<p>Two separate experimental searches for second-order weak nuclear decays to excited final states were conducted. Both experiments were carried out at the Kimballton Underground Research Facility to provide shielding from cosmic rays. The first search is for the two-neutrino double-beta decay of 96Zr to excited final states of the daughter nucleus, 96Mo. As a by product of this experiment, the beta decay of 96Zr was also investigated. Two coaxial high-purity germanium detectors were used in coincidence to detect gamma rays produced by the daughter nucleus as it de-excited to the ground state. After collecting 1.92 years of data with 17.91 g of enriched 96Zr, half-life limits at the level of 10^20 yr were produced. Measurements of this decay are important to test neutrinoless double-beta decay nuclear matrix element calculations, which are necessary to extract the neutrino mass from a measurement of the neutrinoless double-beta decay half-life. </p><p>The second experiment is a search for the resonantly-enhanced neutrinoless double-electron capture decay of 156Dy to excited states in 156Gd. Double-electron capture is a possible experimental alternative to neutrinoless-double beta decay, which could distinguish the Dirac or Majorana nature of the neutrino. Two clover high-purity germanium detectors were used in coincidence to investigate the decay. A 213.5 mg enriched 156Dy sample was observed for 0.635 year, producing half-life limits of 10^17 yr. The limits produced by both of these experiments are currently the most stringent limits available for these decays.</p> / Dissertation

Nuclei at closed shells tend to be spherical and are well-described by the shell model, while those between closed shells are deformed and better described by collective models. The nuclei which are in transitional regions between spherical and deformed may be studied to gain insight into the nature of this transition. The stable isotopes of zirconium and xenon span such transitional regions and are the subject of this dissertation. Gamma-ray spectroscopy following inelastic neutron scattering has been performed on the stable isotopes of Zr as well as 132,134Xe at the University of Kentucky Accelerator Laboratory. Level lifetimes have been measured using the Doppler-shift attenuation method, which allow the determination of transition probabilities that are of utmost importance in elucidating the structure of these nuclei. The lifetime measurements were the focus of the study of the Zr isotopes. Previously measured level lifetimes in 94Zr by our group were called into question by recent electron scattering experiments. This motivated a re-measurement of these lifetimes and led to a study of the role of the chemical properties of the scattering samples employed in the measurements. Various Zr-containing compounds were characterized with powder X-ray diffraction and scanning electron microscopy and were employed as scattering samples. These studies revealed the impact of using amorphous materials and those composed of small particles as scattering samples on the resulting lifetimes, and has important implications for future lifetime measurements employing the Doppler-shift attenuation method. For the xenon experiments, highly enriched (>99.9%) 132Xe and 134Xe gases were converted to solid 132XeF2 and 134XeF2, and were used as scattering samples. The xenon isotopes have not been particularly well-studied as elemental targets are gases under ambient conditions, which introduces difficulties into the measurements. Much new information was obtained for these nuclei, including the placement of many new transitions and levels, and measurement of many new level lifetimes, allowing the determination of reduced transition probabilities. This additional information provided important insight into the structure of these two transitional nuclei.

Multiconfigurational quantum chemistry methods, and especially the multiconfigurational self-consistent field (MCSCF) and multireference perturbation theory (MRPT2), are powerful tools, particularly suited to the accurate modeling of photochemical processes and transition metal catalysis. However, they are limited by their high computational cost compared to other methods, especially density functional theory. Moreover, there are areas where they would be expected to perform well, but where they are not applied due to lack of experience. This thesis addresses those issues. First, the efficiency of the Cholesky decomposition approximation to reduce the cost of MCSCF and MRPT2 without sacrificing their accuracy is demonstrated. This then motivates the extension of the Cholesky approximation to the computation of MCSCF nuclear gradients, thus strongly improving the ability to perform MCSCF non-adiabatic molecular dynamics. Typically, a tenfold speed-up is observed allowing dynamic simulation of larger systems or over longer times. Finally, multiconfigurational methods are applied to the computation of X-ray spectra of transition metal complexes. The importance of the different parameters in the calculation is systematically investigated, laying the base for wider applications of those accurate methods in the modeling of X-ray spectroscopy. A tool to analyze the resulting spectrum in terms of molecular orbitals is also presented, strengthening the interplay between theory and experiments. With these developments and other significant ones that have happened in recent years, multiconfigurational methods can now reach new grounds and contribute to important new discoveries

No description available.

