weeks or months. Real-time information on environmental conditions, drill bit location and temperature during drilling is valuable in many environmental restoration operations. This type of information can be used to provide field screening data and improved efficiency of site characterization activities. The Environmental Measurement-While-Drilling (EMWD) System represents an innovative blending of new and existing technology in order to obtain real-time data during drilling. The system consists of two subsystems. The down-hole subsystem (at the drill bit) consists of sensors, a power supply, a signal conditioning and transmitter board, and a radio-frequency (RF) coaxial cable. The up-hole subsystem consists of a battery pack/coil, pickup coil, receiver, and personal computer. The system is compatible with fluid miser drill pipe, a directional drilling technique that uses minimal drilling fluids and generates little to no secondary waste. In EMWD, downhole sensors are located behind the drill bit and linked by a high-speed data transmission system to a computer at the surface. Sandia-developed Windows{trademark}-based software is used for data display and storage. As drilling is conducted, data is collected on the nature and extent of contamination, enabling on-the-spot decisions regarding drilling and sampling strategies. Initially, the downhole sensor consisted of a simple gamma radiation detector, a Geiger-Mueller tube (GMT). The design includes data assurance techniques to increase safety by reducing the probability of giving a safe indication when an unsafe condition exists. The EMWD system has been improved by the integration of a Gamma Ray Spectrometer (GRS) in place of the GMT. The GRS consists of a sodium iodide-thallium activated crystal coupled to a photomultiplier tube (PMT). The output of the PMT goes to a multichannel analyzer (MCA).The MCA data is transmitted to the surface via a signal conditioning and transmitter board similar to that used with the GMT. The EMWD system is described and the results of the GRS field tests and field demonstration are presented.
Integration and Evaluation of a Position Sensor with Continuous Read-Out for use with the Environmental Measurement-While-Drilling Gamma Ray Spectrometer System
The Environmental Measurement-While-Drilling-Gamma Ray Spectrometer (EMWD-GRS) system represents an innovative blend of new and existing technology that provides real-time environmental and drill bit data during drilling operations. The EMWD-GRS technology was demonstrated at Savannah River Site (SRS) F-Area Retention Basin. The EMWD-GRS technology demonstration consisted of continuously monitoring for gamma-radiation-producing contamination while drilling two horizontal boreholes below the backfilled waste retention basin. These boreholes passed near previously sampled locations where concentrations of contaminant levels of cesium had been measured. Contaminant levels continuously recorded by the EMWD-GRS system during drilling were compared to contaminant levels previously determined through quantitative laboratory analysis of soil samples. The demonstration of the EMWD-GRS was a complete success. The results show general agreement between the soil sampling and EMWD-GRS techniques for CS-137. It was recognized that the EMWD-GRS tool would better satisfy our customers' needs if the instrument location could be continuously monitored. During the demonstration at SRS, an electromagnetic beacon with a walkover monitor (Subsite{reg_sign}) was used to measure bit location at depth. To use a beacon locator drilling must be stopped, thus it is normally only used when a new section of pipe was added. The location of contamination could only be estimated based on the position of the EMED-GRS package and the distance between locator beacon readings. A continuous location system that would allow us to know the location of each spectrum as it is obtained is needed.
Confidence Calculation with AMV+
AIAA Journal
The iterative advanced mean value algorithm (AMV+), introduced nearly ten years ago, is now widely used as a cost-effective probabilistic structural analysis tool when the use of sampling methods is cost prohibitive (Wu et al., 1990). The need to establish confidence bounds on calculated probabilities arises because of the presence of uncertainties in measured means and variances of input random variables. In this paper an algorithm is proposed that makes use of the AMV+ procedure and analytically derived probability sensitivities to determine confidence bounds on calculated probabilities.
Stress Corrosion Crack Detection on HU-25 Guardian Aircraft
Several ultrasonic inspection methods were developed at the Federal Aviation Administration's Airworthiness Assurance NDI Validation Center (AANC) to easily and rapidly detect hidden stress corrosion cracks in all vertical windshield posts on the US Coast Guard (USCG) HU-25 Guardian aircraft. The inspection procedure locates cracks as small as 2.0 millimeters emanating from internal fastener holes and determines their length. A test procedure was developed and a baseline assessment of the USCG fleet was conducted. Inspection results on twenty-five aircraft revealed a good correlation with results made during subsequent structural disassembly and visual inspection.
High-Density Plasma Etching of Group-III Nitride Films for Device Application
As III-V nitride device structures become more complicated and design rules shrink, well-controlled etch processes are necessary. Due to limited wet chemical etch results for the group-III nitrides, a significant amount of effort has been devoted to the development of dry etch processing. Dry etch development was initially focused on mesa structures where high etch rates, anisotropic profiles, smooth sidewalls, and equi-rate etching of dissimilar materials were required. For example, commercially available LEDs and laser facets for GaN-based laser diodes have been patterned using reactive ion etching (RIE). With the recent interest in high power, high temperature electronic devices, etch characteristics may also require smooth surface morphology, low plasma-induced damage, and selective etching of one layer over another. The principal criteria for any plasma etch process is its utility in the fabrication of a device. In this study, we will report plasma etch results for the group-III nitrides and their application to device structures.
