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Synthesis, characterization, phase diagrams and superconducting and normal state magnetic properties of La{sub 2{minus}x}Sr{sub x}CuO{sub 4} (0 {le} x {le} 0.08) and electrochemically oxidized La{sub 2{minus}x}Sr{sub x}CuO{sub 4+{delta}} (0 {le} x {le} 0.33, 0 {le} {delta} {le} 0.12): La{sub 2{minus}x}Sr{sub x}CuO{sub 4} (0 {le} x {le} 0.15) can all be intercalated with oxygen by a novel electrochemical oxidation method. Bulk superconductivity is found with an onset {Tc} {approx} 40 K for the whole range 0.01 {le} x {le} 0.15; for x = 0.25 and 0.33, the electrochemical oxidation did not improve the superconducting properties. The magnetic susceptibility {chi}(T = 50--320 K) data for La{sub 2}CuO{sub 4.11} and La{sub 1.92}Sr{sub 0.08}CuO{sub 4.07} are nearly identical with those of conventionally prepared La{sub 1.85}Sr{sub 0.15}CuO{sub 4}, indicating that the hole doping level (p) in the CuO{sub 2} planes of the three compounds is nearly the same. Combined thermogravimetric analysis and iodometric titration experiments indicate that part of the intercalated oxygen has a formal valence close to {minus}1. The maximum doped-hole concentration in the CuO{sub 2} planes that can be achieved from combined Sr-doping and electrochemical oxygen doping for 0 {le} x {le} 0.15 is p {approx} 0.16 holes/formula unit. Oxygen can also intercalate into single crystal La{sub 2}CuO{sub 4} through a slow electrochemical oxidation process. The required low current and long time for the charging process reflects that the oxygen intercalation for a single crystal is limited by its small specific surface area and long diffusion distance. The anisotropic superconducting, magnetic and transport properties are summarized and compared with those of polycrystalline La{sub 2}CuO{sub 4+{delta}} as well as of YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} and La{sub 2{minus}x}Sr{sub x}CuO{sub 4} single crystals. The single crystal La{sub 2}CuO{sub 4+{delta}} has a maximum {Tc} {approx} 40 K, which is lower than that ({Tc} {approx} 42--45) of the corresponding polycrystalline samples. The magnetic phase diagram of La{sub 2{minus}x}Sr{sub x}CuO{sub 4} in the antiferromagnetic (AF) regime (0 {le} x {le} 0.02) has been derived from {sup 139}La NQR studies from 4 to 250 K.
Development of radiation detectors based on hydrogenated amorphous silicon and its alloys: Hydrogenated amorphous silicon and related materials have been applied to radiation detectors, utilizing their good radiation resistance and the feasibility of making deposits over a large area at low cost. Effects of deposition parameters on various material properties of a-Si:H have been studied to produce a material satisfying the requirements for specific detection application. Thick(-{approximately}50 {mu}m), device quality a-Si:H p-i-n diodes for direct detection of minimum ionizing particles have been prepared with low internal stress by a combination of low temperature growth, He-dilution of silane, and post annealing. The structure of the new film contained voids and tiny crystalline inclusions and was different from the one observed in conventional a-Si:H. Deposition on patterned substrates was attempted as an alternative to controlling deposition parameters to minimize substrate bending and delamination of thick a-Si:H films. Growth on an inversed-pyramid pattern reduced the substrate bending by a factor of 3{approximately}4 for the same thickness film. Thin (0.1 {approximately} 0.2 {mu}m) films of a-Si:H and a-SiC:H have been applied to microstrip gas chambers to control gain instabilities due to charges on the substrate. Light sensitivity of the a-Si:H sheet resistance was minimized and the surface resistivity was successfully` controlled in the range of 10{sup 12} {approximately} 10{sup 17} {Omega}/{four_gradient} by carbon alloying and boron doping. Performance of the detectors with boron-doped a-Si:C:H layers was comparable to that of electronic-conducting glass. Hydrogen dilution of silane has been explored to improve electrical transport properties of a-Si:H material for high speed photo-detectors and TFT applications.
The growth of epitaxial iron oxides on platinum (111) as studied by X-ray photoelectron diffraction, scanning tunneling microscopy, and low energy electron diffraction: Three complementary surface structure probes, x-ray photoelectron diffraction (XPD), scanning tunneling microscopy (STM), and low-energy electron diffraction (LEED) have been combined in a single instrument. This experimental system has been utilized to study the structure and growth mechanisms of iron oxide films on Pt(111); these films were formed by first depositing a single overlayer of Fe with a certain coverage in monolayers (ML`s), and then thermally oxidizing it in an oxygen atmosphere. For films up to {approximately}1 ML in thickness, a bilayer of Fe and O similar to those in FeO(111) is found to form. In agreement with prior studies, STM and LEED show this to be an incommensurate oxide film forming a lateral superlattice with short- and long-range periodicities of {approximately}3.1 {Angstrom} and {approximately}26.0 {Angstrom}. XPD in addition shows a topmost oxygen layer to be relaxed inward by -0.6 {Angstrom} compared to bulk FeO(111), and these are new structural conclusions. The oxygen stacking in the FeO(111) bilayer is dominated by one of two possible binding sites. For thicker iron oxide films from 1.25 ML to 3.0 ML, the growth mode is essentially Stranski-Krastanov: iron oxide islands form on top of the FeO(111) bilayer mentioned above. For iron oxide films of 3.0 ML thickness, x-ray photoelectron spectroscopy (XPS) yields an Fe 2p{sub 3/2} binding energy and an Fe:O stoichiometry consistent with the presence of Fe{sub 3}O{sub 4}. Our XPD data further prove this overlayer to be Fe{sub 3}O{sub 4}(111)-magnetite in two almost equally populated domains with a 180{degrees} rotation between them. The structural parameters for this Fe{sub 3}O{sub 4} overlayer generally agree with those of a previous LEED study, except that we find a significant difference in the first Fe-O interplanar spacing. This work demonstrates the considerable benefits to be derived by using this set of complementary surface structure probes …
Synthesis and characterization of novel lanthanide- and actinide-containing titanates and zircono-titanates; relevance to nuclear waste disposal: Before experiments using actinide elements are performed, synthetic routes are tested using lanthanides of comparable ionic radii as surrogates. Compound and solid solution formation in several lanthanide-containing titanate and zircono-titanate systems have been established using X-ray diffraction (XRD) analysis, which helped to define interesting and novel experiments, some of which have been performed and are discussed, for selected actinide elements. The aqueous solubilities of several lanthanide- and actinide-containing compounds, representative of the systems studied, were tested in several leachants, including the WIPP {open_quotes}A{close_quotes} brine, following modified Materials Characterization Center procedures (MCC-3). The WIPP {open_quotes}A{close_quotes} brine is a synthetic substitute for that found in nature at the Waste Isolation Pilot Plant (WIPP) in New Mexico. The concentrations of cerium, used as a surrogate for plutonium, leached by the WIPP {open_quotes}A{close_quotes} brine from all the cerium-containing compounds and solid solutions tested were below the Inductively Coupled Plasma (ICP) atomic emission spectrometry limit of detection (10 ppm) established for cerium in this brine. The concentrations of plutonium leached from the two plutonium-containing solid solutions were less than 1 ppm as determined by gross alpha counting and alpha pulse height analysis. Concentrations of strontium leached by the WIPP brine from stable strontium containing titanate compounds, studied as possible immobilizers of both {sup 90}Sr and actinide elements, were also quite low. These compound and solid solution formation investigations and the aqueous solubility studies suggest that the types of titanate and zircono-titanate compounds and solid solutions studied in this work appear to be useful as host matrices for nuclear waste immobilization.