Typescript. / Thesis (Ph. D.)--University of Hawaii at Manoa, 1973. / Bibliography: leaves [293]-300. / xvi, 300 l illus., tables

The present thesis is devoted to theoretical studies of pulse propagation of light through linear and nonlinear media, and of light-induced nuclear dynamics. The first part of the thesis addresses propagation of light pulses in linear periodical media - photonic crystals. The main accent was put on studies of the angular properties of two qualitatively different types of photonic crystals: holographic photonic crystals, and impurity band based photonic crystals. The anisotropy of band structure, group velocity and pulse delay with respect to the light polarization are analyzed. In the second part of the thesis a strict theory of nonlinear propagation of a few strong interacting light beams is presented. The key idea of this approach is a self-consistent solution of the nonlinear wave equation and the density matrix equations of the material. This technique is applied to studies of dynamics of cavityless lasing generated by ultra-fast multi-photon excitation. It is shown that interaction of co- and counter-propagating pulses of amplified spontaneous emission (ASE) affects the dynamics and efficiency of nonlinear conversion. Our dynamical theory allows to explain the asymmetric spectral properties of the forward and backward ASE pulses, which were observed in recent experiment with different dye molecules. It is shown that the ASE spectral profile changes drastically when the pump intensity approaches the threshold level. The effect of the temporal self-pulsation of ASE is studied in detail. The third part of the thesis is devoted to light-induced nuclear dynamics. Time- and frequency-resolved X-ray spectroscopy of molecules driven by strong and coherent infrared (IR) pulses shows that the phase of the IR field strongly influences the trajectory of the nuclear wave packet, and hence, the X-ray spectrum. Such a dependence arises due to the interference of one (X-ray) and two-photon (X-ray + IR) excitation channels. The phase of the light influences the dynamics also when the Rabi frequency approaches the vibrational frequency, breaking down the rotating-wave approximation. The probe X-ray spectra are also sensitive to the delay time, the duration, and the shape of the pulses. The evolution of the nuclear wave packets in the dissociative core-excited state affects the dynamics of resonant Auger scattering from fixed-in-space molecules. One of the important dynamical effects is the atomic-like resonance which experiences electronic Doppler shift. We predict that the scattering of the Auger electrons by nearby atoms leads to new Doppler shifted resonances. These extra resonances show sharp maxima in the bond directions, which makes them very promising as probes for local molecular structure using energy and angular resolved electron-ion coincidence techniques. Our theory provides prediction of several new effects, but also results that are in good agreement with the available experimental data. / QC 20100906

The seabed is envisaged to meet the increased future demands for minerals from the rapidly growing industrialized societies of the world. Shipboard analysis of cores can significantly reduce the cost and time spent at the exploratory drilling stage by obviating the need to go back to land for analysis. It can further speed the exploration process by enabling a quick modification of the exploration plan based on the results of the shipboard analysis. A ²⁵²Cf-based analyzer utilizing the prompt gamma neutron activation analysis technique has been designed. The analyzer is a spherical iron shell with the source at its center. The seabed core is passed through a hollow composite tube which is positioned a short distance directly below the source and the resulting prompt gamma rays are collimated to a HPGe detector. The rest of the sphere is filled with paraffin. The gamma ray flux at the detector is converted into a count rate by using a semi-empirical detector response function. This count rate data are then used to determine the sensitivity and detection limits for the chosen elements (Mg, Al, Ti, Cr, Mn, Fe, Ni and Cu). Monte Carlo simulations using the Monte Carlo neutron photon coupled transport code, MCNP, were carried out for a parametric study of important variables influencing the design of the analyzer. These parameters included the moderator type, source to sample distance and sample porosity. MCNP was then used to model the analyzer and to generate the neutron flux profiles in the sample and the prompt gamma flux at the detector. Due to the non-availability of the prompt gamma data for most of the elements of economic interest in the ENDF/B-V cross section libraries associated with MCNP, the point kernel photon transport code ISOSHLD-II (modified for high energy gamma rays) was used to generate the gamma flux at the detector for specific elements. The ISOSHLD-II source term was calculated based on known gamma production data (thermal capture only) and the thermal neutron flux in the sample obtained from MCNP computations. The sensitivity and detection limits obtained from the isotopic source based analyzer were compared for the case of aluminum with values reported from reactor facilities. The results obtained indicate that the analyzer designed in this work could prove suitable for the on-line analysis of many elements of economic interest in seabed cores at the 1 weight percent level. / Graduation date: 1992

Thesis (M.S.)--University of Alabama at Birmingham, 2007. / Additional advisors: Peter G. Anderson, Brigitta C. Brott, Jack E. Lemons. Description based on contents viewed Feb. 4, 2008; title from title screen. Includes bibliographical references (p. 69-70).

Thesis (Ph.D.) -- McMaster University, 1999. / Includes bibliographical references (leaves 212-219). Also available via World Wide Web.

Diss. (sammanfattning). Umeå : Sveriges lantbruksuniv. / Härtill 4 uppsatser.