The existence of singly, doubly, and triply charged diatomic molecular ions was observed by using an Accelerator Mass Spectrometry (AMS) technique. The mean lifetimes of 3 MeV boron diatomic molecular ions were measured. No isotopic effects on the mean lifetimes of boron diatomic molecules were observed for charge state 3+. Also, the mean lifetime of SiF^3+ was measured.

The use of nuclear microprobe techniques including: Particle induced x-ray emission (PIXE) and Rutherford backscattering spectrometry (RBS) for elemental analysis and quantitative elemental imaging of biological samples is especially useful in biological and biomedical research because of its high sensitivity for physiologically important trace elements or toxic heavy metals. The nuclear microprobe of the Ion Beam Modification and Analysis Laboratory (IBMAL) has been used to study the enhancement in metal uptake of two different plants. The roots of corn (Zea mays) have been analyzed to study the enhancement of iron uptake by adding Fe (II) or Fe (III) of different concentrations to the germinating medium of the seeds. The Fe uptake enhancement effect produced by lacing the germinating medium with carbon nanotubes has also been investigated. The aim of this investigation is to ensure not only high crop yield but also Fe-rich food products especially from calcareous soil which covers 30% of world’s agricultural land. The result will help reduce iron deficiency anemia, which has been identified as the leading nutritional disorder especially in developing countries by the World Health Organization. For the second plant, Mexican marigold (Tagetes erecta), the effect of an arbuscular mycorrhizal fungi (Glomus intraradices) for the …

This research studied the Anderson localization of electrons in two-channel wires with correlated disorder and in DNA molecules. It involved an analytical calculation part where the formula for the inverse localization length for electron states in a two-channel wire is derived. It also involved a computational part where the localization length is calculated for some DNA molecules. Electron localization in two-channel wires with correlated disorder was studied using a single-electron tight-binding model. Calculations were within second-order Born-approximation to second-order in disorder parameters. An analytical expression for localization length as a functional of correlations in potentials was found. Anderson localization in DNA molecules were studied in single-channel wire and two-channel models for electron transport in DNA. In both of the models, some DNA sequences exhibited delocalized electron states in their energy spectrum. Studies with two-channel wire model for DNA yielded important link between electron localization properties and genetic information.

The present work reports the experimental evidence of anomalous energy loss, energy straggling, and the corresponding ion-induced electron emission yields of channeled protons in silicon.

The rotational microwave spectra of the three isotopes (^13CH_3^12C^15N, ^12CH_3^13C^15N, and ^13CH_3^13C^15N) of the methyl cyanide molecule in the v_8=3, v_8=2, v_7=1 and v_4=1 vibrational energy levels for the rotational components 1£J£5 (for a range of frequency 17-95 GHz.) were experimentally and theoretically examined. Rotational components in each vibration were measured to determine the mutual interactions in each vibration between any of the vibrational levels investigated. The method of isotopic substitution was employed for internal tuning of each vibrational level by single and double substitution of ^13C in the two sites of the molecule. It was found that relative frequencies within each vibration with respect to another vibration were shifted in a systematic way. The results given in this work were interpreted on the basis of these energy shifts. Large departure between experimentally measured and theoretically predicted frequency for the quantum sets (J, K=±l, ϑ=±1), Kϑ-l in the v_8=3 vibrational states for the ^13c and ^15N tagged isotopes of CH_3CN showed anomalous behavior which was explained as being due to Fermi resonance. Accidently strong resonances (ASR) were introduced to account for some departures which were not explained by Fermi resonance.

Complexity can emerge from extremely simple rules. A paradigmatic example of this is the model of ballistic deposition (BD), a simple model of sedimentary rock growth. In two separate Problem-in-Lieu-of Thesis studies, BD was investigated numerically in (1+1)-D on a lattice. Both studies are combined in this document. For problem I, the global interface roughening (IR) process was studied in terms of effective scaling exponents for a generalized BD model. The model used incorporates a tunable parameter B to change the cooperation between aggregating particles. Scaling was found to depart increasingly from the predictions of Kardar-Parisi-Zhang theory both with decreasing system sizes and with increasing cooperation. For problem II, the local single column evolution during BD rock growth was studied via statistical analysis of time series. Connections were found between single column time series properties and the global IR process.