Photofragment translational spectroscopy of three body dissociations and free radicals: This dissertation describes several three-body dissociations and the photodissociation of methyl radicals studied using photofragment translational spectroscopy. The first chapter provides an introduction to three body dissociation, examines current experimental methodology, and includes a discussion on the treatment of photofragment translational spectroscopy data arising from three-body fragmentation. The ultraviolet photodissociation of azomethane into two methyl radicals and nitrogen is discussed in chapter 2. Chapter 3 describes the photodissociation of acetone at 248 nm and 193 nm. At 248 nm the translational energy release from the initial C-C bond cleavage matches the exit barrier height and a comparison with results at 266 nm suggests that <E{sub T}> is invariant to the available energy. A fraction of the nascent CH{sub 3}CO radicals spontaneously dissociate following rotational averaging. The <E{sub T}> for the second C-C bond cleavage also matches the exit barrier height. At 193 nm the experimental data can be successfully fit assuming that the dynamics are analogous to those at 248 nm. A simplified model of energy partitioning which adequately describes the experimental results is discussed. Experiments on acetyl halides provide additional evidence to support the proposed acetone dissociation mechanism. A value of 17.0{+-}1.0 kcal/mole for the barrier height, CH{sub 3}CO decomposition has been determined. The photodissociation of methyl radical at 193 nm and 212.8 nm is discussed in the chapter 5. The formation of CH{sub 2} ({sup 1}A{sub l}) and H ({sup 2}S) was the only single photon dissociation pathway observed at both wavelengths.
Trivalent metallocene chemistry of some uranium, titanium, and zirconium complexes: Dicyclopentadienyluranium halide dimers have been prepared and their solution behavior examined. These molecules exist as dimers in solution, and the halide ligands undergo rapid site exchange on the NMR timescale above 50 C. Analogous dicyclopentadienyluranium hydroxide dimers have also been prepared; they oxidatively eliminate hydrogen to give the corresponding oxide dimers. Mechanism of this reaction is consistent with {alpha}migration of one of the hydroxide hydrogen atoms to a uranium center followed by elimination of hydrogen. Ground state of [(Me{sub 3}Si){sub 2}C{sub 5}H{sub 3}]{sub 3}M M = Nd, U and their base adducts has been examined by variable temperature magnetic susceptibility and EPR spectroscopy. The ground state is found to be {sup 4}I{sub 9/2} with a crystal field state consisting largely of J{sub z} = 1/2 lowest, in agreement with previous studies on tris-cyclopentadienylneodymium complexes. The zirconium metallocene Cp{sub 3}Zr has been prepared, characterized crystallographically, and its reactivity studied. Its chemical behavior is controlled by presence of an electron in the non-bonding, d{sub z}2 orbital which prevents formation of base adducts Of Cp{sub 3}Zr, but allows Cp{sub 3}Zr to abstract atoms from other molecules. Electonic and EPR spectra of Cp*{sub 2}TiX complexes, where Cp* is Me{sub 5}C{sub 5} and X is a monodentate, anionic ligand such as halide, have been studied. A {pi}-bonding spectrochemical series is developed, and trends in {pi}-bonding ability are found similar to those in other inorganic complexes. The {beta}-agostic interactions in Cp*{sub 2}TiN(Me)Ph have been examined using variable temperature EPR spectroscopy, and the enthalpy/entropy of the interaction determined. In Cp*{sub 2}TiEt, enthalpy of the {beta}-agostic interaction is {minus}1.9 kcal/mol. The titanocene anion, Cp*{sub 2}TiLi(TMEDA) (TMEDA is N,N,N`,N`-tetramethylethylenediamine), has been prepared and its structure determined.
Transport and sorption of volatile organic compounds and water vapor in porous media: To gain insight on the controlling mechanisms for VOC transport in porous media, the relations among sorbent properties, sorption equilibrium and intraparticle diffusion processes were studied at the level of individual sorbent particles and laboratory columns for soil and activated carbon systems. Transport and sorption of VOCs and water vapor were first elucidated within individual dry soil mineral grains. Soil properties, sorption capacity, and sorption rates were measured for 3 test soils; results suggest that the soil grains are porous, while the sorption isotherms are nonlinear and adsorption-desorption rates are slow and asymmetric. An intragranular pore diffusion model coupled with the nonlinear Freundlich isotherm was developed to describe the sorption kinetic curves. Transport of benzene and water vapor within peat was studied; partitioning and sorption kinetics were determined with an electrobalance. A dual diffusion model was developed. Transport of benzene in dry and moist soil columns was studied, followed by gaseous transport and sorption in activated carbon. The pore diffusion model provides good fits to sorption kinetics for VOCs to soil and VOC to granular activated carbon and activated carbon fibers. Results of this research indicate that: Intraparticle diffusion along with a nonlinea sorption isotherm are responsible for the slow, asymmetric sorption-desorption. Diffusion models are able to describe results for soil and activated carbon systems; when combined with mass transfer equations, they predict column breakthrough curves for several systems. Although the conditions are simplified, the mechanisms should provide insight on complex systems involving transport and sorption of vapors in porous media.
Connection between NMR and electrical conductivity in glassy chalcogenide fast ionic conductors: The work documented in this thesis follows the traditional order. In this chapter a general discussion of ionic conduction and of glassy materials are followed by a brief outline of the experimental techniques for the investigation of fast ionic conduction in glassy materials, including NMR and impedance spectroscopy techniques. A summary of the previous and present studies is presented in the last section of this introductory chapter. The details of the background theory and models are found in the Chapter II, followed by the description of the experimental details in Chapter III. Chapter IV of the thesis describes the experimental results and the analysis of the experimental observations followed by the conclusions in chapter V.
Genetic algorithms applied to nonlinear and complex domains: The dissertation, titled ''Genetic Algorithms Applied to Nonlinear and Complex Domains'', describes and then applies a new class of powerful search algorithms (GAS) to certain domains. GAS are capable of solving complex and nonlinear problems where many parameters interact to produce a ''final'' result such as the optimization of the laser pulse in the interaction of an atom with an intense laser field. GAS can very efficiently locate the global maximum by searching parameter space in problems which are unsuitable for a search using traditional methods. In particular, the dissertation contains new scientific findings in two areas. First, the dissertation examines the interaction of an ultra-intense short laser pulse with atoms. GAS are used to find the optimal frequency for stabilizing atoms in the ionization process. This leads to a new theoretical formulation, to explain what is happening during the ionization process and how the electron is responding to finite (real-life) laser pulse shapes. It is shown that the dynamics of the process can be very sensitive to the ramp of the pulse at high frequencies. The new theory which is formulated, also uses a novel concept (known as the (t,t') method) to numerically solve the time-dependent Schrodinger equation Second, the dissertation also examines the use of GAS in modeling decision making problems. It compares GAS with traditional techniques to solve a class of problems known as Markov Decision Processes. The conclusion of the dissertation should give a clear idea of where GAS are applicable, especially in the physical sciences, in problems which are nonlinear and complex, i.e. difficult to analyze by other means.