Correlation of Creep Behavior of Domal Salts
The experimentally determined creep responses of a number of domal salts have been reported in, the literature. Some of these creep results were obtained using standard (conventional) creep tests. However, more typically, the creep data have come from multistage creep tests, where the number of specimens available for testing was small. An incremental test uses abrupt changes in stress and temperature to produce several time increments (stages) of different creep conditions. Clearly, the ability to analyze these limited data and to correlate them with each other could be of considerable potential value in establishing the mechanical characteristics of salt domes, both generally and specifically. In any analysis, it is necessary to have a framework of rules to provide consistency. The basis for the framework is the Multimechanism-Deformation (M-D) constitutive model. This model utilizes considerable general knowledge of material creep deformation to supplement specific knowledge of the material response of salt. Because the creep of salt is controlled by just a few micromechanical mechanisms, regardless of the origin of the salt, certain of the material parameters are values that can be considered universal to salt. Actual data analysis utilizes the methodology developed for the Waste Isolation Pilot Plant (WIPP) program, and the response of a bedded pure WIPP salt as the baseline for comparison of the domal salts. Creep data from Weeks Island, Bryan Mound, West Hackberry, Bayou Choctaw, and Big Hill salt domes, which are all sites of Strategic Petroleum Reserve (SPR) storage caverns, were analyzed, as were data from the Avery Island, Moss Bluff, and Jennings salt domes. The analysis permits the parameter value sets for the domal salts to be determined in terms of the M-D model with various degrees of completeness. In turn this permits detailed numerical calculations simulating cavern response. Where the set is incomplete because of the sparse database, reasonable assumptions permit the set to be completed. From the analysis, two distinct response groups were evident, with the salts of one group measurably more creep resistant than the other group. Interestingly, these groups correspond well with the indirectly determined creep closure of the SPR storage caverns, a correlation that probably should be expected. Certainly, the results suggest a simple laboratory determination of the creep characteristics of a salt material from a dome site can indicate the relative behavior of any potential cavern placed within that dome.
Microscale Flow Modeling in Geologic Materials
Physics and Chemistry of the Earth
Three-dimensional imaging techniques, numerical methods for simulating flow and transport, and emergent computational architectures are combined to enable fundamental studies of fluid flow at the pore scale. High resolution reconstructions of porous media obtained using laser scanning confocal microscopy reduce sampling artifacts to sub-micron features, and simultaneously capture multiple grain length scales. However, the volumetric image data sets are extremely large, and there are significant computational challenges in utilizing this information effectively. The principal problem lies in the complexity of the geometry and the retention of this structure in numerical analyses. Lattice Boltzmann (LB) methods provide a direct means to simulate transport processes in complex geometric domains due to the unique ability to treat accurately and efficiently the multitude of discrete boundary conditions. LB methods are numerically explicit as formulated, and this characteristic is exploited through a mapping of the numerical domain to distributed computing architectures. These techniques are applied to perform single phase flow simulations in 3D data sets obtained from cores of Berea sandstone using confocal microscopy. Simulations are performed using both a purpose-built distributed processor computer and a massively parallel processer (MPP) platform.
Gravity-destabilized nonwetting phase invasion in macro-heterogeneous porous media: Experimental observations of invasion dynamics and scale analysis
Water Resources Research
Glass Jr., Robert J.; Conrad, Stephen H.; Peplinski, William J.
The authors designed and conducted experiments in a heterogeneous sand pack where gravity-destabilized nonwetting phase invasion (CO{sub 2} and TCE) could be recorded using high resolution light transmission methods. The heterogeneity structure was designed to be reminiscent of fluvial channel lag cut-and-fill architecture and contain a series of capillary barriers. As invasion progressed, nonwetting phase structure developed a series of fingers and pools; behind the growing front they found nonwetting phase saturation to pulsate in certain regions when viscous forces were low. Through a scale analysis, they derive a series of length scales that describe finger diameter, pool height and width, and regions where pulsation occurs within a heterogeneous porous medium. In all cases, they find that the intrinsic pore scale nature of the invasion process and resulting structure must be incorporated into the analysis to explain experimental results. The authors propose a simple macro-scale structural growth model that assembles length scales for sub-structures to delineate nonwetting phase migration from a source into a heterogeneous domain. For such a model applied at the field scale for DNAPL migration, they expect capillary and gravity forces within the complex subsurface lithology to play the primary roles with viscous forces forming a perturbation on the inviscid phase structure.
Effects of Accelerated Aging on Fiber Damage Thresholds
Laser-induced damage mechanisms that can occur during high-intensity fiber transmission have been under study for a number of years. Our particular interest in laser initiation of explosives has led us to examine damage processes associated with the transmission of Q-switched, Nd:YAG pulses at 1.06 {micro}m through step-index, multimode, fused silica fiber. Laser breakdown at the fiber entrance face is often the first process to limit fiber transmission but catastrophic damage can also occur at either fiber end face, within the initial entry segment of the fiber, and at other internal sites along the fiber path. Past studies have examined how these various damage mechanisms depend upon fiber end-face preparation, fiber fixturing and routing, laser characteristics, and laser-to-fiber injection optics. In some applications of interest, however, a fiber transmission system may spend years in storage before it is used. Consequently, an important additional issue for these applications is whether or not there are aging processes that can result in lower damage thresholds over time. Fiber end-face contamination would certainly lower breakdown and damage thresholds at these surfaces, but careful design of hermetic seals in connectors and other end-face fixtures can minimize this possibility. A more subtle possibility would be a process for the slow growth of internal defects that could lead to lower thresholds for internal damage. In the current study, two approaches to stimulating the growth of internal defects were used in an attempt to produce observable changes in internal damage thresholds. In the first approach test fibers were subjected to a very high tensile stress for a time sufficient for some fraction to fail from static fatigue. In the second approach, test fibers were subjected to a combination of high tensile stress and large, cyclic temperature variations. Both of these approaches were rather arbitrary due to the lack of an established growth mechanism for internal defects. Damage characteristics obtained from fibers subjected to each of these aging environments were compared to results from fresh fibers tested under identical conditions. A surprising result was that internal damage was not observed in any of the tested fibers. Only breakdown at the fiber entrance face and catastrophic damage at both end faces were observed. Fiber end faces were not sealed during the accelerated aging environments, and thresholds at these faces were significantly lower in the aged fibers. However, most fibers transmitted relatively high pulse energies before damaging, and a large fraction never damaged before we reached the limits of our test laser. The absence of any observable affect on internal damage thresholds is encouraging, but the current results do not rule out the possibility that some other approach to accelerated aging could reveal a growth mechanism for internal defects.
