Methods are presented for synthesizing nanocrystal heterostructures comprised of two semiconductor materials epitaxially attached within individual nanostructures. The chemical transformation of cation exchange, where the cations within the lattice of an ionic nanocrystal are replaced with a different metal ion species, is used to alter the chemical composition at specific regions ofa nanocrystal. Partial cation exchange was performed in cadmium sulfide (CdS) nanorods of well-defined size and shape to examine the spatial organization of materials within the resulting nanocrystal heterostructures. The selectivity for cation exchange to take place at different facets of the nanocrystal plays an important role in determining the resulting morphology of the binary heterostructure. The exchange of copper (I) (Cu+) cations in CdS nanorods occurs preferentially at the ends of the nanorods. Theoretical modeling of epitaxial attachments between different facets of CdS and Cu2S indicate that the selectivity for cation exchange at the ends of the nanorods is a result of the low formation energy of the interfaces produced. During silver (I) (Ag+) cation exchange in CdS nanorods, non-selective nucleation of silver sulfide (Ag2S), followed by partial phase segregation leads to significant changes in the spatial arrangement of CdS and Ag2S regions at the exchange reaction proceeds …

The capacitance of the edge plane of pyrolytic graphite electrodes, in acetonitrile solutions, is measured by recording the current response to an applied triangular voltage sweep; TVS, and then fitting the current response with an appropriate function, (via a set of adjustable parameters). The pretreatment of the electrodes, the supporting electrolyte concentration used, and the frequency of the input TVS, were all found to affect the measured capacitance. In these experiments, a background current was also seen and the shape of the current output for the TVS; the charging/discharging curve, is shown to correlate with the magnitude of this background current. In addition, the size of the background current was found to have some dependence on the type of electrode pretreatment procedure used. 60 refs., 49 figs., 3 tabs.

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.

Sum frequency generation (SFG) vibrational spectroscopy, atomic force microscopy (AFM), and other complementary surface-sensitive techniques have been used to study the surface molecular structure and surface mechanical behavior of biologically-relevant polymer systems. SFG and AFM have emerged as powerful analytical tools to deduce structure/property relationships, in situ, for polymers at air, liquid and solid interfaces. The experiments described in this dissertation have been performed to understand how polymer surface properties are linked to polymer bulk composition, substrate hydrophobicity, changes in the ambient environment (e.g., humidity and temperature), or the adsorption of macromolecules. The correlation of spectroscopic and mechanical data by SFG and AFM can become a powerful methodology to study and engineer materials with tailored surface properties. The overarching theme of this research is the interrogation of systems of increasing structural complexity, which allows us to extend conclusions made on simpler model systems. We begin by systematically describing the surface molecular composition and mechanical properties of polymers, copolymers, and blends having simple linear architectures. Subsequent chapters focus on networked hydrogel materials used as soft contact lenses and the adsorption of protein and surfactant at the polymer/liquid interface. The power of SFG is immediately demonstrated in experiments which identify the chemical …

The Retinal Prosthesis project is a three year project conducted in part at the Lawrence Livermore National Laboratory and funded by the Department of Energy to create an epiretinal microelectrode array for stimulating retinal cells. The implant must be flexible to conform to the retina, robust to sustain handling during fabrication and implantation, and biocompatible to withstand physiological conditions within the eye. Using poly(dimethyl siloxane) (PDMS), LLNL aims to use microfabrication techniques to increase the number of electrodes and integrate electronics. After the initial designs were fabricated and tested in acute implantation, it became obvious that there was a need to characterize and understand the mechanical and electrical properties of these new structures. This knowledge would be imperative in gaining credibility for polymer microfabrication and optimizing the designs. Thin composite microfabricated devices are challenging to characterize because they are difficult to handle, and exhibit non-linear, viscoelastic, and anisotropic properties. The objective of this research is to device experiments and protocols, develop an analytical model to represent the composite behavior, design and fabricate test structures, and conduct experimental testing to determine the mechanical and electrical properties of PDMS-metal composites. Previous uniaxial stretch tests show an average of 7% strain before failure …