Effects of Actinide Burning on Waste Disposal at Yucca Mountain: Release rates of 15 radionuclides from waste packages expected to result from partitioning and transmutation of Light-Water Reactor (LWR) and Actinide-Burning Liquid-Metal Reactor (ALMR) spent fuel are calculated and compared to release rates from standard LWR spent fuel packages. The release rates are input to a model for radionuclide transport from the proposed geologic repository at Yucca Mountain to the water table. Discharge rates at the water table are calculated and used in a model for transport to the accessible environment, defined to be five kilometers from the repository edge. Concentrations and dose rates at the accessible environment from spent fuel and wastes from reprocessing, with partitioning and transmutation, are calculated. Partitioning and transmutation of LWR and ALMR spent fuel reduces the inventories of uranium, neptunium, plutonium, americium and curium in the high-level waste by factors of 40 to 500. However, because release rates of all of the actinides except curium are limited by solubility and are independent of package inventory, they are not reduced correspondingly. Only for curium is the repository release rate much lower for reprocessing wastes.
Anisotropic superconducting and normal state magnetic properties of single crystals of RNi*2*B*2*C compounds (R = Y, Gd, Dy, Ho, Er, and Tm): The interaction of superconductivity with magnetism has been one of the most interesting and important phenomena in solid state physics since the 1950`s when small amounts of magnetic impurities were incorporated in superconductors. The discovery of the magnetic superconductors RNi{sub 2}B{sub 2}C (R = rare earth, Y) offers a new system to study this interaction. The wide ranges of superconducting transition (T{sub c}) and antiferromagnetic (AF) ordering temperatures (T{sub N}) (0 K {le} T{sub c} {le} 16 K, 0 K {le} T{sub N} {le} 20 K) give a good opportunity to observe a variety of interesting phenomena. Single crystals of high quality with appropriate size and mass are crucial in examining the anisotropic intrinsic properties. Single crystals have been grown successfully by an unusual high temperature flux method and characterized thoroughly by X-ray, electrical transport, magnetization, neutron scattering, scanning electron microscopy, and other measurements.
NMR investigations of surfaces and interfaces using spin-polarized xenon: {sup 129}Xe NMR is potentially useful for the investigation of material surfaces, but has been limited to high surface area samples in which sufficient xenon can be loaded to achieve acceptable signal to noise ratios. In Chapter 2 conventional {sup 129}Xe NMR is used to study a high surface area polymer, a catalyst, and a confined liquid crystal to determine the topology of these systems. Further information about the spatial proximity of different sites of the catalyst and liquid crystal systems is determined through two dimensional exchange NMR in Chapter 3. Lower surface area systems may be investigated with spin-polarized xenon, which may be achieved through optical pumping and spin exchange. Optically polarized xenon can be up to 10{sup 5} times more sensitive than thermally polarized xenon. In Chapter 4 highly polarized xenon is used to examine the surface of poly(acrylonitrile) and the formation of xenon clathrate hydrates. An attractive use of polarized xenon is as a magnetization source in cross polarization experiments. Cross polarization from adsorbed polarized xenon may allow detection of surface nuclei with drastic enhancements. A non-selective low field thermal mixing technique is used to enhance the {sup 13}C signal of CO{sub 2} of xenon occluded in solid CO{sub 2} by a factor of 200. High-field cross polarization from xenon to proton on the surface of high surface area polymers has enabled signal enhancements of {approximately}1,000. These studies, together with investigations of the efficiency of the cross polarization process from polarized xenon, are discussed in Chapter 5. Another use of polarized xenon is as an imaging contrast agent in systems that are not compatible with traditional contrast agents. The resolution attainable with this method is determined through images of structured phantoms in Chapter 6.
Development of new VOC exposure metrics and their relationship to ``Sick Building Syndrome`` symptoms: Volatile organic compounds (VOCs) are suspected to contribute significantly to ``Sick Building Syndrome`` (SBS), a complex of subchronic symptoms that occurs during and in general decreases away from occupancy of the building in question. A new approach takes into account individual VOC potencies, as well as the highly correlated nature of the complex VOC mixtures found indoors. The new VOC metrics are statistically significant predictors of symptom outcomes from the California Healthy Buildings Study data. Multivariate logistic regression analyses were used to test the hypothesis that a summary measure of the VOC mixture, other risk factors, and covariates for each worker will lead to better prediction of symptom outcome. VOC metrics based on animal irritancy measures and principal component analysis had the most influence in the prediction of eye, dermal, and nasal symptoms. After adjustment, a water-based paints and solvents source was found to be associated with dermal and eye irritation. The more typical VOC exposure metrics used in prior analyses were not useful in symptom prediction in the adjusted model (total VOC (TVOC), or sum of individually identified VOCs ({Sigma}VOC{sub i})). Also not useful were three other VOC metrics that took into account potency, but did not adjust for the highly correlated nature of the data set, or the presence of VOCs that were not measured. High TVOC values (2--7 mg m{sup {minus}3}) due to the presence of liquid-process photocopiers observed in several study spaces significantly influenced symptoms. Analyses without the high TVOC values reduced, but did not eliminate the ability of the VOC exposure metric based on irritancy and principal component analysis to explain symptom outcome.
The dynamics of variable-density turbulence: The dynamics of variable-density turbulent fluids are studied by direct numerical simulation. The flow is incompressible so that acoustic waves are decoupled from the problem, and implying that density is not a thermodynamic variable. Changes in density occur due to molecular mixing. The velocity field is, in general, divergent. A pseudo-spectral numerical technique is used to solve the equations of motion. Three-dimensional simulations are performed using a grid size of 128{sup 3} grid points. Two types of problems are studied: (1) the decay of isotropic, variable-density turbulence, and (2) buoyancy-generated turbulence in a fluid with large density fluctuations (such that the Boussinesq approximation is not valid). In the case of isotropic, variable-density turbulence, the overall statistical decay behavior, for the cases studied, is relatively unaffected by the presence of density variations when the initial density and velocity fields are statistically independent. The results for this case are in quantitative agreement with previous numerical and laboratory results. In this case, the initial density field has a bimodal probability density function (pdf) which evolves in time towards a Gaussian distribution. The pdf of the density field is symmetric about its mean value throughout its evolution. If the initial velocity and density fields are statistically dependent, however, the decay process is significantly affected by the density fluctuations. For this case, the pdf of the density becomes asymmetric about its mean value during the early stages of its evolution. It is argued that these asymmetries in the pdf of the density field are due to different entrainment rates, into the mixing region, that favor the high speed fluid.
Synthesis and study of novel silicon-based unsaturated polymers: Novel unsaturated polymers have been synthesized and studied as precursors to silicon carbide and third order nonlinear optical materials. X ray structures were obtained. Kinetic and mechanistic studies of the unique thermal isomerization of dimethylenedisilacyclobutane to a carbene were conducted.
Excited state carrier dynamics in CdS{sub x}Se{sub 1-x} semisconductor alloys as studied by ultrafast fluorescence spectroscopy: This dissertation discusses studies of the electron-hole pair dynamics of CdS{sub x}Se{sub 1-x} semiconductor alloys for the entire compositional range from x = 1 to x = 0 as examined by the ultrafast fluorescence techniques of time correlated single photon counting and fluorescence upconversion. Specifically, samples with x = 1, .75, .5, .25, and 0 were studied each at a spread of wavelengths about its respective emission maximum which varies according to {lambda} = 718nm - 210x nm. The decays of these samples were found to obey a Kohlrausch distribution, exp [(t/{tau}){sup {beta}}], with the exponent 3 in the range .5-.7 for the alloys. These results are in agreement with those expected for localization due to local potential variations resulting from the random distribution of sulfur and selenium atoms on the element VI A sub-lattice. This localization can be understood in terms of Anderson localization of the holes in states whose energy distribution tails into the forbidden energy band-gap. Because these states have energy dependent lifetimes, the carriers can decay via many parallel channels. This distribution of channels is the ultimate source of the Kohlrausch form of the fluorescence decays.