Origin of the Time-Dependence of Wet Oxidation of AlGaAs
Applied Physics Letters
Allerman, A.A.; Ashby, C.I.H.; Bridges, M.M.; Hammons, B.E.; Hou, H.Q.
The time-dependence of the wet oxidation of high-Al-content AlGaAs can be either linear, indicating reaction-rate limitation, or parabolic, indicating diffusion-limited rates. The transition from linear to parabolic time dependence can be explained by the increased rate of the formation of intermediate As{sub 2}O{sub 3} vs. its reduction to elemental As. A steadily increasing thickness of the As{sub 2}O{sub 3}-containing region at the oxidation front will shift the process from the linear to the parabolic regime. This shift from reaction-rate-limited (linear) to diffusion-limited (parabolic) time dependence is favored by increasing temperature or increasing Al mole fraction.
Work Functions of the transition Metals and Metal Silicides
Journal of Applied Physics
The work functions of polycrystalline metals are often used to systematize Schottky barrier height data for rectifying contacts to semiconductors. Rectifying contacts to silicon devices are predominantly formed using conductive metal silicides with work functions which are not as well characterized as metal work functions. The present work has two objectives. First, it classifies the transition metals using correlations between the metal work function and the atomic chemical potential. Second, the available data for metal silicides is collected and interpreted using an average charge transfer (ACT) model. The ACT model accounts for the electronic hardness of the component elements in addition to their chemical potentials. New trends in the behavior of silicide work functions are identified.
Electric Field Induced Surface Modification of Au
Journal of Applied Physics
We discuss the role of localized high electric fields in the modification of Au surfaces with a W probe using the Interfacial Force Microscope. Upon bringing a probe close to a Au surface, we measure both the interfacial force and the field emission current as a function of separation with a constant potential of 100 V between tip and sample. The current initially increases exponentially as the separation decreases. However, at a distance of less than {approximately} 500{angstrom} the current rises sharply as the surface begins to distort and rapidly close the gap. Retraction of the tip before contact is made reveals the formation of a mound on the surface. We propose a simple model, in which the localized high electric field under the tip assists the production of mobile Au adatoms by detachment from surface steps, and a radial field gradient causes a net flux of atoms toward the tip by surface diffusion. These processes give rise to an unstable surface deformation which, if left unchecked, results in a destructive mechanical contact. We discuss our findings with respect to earlier work using voltage pulses in the STM as a means of nanofabrication.
Diffusion of Ca and Mg in Calcite
American Mineralogist
The self-diffusion of Ca and the tracer diffusion of Mg in calcite have been experimentally measured using isotopic tracers of {sup 25}Mg and {sup 44}Ca. Natural single crystals of calcite were coated with a thermally-sputtered oxide thin film and then annealed in a CO{sub 2} gas at one atmosphere total pressure and temperatures from 550 to 800 C. Diffusion coefficient values were derived from the depth profiles obtained by ion microprobe analysis. The resultant activation energies for Mg tracer diffusion and Ca self-diffusion are respectively: E{sub a}(Mg) = 284 {+-} 74 kJ/mol and E{sub a}(Ca) = 271 {+-} 80 kJ/mol. For the temperature ranges in these experiments, the diffusion of Mg is faster than Ca. The results are generally consistent in magnitude with divalent cation diffusion rates obtained in previous studies and provide a means of interpreting the thermal histories of carbonate minerals, the mechanism of dolomitization, and other diffusion-controlled processes. The results indicate that cation diffusion in calcite is relatively slow and cations are the rate-limiting diffusing species for the deformation of calcite and carbonate rocks. Application of the calcite-dolomite geothermometer to metamorphic assemblages will be constrained by cation diffusion and cooling rates. The direct measurement of Mg tracer diffusion in calcite indicates that dolomitization is unlikely to be accomplished by Mg diffusion in the solid state but by a recrystallization process.
Calorimetric Studies of the Energetics of Order-Disorder in the System Mg(1-x)Fe(x)Ca(CO(3))(2)
American Mineralogist
Calorimetric studies by Chai and Navrotsky (1996) on dolomite-ankerite energetic have been extended by including two additional types of samples: a very disordered stoichiometric MgCa(CO{sub 3}){sub 2} prepared from low temperature aqueous solution and three largely ordered natural samples of intermediate iron content. Combining these data with previous work, three distinct trends of energetic can be seen: those for samples with nearly complete order, nearly complete disorder, and intermediate order. From these trends, the enthalpy of complete disordering is estimated to be 33 {+-} 6 kJ/mol for MgCa(CO{sub 3}){sub 2} and 18 {+-} 5 kJ/mol for FeCa(CO{sub 3}){sub 2}.