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In the last two decades, the field of nanoscience andnanotechnology has witnessed tremendous advancement in the synthesis andapplication of group II-VI colloidal nanocrystals. The synthesis based onhigh temperature decomposition of organometallic precursors has becomeone of the most successful methods of making group II-VI colloidalnanocrystals. This method is first demonstrated by Bawendi and coworkersin 1993 to prepare cadmium chalcogenide colloidal quantum dots and laterextended by others to prepare other group II-VI quantum dots as well asanisotropic shaped colloidal nanocrystals, such as nanorod and tetrapod.This dissertation focuses on the chemistry of this type of nanocrystalsynthesis. The synthesis of group II-VI nanocrystals was studied bycharacterizing the molecular structures of the precursors and productsand following their time evolution in the synthesis. Based on theseresults, a mechanism was proposed to account for the 2 reaction betweenthe precursors that presumably produces monomer for the growth ofnanocrystals. Theoretical study based on density functional theorycalculations revealed the detailed free energy landscape of the precursordecomposition and monomerformation pathway. Based on the proposedreaction mechanism, a new synthetic method was designed that uses wateras a novel reagent to control the diameter and the aspect ratio of CdSeand CdS nanorods.

In the last two decades, the field of nanoscience andnanotechnology has witnessed tremendous advancement in the synthesis andapplication of group II-VI colloidal nanocrystals. The synthesis based onhigh temperature decomposition of organometallic precursors has becomeone of the most successful methods of making group II-VI colloidalnanocrystals. This methodis first demonstrated by Bawendi and coworkersin 1993 to prepare cadmium chalcogenide colloidal quantum dots and laterextended by others to prepare other group II-VI quantum dots as well asanisotropic shaped colloidal nanocrystals, such as nanorod and tetrapod.This dissertation focuses on the chemistry of this type of nanocrystalsynthesis. The synthesis of group II-VI nanocrystals was studied bycharacterizing the molecular structures of the precursors and productsand following their time evolution in the synthesis. Based on theseresults, a mechanism was proposed to account for the 2 reaction betweenthe precursors that presumably produces monomer for the growth ofnanocrystals. Theoretical study based on density functional theorycalculations revealed the detailed free energy landscape of the precursordecomposition and monomerformation pathway. Based on the proposedreaction mechanism, a new synthetic method was designed that uses wateras a novel reagent to control the diameter and the aspect ratio of CdSeand CdS nanorods.

The Cloudy Quark Bag Model is extended from S-wave to P- and D-wave. The parameters of the model are determined by K{sup {minus}}p scattering cross section data, K{sup {minus}}p {yields}{Sigma}{pi}{pi}{pi} production data, K{sup {minus}}p threshold branching ratio data, and K{sup {minus}}p {yields}{Lambda}{pi}{pi}{pi} production data. The resonance structure of the {Lambda}(1405), {Sigma}(1385), and {Lambda}(1520) are studied in the model. The shift and width of kaonic hydrogen are calculated using the model.

In the fit part, the Compact Muon Solenoid (CMS) forward calorimeter design studies are presented. The forward calorimeter consists of quartz fibers embedded in a steel absorber. Radiation damage studies of the quartz fiber and the absorber as well as the results of the first pre-production prototype PPP-I are presented. In the second part, the {Omega}{sub c}{sup 0}search studies at the SELEX (E781) experiment at FermiLab are presented. 107 {+-} 22 {Omega}{sub c}{sup 0} events are observed in three decay modes. The relative branching ratio ({Omega}{sub c}{sup 0} {yields} {Omega}{sup -}{pi}{sup -}{pi}{sup +}{pi}{sup +})/{Beta}({Omega}{sub c}{sup 0} {yields} {Omega}{sup -}{pi}{sup +}) is measured as 2.00 {+-} 0.45(stat) {+-} 0.32(sys).