Oxidation studies on small atom doped TI*5*SI*3*: This report described the oxidation and oxidation resistance of Ti{sub 5}Si{sub 3}, along with a discussion on general material properties. Single crystal studies of Ti{sub 5}Si{sub 3}Z{sub x} are included.
Synthesis, structure, and reactivity of high oxidation state silver fluorides and related compounds: This thesis has been largely concerned with defining the oxidizing power of Ag(III) and Ag(II) in anhydrous hydrogen fluoride (aHF) solution. Emphasis was on cationic species, since in a cation the electronegativity of a given oxidation state is greatest. Cationic Ag(III) solv has a short half life at ordinary temperatures, oxidizing the solvent to elemental fluorine with formation of Ag(II). Salts of such a cation have not yet been preparable, but solutions which must contain such a species have proved to be effective and powerful oxidizers. In presence of PtF{sub 6}{sup {minus}}, RuF{sub 6}{sup {minus}}, or RhF{sub 6}{sup {minus}}, Ag(III) solv effectively oxidizes the anions to release the neutral hexafluorides. Such reactivity ranks cationic Ag(III) as the most powerfully oxidizing chemical agent known as far. Unlike its trivalent relative Ag (II) solv is thermodynamically stable in acid aHF. Nevertheless, it oxidizes IrF{sub 6}{sup {minus}} to IrF{sub 6} at room temperature, placing its oxidizing potential not more than 2 eV below that of cationic Ag(III). Range of Ag{sup 2+} (MF{sub 6}{sup {minus}}){sub 2} salts attainable in aHF has been explored. An anion must be stable with respect to electron loss to Ag{sup 2+}. The anion must also be a poor F{sup {minus}} donor; otherwise, either AgF{sup +} salts or AgF{sub 2} are generated.
Direct observation of resonance effects in laser cluster interactions: Time resolved dynamics of high intensity laser interactions with atomic clusters have been studied with both theoretical analysis and experiment. A short-pulse Ti:sapphire laser system, which could produce 50 mJ of energy in a 50 fs pulse, was built to perform these experiments. The laser used a novel single grating stretcher and was pumped, in part, by a custom Nd:YLF laser system, including 19 mm Nd:YLF amplifiers. It was found that there is an optimal pulse width to maximize absorption for a given cluster size. This optimal pulse width ranged from 400 fs for 85 A radius xenon clusters to 1.2 ps for 205 {angstrom} radius xenon clusters. Using a pump-probe configuration, the absorption of the probe radiation was observed to reach a maximum for a particular time delay between pump and probe, dependent on the cluster size. The delay for peak absorption was 800, 1400, and 2100 fs for 85 {angstrom}, 130 {angstrom}, and 170 {angstrom} radius xenon clusters respectively. Model calculations suggest that these effects are due to resonant heating of the spherical plasma in agreement with the hydrodynamic interpretation of cluster interactions. While this simple hydrodynamic code produces reasonable agreement with data, it does not include bulk plasma or non-linear propagation effects and is limited to the regime where resonant behavior dominates. We also measured the scattered laser light from the laser-cluster interaction. Similar to the absorption measurements, there is an optimal pulse width which maximizes the scattered signal. This pulse width is larger than the optimal pulse width for absorption. This disagrees with model calculations which show both pulse widths being similar. Further experiments measuring the scattered light in a pump-probe configuration should help to resolve this disagreement.
Magnetization studies of oxides related to the high temperature cuprate superconductors: The magnetic properties related to the following high temperature superconductors were measured utilizing a Faraday magnetometer: BaCuO{sub 2+x}, La{sub 2} CuO{sub 4}, Sr{sub 2} RhO{sub 4}, Sr{sub 2} VO{sub 4}, and Sr{sub 2} CuO{sub 3}. Neutron diffraction, magnetic susceptibility, and heat capacity measurements are discussed.
A Compton scatter camera for spectral imaging of 0.5 to 3.0 MeV gamma rays: A prototype Compton scatter camera for imaging gamma rays has been built and tested. This camera addresses unique aspects of gamma-ray imaging at nuclear industrial sites, including gamma-ray energies in the 0.5 to 3.0 MeV range and polychromatic fields. Analytic models of camera efficiency, resolution and contaminating events are developed. The response of the camera bears strong similarity to emission computed tomography devices used in nuclear medicine. A direct Fourier based algorithm is developed to reconstruct two-dimensional images of measured gamma-ray fields. Iterative ART and MLE algorithms are also investigated. The point response of the camera to gamma rays of energies from 0.5 to 2.8 MeV is measured and compared to the analytic models. The direct reconstruction algorithm is at least ten times more efficient than the iterative algorithms are also investigated. The point response of the camera to gamma rays energies from 0.5 to 2.8 MeV is measured and compared to the analytic models. The direct reconstruction algorithm is at least ten times more efficient than the iterative algorithms and produces images that are, in general, of the same quality. Measured images of several phantoms are shown. Important results include angular resolutions as low as 4.4{degrees}, reproduction of phantom size and position within 7%, and contrast recovery of 84% or better. Spectral imaging is demonstrated with independent images from a multi-energy phantom consisting of two sources imaged simultaneously.
Circular magnetic x-ray dichroism in rare earth compounds: This report discusses the following topics: Circular magnetic x-ray dichroism at the ER L{sub 3} Edge; angular dependence of circular magnetic x-ray dichroism in rare earth compounds: and circular magnetic x-ray dichroism in crystalline and amorphous GDFE{sub 2}.
Analysis of dynamic testing performed on structural clay tile infilled frames: The behavior of two structural clay tile infilled frames subjected to dynamic loading is investigated. The testing was performed by USACERL using a biaxial shake table machine on which two framed infills were spaced nine feet apart and connected by steel trusses and an eight inch concrete roof slab. The infills were composed of structural clay tile block which were laid with the cores horizontal. The specimen was loaded in both the out-of-plane and in-plane directions using a site specific time history record. The testing focused on determining frame and panel load-deflection behavior, acceleration amplification, and frequency degradation characteristics. The out-of-plane tests resulted in little degradation of frequency which means there was little loss of stiffness. There was no evidence of the infill {open_quotes}walking-out{close_quotes} of the steel frame; in fact the infill still had substantial stability after completion of the out-of-plane tests. As a result of the gradual increase in ground motion in the in-plane testing, the stiffness of the specimen gradually decreased. Strength and stiffness characteristics obtained from the dynamic testing were comparable to results and behavior seen in static tests. Degradation in the panel was much more rapid under the stronger ground motions which were produced during the sine sweep tests.