A Performance Analysis of Evolutionary Pattern Search with Generalized Mutation Steps
Evolutionary pattern search algorithms (EPSAs) are a class of evolutionary algorithms (EAs) that have convergence guarantees on a broad class of nonconvex continuous problems. In previous work we have analyzed the empirical performance of EPSAs. This paper revisits that analysis and extends it to a more general model of mutation. We experimentally evaluate how the choice of the set of mutation offsets affects optimization performance for EPSAs. Additionally, we compare EPSAs to self-adaptive EAs with respect to robustness and rate of optimization. All experiments employ a suite of test functions representing a range of modality and number of multiple minima.
Comparing Evolutionary Programs and Evolutionary Pattern Search Algorithms: A Drug Docking Application
Evolutionary programs (EPs) and evolutionary pattern search algorithms (EPSAS) are two general classes of evolutionary methods for optimizing on continuous domains. The relative performance of these methods has been evaluated on standard global optimization test functions, and these results suggest that EPSAs more robustly converge to near-optimal solutions than EPs. In this paper we evaluate the relative performance of EPSAs and EPs on a real-world application: flexible ligand binding in the Autodock docking software. We compare the performance of these methods on a suite of docking test problems. Our results confirm that EPSAs and EPs have comparable performance, and they suggest that EPSAs may be more robust on larger, more complex problems.
Pollution Prevention Wipe Application Study
As part of a pollution prevention program, a study was conducted at Sandia National Laboratories and at the Amarillo, ''Pantex Plant'' to identify a suitable replacement solvent(s) for cleaning hardware during routine maintenance operations. Current cleaning is performed using solvents (e.g. acetone, toluene, MEK, alcohols) that are classified as Resource Conservation and Recovery Act (RCW) materials. The Environmental Protection Agency (EPA) has assigned four characteristics as the criteria for determining whether a material is identified as hazardous under RCRA: Ignitability, Corrosivity, Reactivity and Toxicity. Within the DOE and DoD sector, these solvents are used with hand wipes to clean surfaces prior to O-ring replacement, to remove decals for new labeling, to clean painted surfaces prior to reconditioning, and for other general maintenance purposes. In some cases, low level radioactive contamination during cleaning necessitates that the RCIL4 solvent-containing wipes be classified as mixed waste. To avoid using RCRA materials, cleaning candidates were sought that had a flashpoint greater than 140 F, a pH between 2.5 and 12.5, and did not fail the reactivity and toxicity criteria. Three brominated cleaners, two hydrofluoroether azeotropes and two aliphatic hydrocarbon cleaner formulations were studied as potential replacements. Cleaning efficacy, materials compatibility, corrosion and accelerated aging studies were conducted and used to screen potential candidates. Hypersolve NPB (an n-propyl bromide based formulation) consistently ranked high in removing typical contaminants for weapons applications.
The Role of Electron Transport and Trapping in MOS Total-Dose Modeling
Deep and shallow electron traps form in irradiated thermal SiO{sub 2} as a natural response to hole transport and trapping. The density and stability of these defects are discussed, as are their implications for total-dose modeling.
Sand Production Modeling Using Superquadric Discrete Elements and Coupling of Fluid Flow and Particle Motion
Techniques for modeling oil well sand production have been developed using the formulations for superquadric discrete elements and Darcy fluid flow. Discrete element models are generated using the new technique of particle cloning. Discrete element sources and sinks allow simulation of sand production from the initial state through the transition to an equilibrium state where particles are created and removed at the same rate.
Architectural Surety Applications for Building Response to Dynamic Loads
This paper provides a summary introduction to the emerging area of Architectural Surety{trademark} applications for buildings and infrastructures that are subjected to dynamic loads from blast and naturally occurring events. This technology area has been under investigation to assist with the definition of risks associated with dynamic loads and to provide guidance for determining the required upgrading and retrofitting techniques suggested for reducing building and infrastructure vulnerabilities to such dynamic forces. This unique approach involves the application of risk management techniques for solving problems of the as-built environment through the application of security, safety, and reliability principles developed in the nuclear weapons programs of the United States Department of Energy (DOE) and through the protective structures programs of the German Ministry of Defense (MOD). The changing responsibilities of engineering design professionals are addressed in light of the increased public awareness of structural and facility systems' vulnerabilities to malevolent, normal, and abnormal environment conditions. Brief discussions are also presented on (1) the need to understand how dynamic pressures are affected by the structural failures they cause, (2) the need to determine cladding effects on columns, walls, and slabs, and (3) the need to establish effective standoff distance for perimeter barriers. A summary description is presented of selected technologies to upgrade and retrofit buildings by using high-strength concrete and energy-absorbing materials and by specifying appropriately designed window glazing and special masonry wall configurations and composites. The technologies, material performance, and design evaluation procedures presented include super-computational modeling and structural simulations, window glass fragmentation modeling, risk assessment procedures, instrumentation and health monitoring systems, three-dimensional CAD virtual reality visualization techniques, and material testing data.