The coherent production of single pions and and {rho} mesons in charged current interactions of neutrinos and antineutrinos on neon nuclei has been studied. The data were obtained using the Fermilab 15-foot Bubble Chamber, filled with a heavy Ne-H{sub 2} mixture and exposed to the Quadrupole Triplet neutrino beam produced by 800 GeV protons from the Tevatron. The average beam energy was 86 GeV. In a sample of 330000 frames, 1032 two-prong {nu}{sub {mu}} + {bar {nu}}{sub {mu}} charged current interactions were selected. The goal of this study was to investigate the low Q{sup 2} high {nu} region where the hadron dominance model can be tested. In this model, the vector and axial-vector parts of the weak hadronic current are dominated by the {rho} and a{sub 1} mesons respectively. Moreover, the Partially Conserved Axial Current (PCAC) hypothesis can be tested by studying the coherent production of single pions.

This thesis reports the results from the theoretical investigations, both numerical and analytical, of collisionless relaxation phenomena in beam-plasma systems. Many results of this work can also be applied to other lossless systems of plasma physics, beam physics and astrophysics. Different aspects of the physics of collisionless relaxation and its modeling are addressed. A new theoretical framework, named Coupled Moment Equations (CME), is derived and used in numerical and analytical studies of the relaxation of second order moments such as beam size and emittance oscillations. This technique extends the well-known envelope equation formalism, and it can be applied to general systems with nonlinear forces. It is based on a systematic moment expansion of the Vlasov equation. In contrast to the envelope equation, which is derived assuming constant rms beam emittance, the CME model allows the emittance to vary through coupling to higher order moments. The CME model is implemented in slab geometry in the absence of return currents. The CME simulation yields rms beam sizes, velocity spreads and emittances that are in good agreement with particle-in-cell (PIC) simulations for a wide range of system parameters. The mechanism of relaxation is also considered within the framework of the CME system. It …

Neutron generators based on the {sup 2}H(d,n){sup 3}He and {sup 3}H(d,n){sup 4}He fusion reactions are the most commonly available neutron sources. The applications of current commercial neutron generators are often limited by their low neutron yield and their short operational lifetime. A new generation of D-D/D-T fusion-based neutron generators has been designed at Lawrence Berkeley National Laboratory (LBNL) by using high current ion beams hitting on a self-loading target that has a large surface area to dissipate the heat load. This thesis describes the rationale behind the new designs and their potential applications. A survey of other neutron sources is presented to show their advantages and disadvantages compared to the fusion-based neutron generator. A prototype neutron facility was built at LBNL to test these neutron generators. High current ion beams were extracted from an RF-driven ion source to produce neutrons. With an average deuteron beam current of 24 mA and an energy of 100 keV, a neutron yield of >10{sup 9} n/s has been obtained with a D-D coaxial neutron source. Several potential applications were investigated by using computer simulations. The computer code used for simulations and the variance reduction techniques employed were discussed. A study was carried out to …

The goal of this thesis is to determine under what conditions, if any, measurements of aerosol properties made at the Earth's surface are representative of aerosol properties within the column of air above the surface. This thesis will use data from the Atmospheric Radiation Measurement (ARM) site at the Southern Great Plains (SGP) which is the only location in the world where ground-based and in situ airborne measurements are made on a routine basis. All flight legs in the one-year period from March 2000-March 2001 were categorized as either within or above the atmospheric boundary layer using an objective mixing height determination technique. The correlations between the aerosol properties measured at the surface and the measured within and above the ABL were then computed. The conclusion of this comparison is that the aerosol extensive and intensive properties measured at the surface are representative of values within the ABL, but not within the free atmosphere.