Broad band light emission ranging from the ultraviolet (UV) to the near infrared (NIR) has been observed from silicon nanoparticles fabricated using low energy (30-45 keV) metal and non-metal ion implantation with a fluence of 5*1015 ions/cm2 in crystalline Si(100). It is found from a systematic study of the annealing carried out at certain temperatures that the spectral characteristics remains unchanged except for the enhancement of light emission intensity due to annealing. The annealing results in nucleation of metal nanoclusters in the vicinity of Si nanoparticles which enhances the emission intensity. Structural and optical characterization demonstrate that the emission originates from both highly localized defect bound excitons at the Si/Sio2 interface, as well as surface and interface traps associated with the increased surface area of the Si nanocrystals. The emission in the UV is due to interband transitions from localized excitonic states at the interface of Si/SiO2 or from the surface of Si nanocrystals. The radiative efficiency of the UV emission from the Si nanoparticles can be modified by the localized surface plasmon (LSP) interaction induced by the nucleation of silver nanoparticles with controlled annealing of the samples. The UV emission from Si nanoclusters are coupled resonantly to the LSP …

This problem in lieu of thesis is a discussion of two topics: Brownian movement and quantum computers. Brownian movement is a physical phenomenon in which the particle velocity is constantly undergoing random fluctuations. Chapters 2, 3 and 4, describe Brownian motion from three different perspectives. The next four chapters are devoted to the subject of quantum computers, which are the signal of a new era of technology and science combined together. In the first chapter I present to a reader the two topics of my problem in lieu of thesis. In the second chapter I explain the idea of Brownian motion, its interpretation as a stochastic process and I find its distribution function. The next chapter illustrates the probabilistic picture of Brownian motion, where the statistical averages over trajectories are related to the probability distribution function. Chapter 4 shows how to derive the Langevin equation, introduced in chapter 1, using a Hamiltonian picture of a bath with infinite number of harmonic oscillators. The chapter 5 explains how the idea of quantum computers was developed and how step-by-step all the puzzles for the field of quantum computers were created. The next chapter, chapter 6, discus the basic quantum unit of information …

The intent of this investigation was to directly measure the amount of carbon contamination in a single silicon crystal and, in so doing, develop a mathematical procedure that would be applicable to other contaminants in other substances.

The characterization, properties and applications of the novel nanostructured microgel (nanoparticle network and microgel crystal) composed of poly-N-isopropylacrylanmide-co-allylamine (PNIPAM-co-allylamine) and PNIPAM-co-acrylic acid(AA) have been investigated. For the novel nanostructured hydrogels with the two levels of structure: the primary network inside each individual particle and the secondary network of the crosslinked nanoparticles, the new shear modulus, drug release law from hydrogel with heterogeneous structure have been studied. The successful method for calculating the volume fraction related the phase transition of colloid have been obtained. The kinetics of crystallization in an aqueous dispersion of PNIPAM particles has been explored using UV-visible transmission spectroscopy. This dissertation also includes the initial research on the melting behavior of colloidal crystals composed of PNIPAM microgels. Many new findings in this study area have never been reported before. The theoretical model for the columnar crystal growth from the top to bottom of PNIPAM microgel has been built, which explains the growth mechanism of the novel columnar hydrogel colloidal crystals. Since the unique structure of the novel nanostructured hydrogels, their properties are different with the conventional hydrogels and the hard-sphere-like system. The studies and results in this dissertation have the important significant for theoretical study and valuable application …

The present work provides charge state fractions that may be used to generate TEAMS relative sensitivity factors for impurities in semiconductor materials.

The Feynman path integral formulation of quantum mechanics is a path integral representation for a propagator or probability amplitude in going between two points in space-time. The wave function is expressed in terms of an integral equation from which the Schrodinger equation can be derived. On taking the limit h — 0, the method of stationary phase can be applied and Newton's second law of motion is obtained. Also, the condition the phase vanishes leads to the Hamilton - Jacobi equation. The secondary objective of this paper is to study ways of relating quantum mechanics and classical mechanics. The Ehrenfest theorem is applied to a particle in an electromagnetic field. Expressions are found which are the hermitian Lorentz force operator, the hermitian torque operator, and the hermitian power operator.