(6)Li, (7)Li Nuclear Magnetic Resonance Investigation of Lithium Coordination in Binary Phosphate Glasses
Journal of Non-Crystalline Solids
{sup 6}Li and {sup 7}Li solid state magic angle spinning (MAS) nuclear magnetic resonance (NMR) spectroscopy has been used to investigate the local coordination environment of lithium in a series of xLi{sub 2}O {center_dot} (1-x)P{sub 2}O{sub 5} glasses, where 0.05 {le} x {le} 0.55. Both the {sup 6}Li and {sup 7}Li show chemical shift variations with changes in the Li{sub 2}O concentration, but the observed {sup 6}Li NMR chemical shifts closely approximate the true isotropic chemical shift and can provide a measure of the lithium bonding environment. The {sup 6}Li NMR results indicate that in this series of lithium phosphate glasses the Li atoms have an average coordination between four and five. The results for the metaphosphate glass agree with the coordination number and range of chemical shifts observed for crystalline LiPO{sub 3}. An increase in the {sup 6}Li NMR chemical shift with increasing Li{sub 2}O content was observed for the entire concentration range investigated, correlating with increased cross-linking of the phosphate tetrahedral network by O-Li-O bridges. The {sup 6}Li chemical shifts were also observed to vary monotonically through the anomalous glass transition temperature (T{sub g}) minimum. This continuous chemical shift variation shows that abrupt changes in the Li coordination environment do not occur as the Li{sub 2}O concentration is increased, and such abrupt changes can not be used to explain the T{sub g} minimum.
Protein Structure Prediction with Evolutionary Algorithms
Evolutionary algorithms have been successfully applied to a variety of molecular structure prediction problems. In this paper we reconsider the design of genetic algorithms that have been applied to a simple protein structure prediction problem. Our analysis considers the impact of several algorithmic factors for this problem: the confirmational representation, the energy formulation and the way in which infeasible conformations are penalized, Further we empirically evaluated the impact of these factors on a small set of polymer sequences. Our analysis leads to specific recommendations for both GAs as well as other heuristic methods for solving PSP on the HP model.
A New Methodology for the Estimation of Total Uncertainty in Computational Simulation
Abstract not provided.
BUSFET - A Novel Radiation-Hardened SOI Transistor
A partially-depleted SOI transistor structure has been designed that does not require the use of specially-processed hardened buried oxides for total-dose hardness and maintains the intrinsic SEU and dose rate hardness advantages of SOI technology.
Penetration Experiments with 6061-T6511 Aluminum Targets and Spherical-Nose Steel Projectiles at Striking Velocities Between 0.5 and 3.0 km/s
International Journal of Impact Engineering
We conducted depth of penetration experiments with 7.11-mm-diameter, 74.7-mm-long, spherical-nose, 4340 steel projectiles launched into 250-mm-diameter, 6061-T6511 aluminum targets. To show the effect of projectile strength, we used projectiles that had average Rockwell harnesses of R{sub c} = 36.6, 39.5, and 46.2. A powder gun and two-stage, light-gas guns launched the 0.023 kg projectiles at striking velocities between 0.5 and 3.0 km/s. Post-test radiographs of the targets showed three response regions as striking velocities increased: (1) the projectiles remained visibly undeformed, (2) the projectiles permanently deformed without erosion, and (3) the projectiles eroded and lost mass. To show the effect of projectile strength, we compared depth-of-penetration data as a function of striking velocity for spherical-nose rods with three Rockwell harnesses at striking velocities ranging from 0.5 to 3.0 km/s. To show the effect of nose shape, we compared penetration data for the spherical-nose projectiles with previously published data for ogive-nose projectiles.
Batch Microreactor Studies of Base Catalyzed Ligin Depolymerization in Alcohol Solvents
The depolymerization of organosolv-derived lignins by bases in methanol or ethanol solvent was studied in rapidly heated batch microreactors. The conversion of lignin to ether solubles by KOH in methanol or ethanol was rapid at 290 "C, reaching the maximum value within 10-15 minutes. An excess of base relative to Lignin monomer units was required for maximum conversion. Strong bases (KOH, NaOH, CSOH) convert more of the lignin to ether soluble material than do weaker bases LiOH, Ca(OH)2, and NacCO2). Ethanol and methanol are converted to acetic and formic acid respectively under the reaction conditions with an activation energy of approximately 50 kcal/mol. This results in a loss of solvent, but more importantly neutralizes the base catalyst, halting forward progress of the reaction.
The Growing Necessity for Continuing Education: The Short Course Option
Continuing education is a critical issue in the workplace. Rapid change, the emergence of new technology, and the lack of trained individuals make continuing education an imperative for employers. The desire for individual growth and marketability make it an imperative for the employee also. While there are many options for continuing education, an increasingly popular vehicle is the short course. Time, cost efficiency and instruction by those experienced in real industrial practice are key factors in the success of this educational format. Over the past couple of decades, short course offerings and the number and type of sponsoring organizations have grown significantly. Within the scientific community, courses in basic disciplines (e.g., materials characterization), emergent technologies (e.g., Micro-Electro- Mechanical Systems), equipment operation (e.g., electron microscopes) and even business practices (e.g., ES&H, proposal writing) have emerged and are taught by universities, technical societies and equipment manufacturers. Short course offerings and formats are evolving. Presently, it is possible to find series of courses which define specific curricula. These curricula set the stage for new developments in the future, including increased certification and licensing (e.g., technologists). Along with such certifications will come the need for accreditation. Who will offer such programs, and especially, who will accredit them are significant questions. Perhaps the most dramatic changes will occur with the integration of advanced information technology. While satellite-based remote offerings are available, the use of the web for educating a dispersed group is just beginning to emerge. In its simplest forms, this offers little advantage over a video or a real-time satellite course, but the eventual emergence of tele-operation of experimental equipment will revolutionize remote teaching.