We have measured and assigned rate constants for energy transfer between chromophores in the light-harvesting protein C-phycocyanin (PC), in the monomeric and trimeric aggregation states, isolated from Synechococcus sp. PCC 7002. In order to compare the measured rate constants with those predicted by Fdrster`s theory of inductive resonance in the weak coupling limit, we have experimentally resolved several properties of the three chromophore types ({beta}{sub 155} {alpha}{sub 84}, {beta}{sub 84}) found in PC monomers, including absorption and fluorescence spectra, extinction coefficients, fluorescence quantum yields, and fluorescence lifetimes. The cpcB/C155S mutant, whose PC is missing the {beta}{sub 155} chromophore, was, useful in effecting the resolution of the chromophore properties and in assigning the experimentally observed rate constants for energy transfer to specific pathways.

Accelerator physics is one of the most diverse multidisciplinary fields of physics, wherein the dynamics of particle beams is studied. It takes more than the understanding of basic electromagnetic interactions to be able to predict the beam dynamics, and to be able to develop new techniques to produce, maintain, and deliver high quality beams for different applications. In this work, some basic theory regarding particle beam dynamics in accelerators will be presented. This basic theory, along with applying state of the art techniques in beam dynamics will be used in this dissertation to study and solve accelerator physics problems. Two problems involving compensation are studied in the context of the MEIC (Medium Energy Electron Ion Collider) project at Jefferson Laboratory. Several chromaticity (the energy dependence of the particle tune) compensation methods are evaluated numerically and deployed in a figure eight ring designed for the electrons in the collider. Furthermore, transverse coupling optics have been developed to compensate the coupling introduced by the spin rotators in the MEIC electron ring design.

please delete the no. 17076<><DSN>13:017077<ABS>The P/sub 1/ multigroup code was written for the IBM-704 in order to determine the accuracy of the few- group diffusion scheme with various imposed conditions and also to provide an alternate computational method when this scheme fails to be sufficiently accurate. The code solves for the spatially dependent multigroup flux, taking into account such nuclear phenomena is slowing down of neutrons resulting from elastic and inelastic scattering, the removal of neutrons resulting from epithermal capture and fission resonances, and the regeneration of fist neutrons resulting from fissioning which may occur in any of as many as 80 fast multigroups or in the one thermal group. The code will accept as input a physical description of the reactor (that is: slab, cylindrical, or spherical geometry, number of points and regions, composition description group dependent boundary condition, transverse buckling, and mesh sizes) and a prepared library of nuclear properties of all the isotopes in each composition. The code will produce as output multigroup fluxes, currents, and isotopic slowing-down densities, in addition to pointwise and regionwise few-group macroscopic cross sections. (auth)

GAMESS, a quantum chetnistry program for electronic structure calculations, has been freely shared by high-performance application scientists for over twenty years. It provides a rich set of functionalities and can be run on a variety of parallel platforms through a distributed data interface. While a chemistry computation is sophisticated and hard to develop, the resource sharing among different chemistry packages will accelerate the development of new computations and encourage the cooperation of scientists from universities and laboratories. Common Component Architecture (CCA) offers an enviromnent that allows scientific packages to dynamically interact with each other through components, which enable dynamic coupling of GAMESS with other chetnistry packages, such as MPQC and NWChem. Conceptually, a cotnputation can be constructed with "plug-and-play" components from scientific packages and require more than componentizing functions/subroutines of interest, especially for large-scale scientific packages with a long development history. In this research, we present our efforts to construct cotnponents for GAMESS that conform to the CCA specification. The goal is to enable the fine-grained interoperability between three quantum chemistry programs, GAMESS, MPQC and NWChem, via components. We focus on one of the three packages, GAMESS; delineate the structure of GAMESS computations, followed by our approaches to its component …

From introduction: "The present paper deals with a classical calculation in which some of the meson effects can be included to all orders in the meson-nucleon coupling coupling constant, in particular those having to do with the gyration of the nucleon spin and isotopic spin. Such a treatment leads to results qualitatively different from the weak coupling calculations."