Inner-shell photoionized x-ray lasers: The inner-shell photoionized x-ray lasing scheme is an attractive method for achieving x-ray lasing at short wavelengths, via population inversion following inner-shell photoionization (ISPI). This scheme promises both a short wavelength and a short pulse source of coherent x rays with high average power. In this dissertation a very complete study of the ISPI x-ray laser scheme is done concerning target structure, filter design and lasant medium. An investigation of the rapid rise time of x-ray emission from targets heated by an ultra-short pulse high-intensity optical laser was conducted for use as the x-ray source for ISPI x-ray lasing. Lasing by this approach in C at a wavelength of 45 {angstrom} requires a short pulse (about 50 fsec) driving optical laser with an energy of 1-5 J and traveling wave optics with an accuracy of {approximately} 15 {micro}m. The optical laser is incident on a high-Z target creating a high-density plasma which emits a broadband spectrum of x rays. This x-ray source is passed through a filter to eliminate the low-energy x rays. The remaining high-energy x rays preferentially photoionize inner-shell electrons resulting in a population inversion. Inner-shell photoionized x-ray lasing relies on the large energy of a K-{alpha} transition in the initially neutral lasant. The photo energy required to pump this scheme is only slightly greater than the photon energy of the lasing transition yielding a lasing scheme with high quantum efficiency. However, the overall efficiency is reduced due to low x-ray conversion efficiency and the large probability of Auger decay yielding an overall efficiency of {approximately} 10{sup {minus}7} resulting in an output energy of {micro}J's. They calculate that a driving laser with a pulse duration of 40 fs, a 10{micro}m x 1 cm line focus, and an energy of 1 J gives an effective gain length product (gl) …
A technique using a stellar spectrographic plate to measure terrestrial ozone column depth: This thesis examines the feasibility of a technique to extract ozone column depths from photographic stellar spectra in the 5000--7000 Angstrom spectral region. A stellar spectrographic plate is measured to yield the relative intensity distribution of a star`s radiation after transmission through the earth`s atmosphere. The amount of stellar radiation absorbed by the ozone Chappuis band is proportional to the ozone column depth. The measured column depth is within 10% the mean monthly value for latitude 36{degree}N, however the uncertainty is too large to make the measurement useful. This thesis shows that a 10% improvement to the photographic sensitivity uncertainty can decrease the column depth uncertainty to a level acceptable for climatic study use. This technique offers the possibility of measuring past ozone column depths.
Thermal depinning of a single superconducting vortex: Thermal depinning has been studied for a single vortex trapped in a superconducting thin film in order to determine the value of the superconducting order parameter and the superfluid density when the vortex depins and starts to move around the film. For the Pb film in Pb/Al/Al{sub 2}O{sub 3}/PbBi junction having a gold line, the vortex depins from the artificial pinning site (Au line) and reproducibly moves through the same sequence of other pinning sites before it leaves the junction area of the Pb film. Values of the normalized order parameter {triangle}/{triangle}{sub o} vary from {triangle}/{triangle}{sub o}=0.20 at the first motion of the vortex to {triangle}/{triangle}{sub o}=0.16 where the vortex finally leaves the junction. Equivalently, the value of the normalized superfluid density changes from 4% to 2.5% for this sample in this same temperature interval. For the Nb film in Nb/Al/Al{sub 2}O{sub 3}/Nb junction, thermal depinning occurs when the value of {triangle}/{triangle}{sub o} is approximately 0.22 and the value of {rho}{sub s}/{rho}{sub so} is approximately 5%. These values are about 20% larger than those of a Pb sample having a gold line, but the values are really very close. For the Nb sample, grain boundaries are important pinning sites whereas, for the Pb sample with a gold line, pinning may have been dominated by an array Pb{sub 3}AU precipitates. Because roughly the same answer was obtained for these rather different kinds of pinning site, there is a reasonable chance that this is a general value within factors of 2 for a wide range of materials.
The interaction of intense subpicosecond laser pulses with underdense plasmas: Laser-plasma interactions have been of interest for many years not only from a basic physics standpoint, but also for their relevance to numerous applications. Advances in laser technology in recent years have resulted in compact laser systems capable of generating (psec), 10{sup 16} W/cm{sup 2} laser pulses. These lasers have provided a new regime in which to study laser-plasma interactions, a regime characterized by L{sub plasma} {ge} 2L{sub Rayleigh} > c{tau}. The goal of this dissertation is to experimentally characterize the interaction of a short pulse, high intensity laser with an underdense plasma (n{sub o} {le} 0.05n{sub cr}). Specifically, the parametric instability known as stimulated Raman scatter (SRS) is investigated to determine its behavior when driven by a short, intense laser pulse. Both the forward Raman scatter instability and backscattered Raman instability are studied. The coupled partial differential equations which describe the growth of SRS are reviewed and solved for typical experimental laser and plasma parameters. This solution shows the growth of the waves (electron plasma and scattered light) generated via stimulated Raman scatter. The dispersion relation is also derived and solved for experimentally accessible parameters. The solution of the dispersion relation is used to predict where (in k-space) and at what frequency (in {omega}-space) the instability will grow. Both the nonrelativistic and relativistic regimes of the instability are considered.
The Development and Application of Reactive Transport Modeling Techniques to Study Radionuclide Migration at Yucca Mountain, NV: Yucca Mountain, Nevada has been chosen as a possible site for the first high level radioactive waste repository in the United States. As part of the site investigation studies, we need to make scientifically rigorous estimations of radionuclide migration in the event of a repository breach. Performance assessment models used to make these estimations are computationally intensive. We have developed two reactive transport modeling techniques to simulate radionuclide transport at Yucca Mountain: (1) the selective coupling approach applied to the convection-dispersion-reaction (CDR) model and (2) a reactive stream tube approach (RST). These models were designed to capture the important processes that influence radionuclide migration while being computationally efficient. The conventional method of modeling reactive transport models is to solve a coupled set of multi-dimensional partial differential equations for the relevant chemical components in the system. We have developed an iterative solution technique, denoted the selective coupling method, that represents a versatile alternative to traditional uncoupled iterative techniques and the filly coupled global implicit method. We show that selective coupling results in computational and memory savings relative to these approaches. We develop RST as an alternative to the CDR method for solving large two- or three-dimensional reactive transport simulations for cases in which one is interested in predicting the flux across a specific control plane. In the RST method, the multidimensional problem is reduced to a series of one-dimensional transport simulations along streamlines. The key assumption with RST is that mixing at the control plane approximates the transverse dispersion between streamlines. We compare the CDR and RST approaches for several scenarios that are relevant to the Yucca Mountain Project. For example, we apply the CDR and RST approaches to model an ongoing field experiment called the Unsaturated Zone Transport Test.
The Effects Of Structural Setting On The Azimuthal Velocities Of Blast Induced Ground Motion In Perlite: A series of small scale explosive tests were performed during the spring of 1994 at a perlite mine located near Socorro, NM. The tests were designed to investigate the azimuthal or directional relationship between small scale geologic structures such as joints and the propagation of explosively induced ground motion. Three shots were initiated within a single borehole located at ground zero (gz) at depths varying from the deepest at 83 m (272 ft) to the shallowest at 10 m (32 ft). The intermediate shot was initiated at a depth of 63 m (208 ft). An array of three component velocity and acceleration transducers were placed in two concentric rings entirely surrounding the single shot hole at 150 and 300 azimuths as measured from ground zero. Data from the transducers was then used to determine the average propagation velocity of the blast vibration through the rock mass at the various azimuths. The rock mass was mapped to determine the prominent joint orientations (strike and dip) and the average propagation velocities were correlated with this geologic information. The data from these experiments shows that there is a correlation between the orientation of prominent joints and the average velocity of ground motion. It is theorized that this relationship is due to the relative path the ground wave follows when encountering a joint or structure within the rock mass. The more prominent structures allow the wave to follow along their strike thereby forming a sort of channel or path of least resistance and in turn increasing the propagation velocity. Secondary joints or structures may act in concert with more prominent features to form a network of channels along which the wave moves more freely than it may travel against the structure. The amplitudes of the ground motion was also shown to vary azimuthally with …
Crossed molecular beams study of O({sup 1}D) reactions with H{sub 2} molecules: Reaction dynamics of O({sup 1}D) atoms with H{sub 2} molecules was reinvestigated using the crossed molecular beams technique with pulsed beams. The O({sup 1}D) beam was generated by photodissociating O{sub 3} molecules at 248 nm. Time-of-flight spectra and the laboratory angular distribution of the OH products were measured. The derived OH product center-of-mass flux-velocity contour diagram shows more backward scattered intensity with respect to the O({sup 1}D) beam. In contrast to previous studies which show that the insertion mechanism is the dominant process, our results indicate that the contribution from the collinear approach of the O({sup 1}D) atom to the H{sub 2} molecule on the first excited state potential energy surface is significant and the energy barrier for the collinear approach is therefore minimal. Despite the increased time resolution in this experiment, no vibrational structure in the OH product time-of-flight spectra was resolved. This is in agreement with LIF studies, which have shown that the rotational distributions of the OH products in all vibrational states are broad and highly inverted.