Rigid Square Inclusion Embedded within an Epoxy Disk: Asympototic Stress Analysis
International Journal of Fracture
Guess, T.R.; Reedy, E.D.
The asymptotically singular stress state found at the tip of a rigid, square inclusion embedded within a thin, linear elastic disk has been determined for both uniform cooling and an externally applied pressure. Since these loadings we symmetric, the singular stress field is characterized by a single stress intensity factor, and the applicable calibration relationship has been determined for both fully bonded and unbended inclusions. A lack of interfacial bonding has a profound effect on inclusion-tip stress fields. A large radial compressive stress is generated in front of the inclusion tip when the inclusion is well bonded, whereas a large tensile hoop stress is generated when the inclusion is unbended, and frictionless sliding is allowed. Consequently, an epoxy disk containing an unbended inclusion appears more likely to crack when cooled than a disk containing a fully bonded inclusion. Elastic-plastic calculations show that when the inclusion is unbended, encapsulant yielding has a significant effect on the inclusion-tip stress state. Yielding relieves stress parallel to the interface and greatly reduces the radial compressive stress in front of the inclusion. As a result, the encapsulant is subjected to a nearly uniaxial tensile stress at the inclusion tip. For a typical high-strength epoxy, the calculated yield zone is embedded within the region dominated by the elastic hoop stress singularity. A limited number of tests have been carried out to determine if encapsulant cracking can be induced by cooling a specimen fabricated by molding a square, steel insert within a thin, epoxy disk. Test results are in qualitative agreement with analysis. Cracks developed only in disks with mold-released inserts, and the tendency for cracking increased with inclusion size.
Radiative Properties of High Wire Number Tungsten Arrays with Implosion Times up to 250 ns
Journal of Plasma Physics
High wire number, 25-mm diameter tungsten wire arrays have been imploded on the 8-MA Saturn generator, operating in a long-pulse mode. By varying the mass load from 710 to 6140 ps/cm, implosion times of 130 to 250 ns have been obtained with implosion velocities of 50 to 25 cn-dys, respectively. These z-pinch implosions produced plasmas with millimeter diameters that radiated 600 to 800 kJ of x-rays, with powers of 20 to 49 TW; the corresponding pulse widths were 19 to 7.5 ns, with risetimes ranging from 6.5 to 4.0 ns. These powers and pulse widths are similar to those achieved with 50 ns implosion times on Saturn. Two-dimensional, radiation- magnetohydrodynamic calculations indicate that the imploding shells in these long implosion time experiments are comparable in width to those in the short pulse cases. This can only be due to lower initial perturbations. A heuristic wire array model suggests that the reduced perturbations, in the long pulse cases, may be due to the individual wire merger occurring well before the acceleration of the shell. The experiments and modeling suggest that 150 to 200 ns implosion time z-pinches could be employed for high-power, x-ray source applications.
A Framework for Model Validation
Computational models have the potential of being used to make credible predictions in place of physical testing in many contexts, but success and acceptance require a convincing model validation. In general, model validation is understood to be a comparison of model predictions to experimental results but there appears to be no standard framework for conducting this comparison. This paper gives a statistical framework for the problem of model validation that is quite analogous to calibration, with the basic goal being to design and analyze a set of experiments to obtain information pertaining to the `limits of error' that can be associated with model predictions. Implementation, though, in the context of complex, high-dimensioned models, poses a considerable challenge for the development of appropriate statistical methods and for the interaction of statisticians with model developers and experimentalists. The proposed framework provides a vehicle for communication between modelers, experimentalists, and the analysts and decision-makers who must rely on model predictions.
Collision-free pickup and movement of large objects
Iron and Steel Engineer
An automated system is described for the sensor-based precision docking and manipulation of large objects. Past work in the remote handling of large nuclear waste containers is extendable to the problems associated with the handling of large objects such as steel coils. Computer vision and ultrasonic proximity sensing are used to control the precision docking of large objects, and swing-damped motion control of overhead cranes is used to control the position of the pickup device and suspended payload during movement. Real-time sensor processing and model-based control are used to accurately position payloads.
Laboratory Characterization of Mechanical and Permeability Properties of Dynamically Compacted Crushed Salt
The U. S. Department of Energy plans to dispose of transuranic wastes at the Waste Isolation Pilot Plant (WIPP), a geologic repository located at a depth of about 655 meters. The WIPP underground facility is located in the bedded salt of the Salado Formation. Access to the facility is provided through vertical shafts, which will be sealed after decommissioning to limit the release of hazardous waste from the repository and to limit flow into the facility. Because limited data are available to characterize the properties of dynamically compacted crushed salt, Sandia National Laboratories authorized RE/SPEC to perform additional tests on specimens of dynamically compacted crushed salt. These included shear consolidation creep, permeability, and constant strain-rate triaxial compression tests. A limited number of samples obtained from the large compacted mass were available for use in the testing program. Thus, additional tests were performed on samples that were prepared on a smaller scale device in the RE/SPEC laboratory using a dynamic-compaction procedure based on the full-scale construction technique. The laboratory results were expected to (1) illuminate the phenomenology of crushed-salt deformation behavior and (2) add test results to a small preexisting database for purposes of estimating parameters in a crushed-salt constitutive model. The candidate constitutive model for dynamically compacted crushed salt was refined in parallel with this laboratory testing.