The magnetotelluric (MT) method of mapping ground electrical conductivity is traditionally based on measurement of the surface impedance at widely spaced stations to infer models of the subsurface through a suitable pseudo 1-D inverse or with linearized least-squares inversion for 2- or 3-D geoelectric media. It is well known that small near-surface inhomogeneities can produce spatial discontinuities in the measured electric fields over a wide frequency range and may consequently bias the impedance on a very local scale. Inadequate station spacing effectively aliases the electric field measurements and results in distortions that cannot be removed in subsequent processing or modelling. In order to fully exploit the benefits of magnetotellurics in complex geological environments, closely spaced measurements must be used routinely. This thesis entertains an analysis of MT data taken along continuous profiles and is a first step that will allow more encompassing 2-D sampling techniques to become viable in the years to come. The developments presented here are to a large extent motivated by the physical insight gained from low-contrast solutions to the forward MT problem. These solutions describe the relationship between a perturbation in the electrical conductivity of the subsurface and the ensuing perturbation of the MT response as …

Submitted to Rensselaer Polytechnic Inst. The computation of reactor characteristics over a fuel cycle in a way suitable to the investigation of the control aspects of the reactor problem is considered. The dynamic problem including as independent variables the neutron energy, the spaces and time was studied. An additional condttion of versatility in the method used to obtain the solutions is necessary to explore the control aspects of the problem. The normal possibilities of the analog computers were surveyed, and a method was found to solve the reactor dynamic problem. The classical approach of considering the neutron energy dependency in groups and the spatial dependency in reactor regions is used. Only cases of regular symmetry are considered, so that the reactor three dimensional configuration is reduced by analytical methods to the study involving one space coordinate. Time is considered as a continuous variable. The Mighty Mouse Deactor is simulated, and the analog results are compared against published data. With the spatial dependency represented by three core and three reflector regions, the fast and slow flux distributions are within 5% of the digital computer solution of the same problem. At the end of the fuel cycles the flux distribution is essentially …

This dissertation contains five papers in the format required for journal publication which describe (in part) my research accomplishments as a graduate student at Iowa State University. This work can be broadly categorized as the binding of weakly-coordinating ligands to cationic organometallic ruthenium fragments, and consists of two main areas of study. Chapters 2-4 are investigations into factors that influence the binding of dibenzothiophenes to {l_brace}Cp'Ru(CO){sub 2}{r_brace}{sup +} fragments, where Cp' = {eta}{sup 5}-C{sub 5}H{sub 5} (Cp) and {eta}{sup 5}-C{sub 5}Me{sub 5} (Cp*). Chapters 5 and 6 present the synthesis and structural characterization of complexes containing corannulene buckybowls that are {eta}{sup 6}-coordinated to {l_brace}Cp*Ru{r_brace}{sup +} fragments. The first chapter contains a brief description of the difficulty in lowering sulfur levels in diesel fuel along with a review of corannulene derivatives and their metal complexes. After the final paper is a short summary of the work herein (Chapter 7). Each chapter is independent, and all equations, schemes, figures, tables, references, and appendices in this dissertation pertain only to the chapter in which they appear.

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Correlation between length scales in the field of magnetism has long been a topic of intensive study. The long-term desire is simple: to determine one theory that completely describes the magnetic behavior of matter from an individual atomic particle all the way up to large masses of material. One key piece to this puzzle is connecting the behavior of a material's domains on the nanometer scale with the magnetic properties of an entire large sample or device on the centimeter scale. In the first case study involving the FeSiAl thin films, contrast and spacing of domain patterns are clearly related to microstructure and stress. Case study 2 most clearly demonstrates localized, incoherent domain wall motion switching with field applied along an easy axis for a square hysteresis loop. In case study 3, axis-specific images of the complex Gd-Si-Ge material clearly show the influence of uniaxial anisotropy. Case study 4, the only study with the sole intent of creating domain structures for imaging, also demonstrated in fairly simple terms the effects of increasing stress on domain patterns. In case study 5, it was proven that the width of magnetoresistance loops could be quantitatively predicted using only MFM. When all of the …