Applications of capillary electrophoresis and laser-induced fluorescence detection to the analysis of trace species: From single cells to single molecules: This Ph.D. Thesis describes several separation and detection schemes for the analysis of small volume and amount of samples, such as intracellular components and single enzymes developed during research. Indirect Laser-induced fluorescence detection and capillary electrophoresis were used to quantify lactate and pyruvate in single red blood cells. The assay of specific enzyme activities was achieved by monitoring the highly fluorescent enzymatic reaction product, NADH. LDH activity was found not to be a unique marker for diagnosis of leukemia. Reactions of single LDH-1 molecules were investigated by monitoring the reaction product with LIF detection.
Stability Constants Important to the Understanding of Plutonium in Environmental Waters, Hydroxy and Carbonate Complexation of Puo{Sub 2}{Sup +}: The formation constants for the reactions PuO{sub 2}{sup +} + H{sub 2}O = PuO{sub 2}(OH) + H{sup +} and PuO{sub 2}{sup +} + CO{sub 3}{sup 2} = PuO{sub 2}(CO{sub 3}){sup {minus}} were determined in aqueous sodium perchlorate solutions by laser-induced photoacoustic spectroscopy. The molar absorptivity of the PuO{sub 2}{sup +} band at 569 nm decreased with increasing hydroxide concentration. Similarly, spectral changes occurred between 540 and 580 nm as the carbonate concentration was increased. The absorption data were analyzed by the non-linear least-squares program SQUAD to yield complexation constants. Using the specific ion interaction theory, both complexation constants were extrapolated to zero ionic strength. These thermodynamic complexation constants were combined with the oxidation-reduction potentials of Pu to obtain Eh versus pH diagrams. 120 refs., 35 figs., 12 tabs.
Neotectonics of the southern Amargosa Desert, Nye County, Nevada and Inyo County, California: A complex pattern of active faults occurs in the southern Amargosa Desert, southern Nye, County, Nevada. These faults can be grouped into three main fault systems: (1) a NE-striking zone of faults that forms the southwest extension of the left-lateral Rock Valley fault zone, in the much larger Spotted Range-Mine Mountain structural zone, (2) a N-striking fault zone coinciding with a NNW-trending alignment of springs that is either a northward continuation of a fault along the west side of the Resting Spring Range or a N-striking branch fault of the Pahrump fault system, and (3) a NW-striking fault zone which is parallel to the Pahrump fault system, but is offset approximately 5 km with a left step in southern Ash Meadows. These three fault zones suggest extension is occurring in an E-W direction, which is compatible with the {approximately}N10W structural grain prevalent in the Death Valley extensional region to the west.
Mesozoic and Cenozoic structural geology of the CP Hills, Nevada Test Site, Nye County, Nevada; and regional implications: Detailed mapping and structural analysis of upper Proterozoic and Paleozoic rocks in the CP Hills of the Nevada Test Site, together with analysis of published maps and cross sections and a reconnaissance of regional structural relations indicate that the CP thrust of Barnes and Poole (1968) actually comprises two separate, oppositely verging Mesozoic thrust systems: (1) the west-vergent CP thrust which is well exposed in the CP Hills and at Mine Mountain, and (2) the east-vergent Belted Range thrust located northwest of Yucca Flat. West-vergence of the CP thrust is indicated by large scale west-vergent recumbent folds in both its hangingwall and footwall and by the fact that the CP thrust ramps up section through hangingwall strata toward the northwest. Regional structural relations indicate that the CP thrust forms part of a narrow sigmoidal belt of west-vergent folding and thrusting traceable for over 180 km along strike. The Belted Range thrust represents earlier Mesozoic deformation that was probably related to the Last Chance thrust system in southeastern California, as suggested by earlier workers. A pre-Tertiary reconstruction of the Cordilleran fold and thrust belt in the region between the NTS and the Las Vegas Range bears a close resemblance to other regions of the Cordillera and has important implications for the development of hinterland-vergent deformation as well as for the probable magnitude of Tertiary extension north of Las Vegas Valley. Subsequent to Mesozoic deformation, the CP Hills were disrupted by at least two episodes of Tertiary extensional deformation: (1) an earlier episode represented by pre-middle Miocene low-angle normal faults, and (2) a later, post-11 Ma episode of high-angle normal faulting. Both episodes of extension were related to regional deformation, the latter of which has resulted in the present basin and range topography of the NTS region.
Noble Gas Measurement and Analysis Technique for Monitoring Reprocessing Facilities: An environmental monitoring technique using analysis of stable noble gas isotopic ratios on-stack at a reprocessing facility was developed. This technique integrates existing technologies to strengthen safeguards at reprocessing facilities. The isotopic ratios are measured using a mass spectrometry system and are compared to a database of calculated isotopic ratios using a Bayesian data analysis method to determine specific fuel parameters (e.g., burnup, fuel type, fuel age, etc.). These inferred parameters can be used by investigators to verify operator declarations. A user-friendly software application (named NOVA) was developed for the application of this technique. NOVA included a Visual Basic user interface coupling a Bayesian data analysis procedure to a reactor physics database (calculated using the Monteburns 3.01 code system). The integrated system (mass spectrometry, reactor modeling, and data analysis) was validated using on-stack measurements during the reprocessing of target fuel from a U.S. production reactor and gas samples from the processing of EBR-II fast breeder reactor driver fuel. These measurements led to an inferred burnup that matched the declared burnup with sufficient accuracy and consistency for most safeguards applications. The NOVA code was also tested using numerous light water reactor measurements from the literature. NOVA was capable of accurately determining spent fuel type, burnup, and fuel age for these experimental results. Work should continue to demonstrate the robustness of this system for production, power, and research reactor fuels.
Characterization of leaky faults: Leaky faults provide a flow path for fluids to move underground. It is very important to characterize such faults in various engineering projects. The purpose of this work is to develop mathematical solutions for this characterization. The flow of water in an aquifer system and the flow of air in the unsaturated fault-rock system were studied. If the leaky fault cuts through two aquifers, characterization of the fault can be achieved by pumping water from one of the aquifers, which are assumed to be horizontal and of uniform thickness. Analytical solutions have been developed for two cases of either a negligibly small or a significantly large drawdown in the unpumped aquifer. Some practical methods for using these solutions are presented. 45 refs., 72 figs., 11 tabs.