Estimation of Retained Crude Oil Associated with Crushed Salt and Salt Cores in the Presence of Near-Saturated Brine
This paper describes three experiments whose purpose is to determine the amount of retained oil on massive salt surfaces and in crushed salt in the presence of water and brine. These experiments have application to the decommissioning process for the Weeks Island mine. In the first experiment, oil-coated salt cores were immersed in either fresh water or in 85% brine. In the case of both fluids, the oil was completely removed from the cores within several hours. In the second experiment, oil-coated salt pieces were suspended in air and the oil was allowed to drain. The weight of retained oil clinging to the salt was determined. This experiment was used to estimate the total amount of oil clinging to the roofs of the mine. The total amount of oil clinging to the roofs of the mine is estimated to be between 240 and 400 m3 (1500 and 2500 BBL). In the third experiment, a pan of oil-soaked crushed salt was immersed in 85% brine, and oil removal from the salt was monitored as a function of time. At the start of the experiment, prior to immersion, 16% of the bulk volume of the crushed salt was determined to be interstitial oil. After the pan of crushed salt was immersed in 85% brine, 80% of the oil, which had been in the interstitial spaces of the crushed salt, immediately floated to the surface of the brine. This oil was not bound and was immediately released. During the next 380 hours, oil continued to separate from the salt and the rate of transfer was governed by a mass-transfer rate limitation.
The Influence of Crystal Structure on the Lattice Sites and Formation Energies of Hydrogen in Wurtzite and Zinc-Blende GaN
Physical Review B
Charge-state calculations based on density-functional theory are used to study the formation energy of hydrogen in wurtzite and zinc-blende GaN as a function of Fermi level Comparison of these results reveals notable differences including a 0.56 eV lower formation energy for H2 in wurtzite, and different configurations for H2 and H- in the two crystal structures. Furthermore, H+ is found to be equally stable at bond-centered and anti-bonding sites in wurtzite, whereas it is unstable at a bond-centered site in zinc blende. These differences are due to distinct features of the two crystal structures including: the lower symmetry of wurtzite which provides a wider selection of bonding sites for H+, and the existence of extended three-fold symmetric channels oriented along the c-axis in wurtzite which provide more favorable bonding configurations for H2 and H-.N-H+ stretch-mode vibration frequencies, clustering of ?3+ in p-type material, and diffusion barriers for H" are also investigated in wurtzite GaN. A diffusion barrier of 1.6 eV is found for H- in wurtzite GaN, significantly lower than a previous estimate, and a tendency for H+ clustering in p-type material is found.
Web Application Design Using Server-Side JavaScript
Hampton, J.; Simons, R.
This document describes the application design philosophy for the Comprehensive Nuclear Test Ban Treaty Research & Development Web Site. This design incorporates object-oriented techniques to produce a flexible and maintainable system of applications that support the web site. These techniques will be discussed at length along with the issues they address. The overall structure of the applications and their relationships with one another will also be described. The current problems and future design changes will be discussed as well.
Midwave Infrared (2-6{micro}m) Emitter-Based Chemical Sensor Systems
Long wavelength (2-6 {micro}m) diode emitters are desirable for many applications including monitoring of chemical species in the environment and manufacturing, long wavelength fiber-optic communications, lidar, and JR detector counter-measures. No practical diode lasers are available for any of these applications because the band structure of bulk III-V, II-VI, and IV-VI semiconductor alloys results in large Auger recombination rates at these wavelengths. Experimental and theoretical work at Sandia has resulted in new understanding of the electronic properties of narrow bandgap III-V heterostructures, and we have found methods of reducing the Auger rates in certain InAsSb superlattices and quantum wells. These devices enable us to begin chemical sensing demonstrations of important species such as CO-CO{sub 2} and numerous other compounds. This project will involve developing chemical sensing systems and determining the sensitivity and limitations of these systems. Concurrently, we will improve upon infrared emitters used in these systems.
Automated Geometric Model Builder Using Range Image Sensor Data: Final Acquistion
This report documents a data collection where we recorded redundant range image data from multiple views of a simple scene, and recorded accurate survey measurements of the same scene. Collecting these data was a focus of the research project Automated Geometric Model Builder Using Range Image Sensor Data (96-0384), supported by Sandia's Laboratory-Directed Research and Development (LDRD) Program during fiscal years 1996, 1997, and 1998. The data described here are available from the authors on CDROM, or electronically over the Internet. Included in this data distribution are Computer-Aided Design (CAD) models we constructed from the survey measurements. The CAD models are compatible with the SolidWorks 98 Plus system, the modern Computer-Aided Design software system that is central to Sandia's DeskTop Engineering Project (DTEP). Integration of our measurements (as built) with the constructive geometry process of the CAD system (as designed) delivers on a vision of the research project. This report on our final data collection will also serve as a final report on the project.
Automation, Control and Modeling of Compound Semiconductor Thin-Film Growth
This report documents the results of a laboratory-directed research and development (LDRD) project on control and agile manufacturing in the critical metalorganic chemical vapor deposition (MOCVD) and molecular beam epitaxy (MBE) materials growth processes essential to high-speed microelectronics and optoelectronic components. This effort is founded on a modular and configurable process automation system that serves as a backbone allowing integration of process-specific models and sensors. We have developed and integrated MOCVD- and MBE-specific models in this system, and demonstrated the effectiveness of sensor-based feedback control in improving the accuracy and reproducibility of semiconductor heterostructures. In addition, within this framework we have constructed ''virtual reactor'' models for growth processes, with the goal of greatly shortening the epitaxial growth process development cycle.