Inertial fusion energy target injection, tracking, and beam pointing: Several cryogenic targets must be injected each second into a reaction chamber. Required target speed is about 100 m/s. Required accuracy of the driver beams on target is a few hundred micrometers. Fuel strength is calculated to allow acceleration in excess of 10,000 m/s{sup 2} if the fuel temperature is less than 17 K. A 0.1 {mu}m thick dual membrane will allow nearly 2,000 m/s{sup 2} acceleration. Acceleration is gradually increased and decreased over a few membrane oscillation periods (a few ms), to avoid added stress from vibrations which could otherwise cause a factor of two decrease in allowed acceleration. Movable shielding allows multiple targets to be in flight toward the reaction chamber at once while minimizing neutron heating of subsequent targets. The use of multiple injectors is recommended for redundancy which increases availability and allows a higher pulse rate. Gas gun, rail gun, induction accelerator, and electrostatic accelerator target injection devices are studied, and compared. A gas gun is the preferred device for indirect-drive targets due to its simplicity and proven reliability. With the gas gun, the amount of gas required for each target (about 10 to 100 mg) is acceptable. A revolver loading mechanism is recommended with a cam operated poppet valve to control the gas flow. Cutting vents near the muzzle of the gas gun barrel is recommended to improve accuracy and aid gas pumping. If a railgun is used, we recommend an externally applied magnetic field to reduce required current by an order of magnitude. Optical target tracking is recommended. Up/down counters are suggested to predict target arrival time. Target steering is shown to be feasible and would avoid the need to actively point the beams. Calculations show that induced tumble from electrostatically steering the target is not excessive.
Dynamical studies of periodic and disordered systems: The time evolution of two classes of systems is studied with real time molecular dynamics simulations. The first consists of a coupled electron-lattice system. For a periodic system, we present results for the time evolution of a one-dimensional system consisting of an electron, described by a tight-binding Hamiltonian, and a harmonic lattice, coupled by a deformation-type potential. We solve numerically the nonlinear system of equations of motion for this model in order to study the effects of varying the electronic effective mass for several initial conditions and coupling strengths. A large effective mass favors localized polaron formation for initially localized electrons. For initially extended electronic states, increasing the effective mass of an electron initially close to the bottom of the band makes localization more difficult, while for an initially highly excited electronlocalized polaron formation is possible only when the electronic effective mass and the atomic masses of the lattice become of the same order.
Fundamental studies of the plasma extraction and ion beam formation processes in inductively coupled plasma mass spectrometry: The fundamental and practical aspects are described for extracting ions from atmospheric pressure plasma sources into an analytical mass spectrometer. Methodologies and basic concepts of inductively coupled plasma mass spectrometry (ICP-MS) are emphasized in the discussion, including ion source, sampling interface, supersonic expansion, slumming process, ion optics and beam focusing, and vacuum considerations. Some new developments and innovative designs are introduced. The plasma extraction process in ICP-MS was investigated by Langmuir measurements in the region between the skimmer and first ion lens. Electron temperature (T{sub e}) is in the range 2000--11000 K and changes with probe position inside an aerosol gas flow. Electron density (n{sub e}) is in the range 10{sup 8}--10{sup 10} {sup {minus}cm }at the skimmer tip and drops abruptly to 10{sup 6}--10{sup 8} cm{sup {minus}3} near the skimmer tip and drops abruptly to 10{sup 6}--10{sup 8} cm{sup {minus}3} downstream further behind the skimmer. Electron density in the beam leaving the skimmer also depends on water loading and on the presence and mass of matrix elements. Axially resolved distributions of electron number-density and electron temperature were obtained to characterize the ion beam at a variety of plasma operating conditions. The electron density dropped by a factor of 101 along the centerline between the sampler and skimmer cones in the first stage and continued to drop by factors of 10{sup 4}--10{sup 5} downstream of skimmer to the entrance of ion lens. The electron density in the beam expansion behind sampler cone exhibited a 1/z{sup 2} intensity fall-off (z is the axial position). An second beam expansion originated from the skimmer entrance, and the beam flow underwent with another 1/z{sup 2} fall-off behind the skimmer. Skimmer interactions play an important role in plasma extraction in the ICP-MS instrument.
The use of synthetic colloids in tracer transport experiments in saturated rock fractures: Studies of groundwater flow and contaminant transport in saturated, fractured geologic media are of great interest to researchers studying the potential long-term storage of hazardous wastes in or near such media. A popular technique for conducting such studies is to introduce tracers having different chemical and physical properties into a system and then observe the tracers at one or more downstream locations, inferring flow and transport mechanisms from the breakthrough characteristics of the different tracers. Many tracer studies have been conducted in saturated, fractured media to help develop and/or refine models capable of predicting contaminant transport over large scales in such media.
Effect of Operating Parameters and Chemical Additives on Crystal Habit and Specific Cake Resistance of Zinc Hydroxide Precipitates: The effect of process parameters and chemical additives on the specific cake resistance of zinc hydroxide precipitates was investigated. The ability of a slurry to be filtered is dependent upon the particle habit of the solid and the particle habit is influenced by certain process variables. The process variables studied include neutralization temperature, agitation type, and alkalinity source used for neutralization. Several commercially available chemical additives advertised to aid in solid/liquid separation were also examined in conjunction with hydroxide precipitation. A statistical analysis revealed that the neutralization temperature and the source of alkalinity were statistically significant in influencing the specific cake resistance of zinc hydroxide precipitates in this study. The type of agitation did not significantly effect the specific cake resistance of zinc hydroxide precipitates. The use of chemical additives in conjunction with hydroxide precipitation had a favorable effect on the filterability. The morphology of the hydroxide precipitates was analyzed using scanning electron microscopy.
Photoelectron holography applied to surface structural determination: Photoemitted electron waves are used as coherent source waves for angstrom-scale holographic imaging of local atomic geometry at surfaces. Electron angular distribution patterns are collected above a sample surface and serve as a record of the interference between source wave and waves scattered from surrounding ion cores. Using a mathematical imaging integral transformation, the three-dimensional structural information is obtained directly from these collected patterns. Patterns measured with different electron kinetic energies are phase-summed for image improvement. Pt (111) surface is used as a model system. A pattern 9.6{angstrom}{sup {minus}1} (351 eV) is used to generate a full 3-D image of atom locations around an emitter with nearest neighbors within 0.l{angstrom} of the expected bulk positions. Atoms several layers beyond the nearest neighbors are also apparent. Twin-image reduction and artifact suppression is obtained by phase-summing eight patterns measured from 8.8 to 10.2{angstrom}{sup {minus}1} (295 to 396 eV). 32 were measured in 0.2{angstrom}{sup {minus}1} steps from 6.0 to 12.2{angstrom}{sup {minus}1} (137 to 567 eV) are presented here. Simple models of two-slit interference are compared with electron scattering to illuminate understanding of holographic recording of the structural information. This also shows why it sometimes fails due to destructive interferences. Simple theoretical models of electron scattering are compared to experiment to show the origin of the structural information and the differences that result from atomic scattering and from the source wave. Experimental parameters and their relation to imaging is discussed. Comparison is made to the Pt pattern measured at 351 eV using the simple theoretical model. The remaining data set is also modeled, and the eight appropriate theoretical patterns are used to regenerate the multiple-wavenumber experimental result. A clean Cu (001) surface is also measured and imaged.
High pressure studies on nanometer sized clusters: Structural, optical, and cooperative properties: High-pressure Se EXAFS is used to study pressure-induced structural transformations in CdSe nanocrystals. The transformation is wurtzite to rock salt, at a pressure much higher than in bulk. High-pressure XRD is used to confirm the EXAFS results. Diffraction peak widths indicate that nanocrystals do not fragment upon transformation. Optical absorption correlates with structural transformations and is used to measure transition pressures; transformation pressure increases smoothly as nanocrystal size decreases. Thermodynamics of transformation is modeled using an elevated surface energy in the high-pressure phase. High-pressure study of Si nanocrystals show large increases in transformation pressure in crystallites to 500{angstrom} diameter, and an overall change in crystallite shape upon transformation is seen from XRD line widths. C{sub 60} single crystals were studied using Raman scattering; results provide information about the clusters` rotational state. Optical properties of high-pressure phase CdSe clusters were studied.
Microstructural development of rapid solidification in Al-Si powder: The microstructure and the gradient of microstructure that forms in rapidly solidificated powder were investigated for different sized particles. High pressure gas atomization solidification process has been used to produce a series of Al-Si alloys powders between 0.2 {mu}m to 150 {mu}m diameter at the eutectic composition (12.6 wt pct Si). This processing technique provides powders of different sizes which solidify under different conditions (i.e. interface velocity and interface undercooling), and thus give different microstructures inside the powders. The large size powder shows dendritic and eutectic microstructures. As the powder size becomes smaller, the predominant morphology changes from eutectic to dendritic to cellular. Microstructures were quantitatively characterized by using optical microscope and SEM techniques. The variation in eutectic spacing within the powders were measured and compared with the theoretical model to obtain interface undercooling, and growth rate during the solidification of a given droplet. Also, nucleation temperature, which controls microstructures in rapidly solidified fine powders, was estimated. A microstructural map which correlates the microstructure with particle size and processing parameters is developed.
A study of Ag/Ag(100) thin film growth with scanning tunneling microscopy: Thin films are attracting more and more attention in both the industrial and scientific communities. Many applications of thin films have been developed in industry. By using various growth methods, thin films can be used in optics, microelectronic devices, magnetic recording media, and as protective coatings. In order to improve existing applications and to find new ones, it is essential to understand what makes them so useful in applications and what factors affect their properties. Therefore, an understanding of film growth processes is necessary. Scientifically, many fundamental interactions, such as the interaction between the atoms that comprise the film and substrate, or the interaction between film atoms, are of great interest to surface scientists; studies of these interactions can provide dramatic insights into the nature of thin films and therefore, can further drive technology forward. In every application, the film structures, including morphology and microstructure, and adhesion between film and substrate are critical to the film`s properties and therefore its performance. Studies of the mechanisms that control film morphology, microstructure and adhesion thus are important. Film growth kinetics can provide important information regarding the film structure and adhesion. Film growth is an atomistic process. The chemistry and physics of the system can be better understood if the information provided is at an atomic level.
A new mechanical characterization method for thin film microactuators and its application to NiTiCi shape memory alloy: In an effort to develop a more full characterization tool of shape memory alloys, a new technique is presented for the mechanical characterization of microactuators and applied to SMA thin films. A test instrument was designed to utilize a spring-loaded transducer in measuring displacements with resolution of 1.5 pm and forces with resolution of 0.2 mN. Employing an out-of-plane loading method for freestanding SMA thin films, strain resolution of 30{mu}{epsilon} and stress resolution of 2.5 MPa were achieved. This new testing method is presented against previous SMA characterization methods for purposes of comparison. Four mm long, 2 {micro}m thick NiTiCu ligaments suspended across open windows were bulk micromachined for use in the out-of-plane stress and strain measurements. The fabrication process used to micromachine the ligaments is presented step-by-step, alongside methods of fabrication that failed to produce testable ligaments. Static analysis showed that 63% of the applied strain was recovered while ligaments were subjected to tensile stresses of 870 MPa. In terms of recoverable stress and recoverable strain, the ligaments achieved maximum recovery of 700 MPa and 3.0% strain. No permanent deformations were seen in any ligament during deflection measurements. Maximum actuation forces and displacements produced by the 4 mm ligaments situated on 1 cm square test chips were 56 mN and 300 {micro}m, respectively. Fatigue analysis of the ligaments showed degradation in recoverable strain from 0.33% to 0.24% with 200,000 cycles, corresponding to deflections of 90 {micro}m and forces of 25 mN. Cycling also produced a wavering shape memory effect late in ligament life, leading to broad inconsistencies of as much as 35% deviation from average. Unexpected phenomena like stress-induced martensitic twinning that leads to less recoverable stress and the shape memory behavior of long life devices are addressed. Finally, a model for design of microactuators using shape memory alloys …
Intermolecula transfer and elimination of molecular hydrogen in thermal reactions of unsaturated organic compounds: Two reactions which are important to coal liquefaction include intermolecular transfer and the elimination of two hydrogen atoms. We have designed several model reactions to probe the viability of several hydrogen transfer and elimination pathways. This report described studies on these reactions using organic model compounds.
New electrolyte systems for capillary zone electrophoresis of metal cations and non-ionic organic compounds: Excellent separations of metal ions can be obtained very quickly by capillary electrophoresis provided a weak complexing reagent is incorporated into the electrolyte to alter the effective mobilities of the sample ions. Indirect photometric detection is possible by also adding a UV-sensitive ion to the electrolyte. Separations are described using phthalate, tartrate, lactate or hydroxyisobutyrate as the complexing reagent. A separation of twenty-seven metal ions was achieved in only 6 min using a lactate system. A mechanism for the separation of lanthanides is proposed for the hydroxyisobutyrate system.
NMR and NQR study of the thermodynamically stable quasicrystals: {sup 27}Al and {sup 61,65}Cu NMR measurements are reported for powder samples of stable AlCuFe and AlCuRu icosahedral quasicrystals and their crystalline approximants, and for a AlPdMn single grain quasicrystal. Furthermore, {sup 27}Al NQR spectra at 4.2 K have been observed in the AlCuFe and AlCuRu samples. From the quadrupole perturbed NMR spectra at different magnetic fields, and from the zero field NQR spectra, a wide distribution of local electric field gradient (EFG) tensor components and principal axis system orientations was found at the Al site. A model EFG calculation based on a 1/1 AlCuFe approximant was successful in explaining the observed NQR spectra. It is concluded that the average local gradient is largely determined by the p-electron wave function at the Al site, while the width of the distribution is due to the lattice contribution to the EFG. Comparison of {sup 63}Cu NMR with {sup 27}Al NMR shows that the EFG distribution at the two sites is similar, but that the electronic contribution to the EFG is considerably smaller at the Cu site, in agreement with a more s-type wave function of the conduction electrons.
Application of a-Si:H radiation detectors in medical imaging: Monte Carlo simulations of a proposed a-Si:H-based current-integrating gamma camera were performed. The analysis showed that the intrinsic resolution of such a camera was 1 {approximately} 2.5 mm, which is somewhat better than that of a conventional gamma camera, and that the greater blurring, due to the detection of scattered {gamma}-rays, could be reduced considerably by image restoration techniques. This proposed gamma camera would be useful for imaging shallow organs such as the thyroid. Prototype charge-storage a-Si:H pixel detectors for such a camera were designed, constructed and tested. The detectors could store signal charge as long as 5 min at {minus}26C. The thermal generation current in reverse biased a-Si:H p-i-n photodetectors was investigated, and the Poole-Frenkel effect was found to be the most significant source of the thermal generation current. Based on the Poole-Frenkel effect, voltage- and time-dependent thermal generation current was modeled. Using the model, the operating conditions of the proposed a-Si:H gamma camera, such as the operating temperature, the operating bias and the {gamma}-scan period, could be predicted. The transient photoconductive gain mechanism in various a-Si:H devices was investigated for applications in digital radiography. Using the a-Si:H photoconductors in n-i-n configuration in pixel arrays, enhancement in signal collection (more than 200 times higher signal level) can be achieved in digital radiography, compared to the ordinary p-i-n type a-Si:H x-ray imaging arrays.

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