A Comparison of High-Voltage Switches
Chu, K.W.
This report summarizes our work on high-voltage switches during the past few years. With joint funding from the Department of Energy (DOE) and the Department of Defense (DOD), we tested a wide variety of switches to a common standard. This approach permitted meaningful comparisons between disparate switches. Most switches were purchased from commercial sources, though some were experimental devices. For the purposes of this report, we divided the switches into three generic types (gas, vacuum, and semiconductor) and selected data that best illustrates important strengths and weaknesses of each switch type. Test techniques that indicate the state of health of the switches are emphasized. For example, a good indicator of residual gas in a vacuum switch is the systematic variation of the switching delay in response to changes in temperature and/or operating conditions. We believe that the presentation of this kind of information will help engineers to select and to test switches for their particular applications. Our work was limited to switches capable of driving slappers. Also known as exploding-foil initiators, slappers are detonators that initiate a secondary explosive by direct impact with a small piece of matter moving at the detonation velocity (several thousands of meters per second). A slapper is desirable for enhanced safety (no primary explosive), but it also places extra demands on the capacitor-discharge circuit to deliver a fast-rising current pulse (greater than 10 A/ns) of several thousand amperes. The required energy is substantially less than one joule; but this energy is delivered in less than one microsecond, taking the peak power into the megawatt regime. In our study, the switches operated in the 1 kV to 3 kV range and were physically small, roughly 1 cm{sup 3} or less. Although a fuze functions only once in actual use, multiple-shot capability is important for production testing and for research work. For this reason, we restricted this report to multiple-shot switches. Furthermore, our work included only switches with submicrosecond timing precision, thereby excluding mechanical switches.
Explosive Containment Chamber Vulnerability to Chemical Munition Fragment Impact
Scenarios in which the explosive burster charge in a chemical munition accidentally detonates inside demilitarization containment chambers are analyzed. The vulnerability of an inner Auxiliary Pressure Vessel and the primary Explosive Containment Chamber to impact by fragments from the largest explosive charge expected to be placed in these chambers (M426, 8 inch, chemical, 7 lbs Comp B) is evaluated. Numerical (CTH) and empirical (ConWep) codes are used to characterize the munition fragments, and assess the consequences of their impact and penetration on the walls of these vessels. Both pristine and corroded configurations of the munition have been considered, with and without liquid agent fill. When the munition burster charge detonates, munition case fragments impact and perforate the Auxiliary Pressure Vessel wall, resulting in extensive breakup of this inner chamber and the formation of additional fragments. These residual munition case and Auxiliary Pressure Vessel fragments have sufficient mass and velocity to crater the Explosive Containment Chamber inner wall layer, with accompanying localized permanent deformation (bulging) of both the inner and outer chamber walls. The integrity of the Explosive Containment Chamber was retained under all of the APV / munition configurations considered in this study, with no evidence that primary (munition) or secondary (munition and Auxiliary Pressure Vessel) fragments will perforate the inner chamber wall. Limited analyses of munition detonation without the Auxiliary Pressure Vessel present indicate that some munition span fragments could form under those conditions that have sufficient mass and velocity to perforate the inner wall of the Explosive Containment Chamber.
Fundamental Understanding and Development of Low-Cost, High-Efficiency Silicon Solar Cells: Annual Progress Report: Sept. 1997-Aug. 1998
Abstract not provided.
Laboratory and Pilot Scale Evaluation of a Permeable Reactive Barrier Technology for Use at Rocky Flats Environmental Technology Site (RFETS)
Three reactive materials were evaluated to identify the optimum treatment reagent for use in a Permeable Reactive Barrier Treatment System at Rocky Flats Environmental Technology Site (RFETS). The three reactive media evaluated included high carbon steel iron filings, an iron-silica alloy in the form of a foam aggregate, and a pellicular humic acid based sorbent (Humasorb from Arctech) mixed with sand. Each material was tested in the laboratory at column scale using simulated site water. All three materials showed promise for the 903 Mound Site; however, the iron filings were determined to be the most cost effective media. In order to validate the laboratory results, the iron filings were further tested at a pilot scale (field columns) using actual site water. Pilot test results were similar to laboratory results; consequently, the iron filings were chosen for the full scale demonstration of this reactive barrier technology. Design parameters including saturated hydraulic conductivity, treatment residence time, and head loss across the media were provided to the design team in support of the final design.
Fast Resistive Bolometry
Resistive bolometry is an accurate, robust, spectrally broadband technique for measuring absolute x-ray fluence and flux. Bolometry is an independent technique for x-ray measurements that is based on a different set of physical properties than other diagnostics such as x-ray diodes, photoconducting detectors, and P-I-N diodes. Bolometers use the temperature-driven change in element resistivity to determine the total deposited energy. The calibration of such a device is based on fundamental material properties and its physical dimensions. We describe the use of nickel and gold bolometers to measure x rays generated by high-power z pinches on Sandia's Saturn and Z accelerators. The Sandia bolometer design described herein has a pulse response of {approximately}1 ns. We describe in detail the fabrication, fielding, and data analysis issues leading to highly accurate x-ray measurements. The fundamental accuracy of resistive bolometry will be discussed.
Plasma Processing for Enhanced Adhesion of Steel and Polymer Fibers to Rubber
Abstract not provided.