A source-modulation microwave spectrograph was utilized to measure line width parameters for several spectral lines in the pure rotational spectrum of formaldehyde (H₂CO). The spectrograph featured high-gain ac amplification and phase-sensitive detection, and was capable of measuring microwave lines having absorption coefficients as small as 10⁻⁷ cm⁻¹ with a frequency resolution on the order of 30 kHz. Center frequencies of the measured lines varied from 4,830 MHz to 72,838 MHz; hence, most of the observations were made on transitions between K-doublets in the rotational spectrum. Corrections were applied to the measured line width parameters to account for Doppler broadening and, where possible, for deviations due to magnetic hyperfine structure in some of the K-doubled lines. Low modulation voltages and low microwave power levels were used to minimize modulation and saturation broadenings; other extraneous broadenings were found to be insignificant. The primary broadening mechanism at low gas pressure is pressure broadening, and a review of this topic is included. Line width parameters for the several observed transitions were determined by graphing half-widths versus pressure for each spectral line, and performing a linear least-squares fit to the data points. Repeatability measurements indicated the accuracy of the line width parameters to be better …

The energy states of C₃ᵥ symmetric top polyatomic molecules were studied. Both classical and quantum mechanical methods have been used to introduce the energy states of polyatomic molecules. Also, it is shown that the vibration-rotation spectra of polyatomic molecules in the ground and excited vibrational states can be predicted by group theory. A comprehensive model for predicting rotational frequency components in various v₁₀ vibrational levels of propyne was developed by using perturbation theory and those results were compared with other formulas for C₃ᵥ symmetric top molecules. The v₁₀=1,2,3 and ground rotational spectra of propyne in the frequency range 17-70 GHz have been reassigned by using the derived comprehensive model. The v₁₀=3 and v₁₀=4 rotational spectra of propyne have been investigated in the 70 GHz, and 17 to 52 GHz regions, respectively, and these spectral components assigned using the comprehensive model. Molecular constants for these vibrationally excited states have been determined from more than 100 observed rotational transitions. From these experimentally observed components and a model based upon first principles for C₃ᵥ symmetry molecules, rotational constants have been expressed in a form which enables one to predict rotational components for vibrational levels for propyne up to v₁₀=5. This comprehensive model also …

Computational techniques were employed to investigate pathways that would improve the properties and characteristics of transition metal (i.e., ruthenium) catalysts, and to explore their mechanisms. The studied catalytic pathways are particularly relevant to catalytic hydroarylation of olefins. These processes involved the +2 to +3 oxidation of ruthenium and its effect on ruthenium-carbon bond strengths, carbon-hydrogen bond activation by 1,2-addition/reductive elimination pathways appropriate to catalytic hydrogen/deuterium exchange, and the possible intermediacy of highly coordinatively unsaturated (e.g., 14-electron) ruthenium complexes in catalysis. The calculations indicate a significant decrease in the Ru-CH3 homolytic bond dissociation enthalpy for the oxidation of TpRu(CO)(NCMe)(Me) to its RuIII cation through both reactant destabilization and product stabilization. This oxidation can thus lead to the olefin polymerization observed by Gunnoe and coworkers, since weak RuIII-C bonds would afford quick access to alkyl radical species. Calculations support the experimental proposal of a mechanism for catalytic hydrogen/deuterium exchange by a RuII-OH catalyst. Furthermore, calculational investigations reveal a probable pathway for the activation of C-H bonds that involves phosphine loss, 1,2-addition to the Ru-OH bond and then reversal of these steps with deuterium to incorporate it into the substrate. The presented results offer the indication for the net addition of aromatic C-H …

Increasing ubiquity of computational resources has enabled simulation of complex electronic systems and modern materials. The PAOFLOW software package is a tool designed to construct and analyze tight binding Hamiltonians from the solutions of DFT calculations. PAOFLOW leverages localized basis sets to greatly reduce computational costs of post-processing QE simulation results, enabling efficient determination of properties such as electronic density, band structures in the presence of electric or magnetic fields, magnetic or spin circular dichroism, spin-texture, Fermi surfaces, spin or anomalous Hall conductivity (SHC or AHC), electronic transport, and more. PAOFLOW's broad functionality is detailed in this work, and several independent studies where PAOFLOW's capabilities directly enabled research on promising candidates for ferroelectric and spintronic based technologies are described. Today, Quantum computers are at the forefront of computational information science. Materials scientists and quantum chemists can use quantum computers to simulate interacting systems of fermions, without having to perform the iterative methods of classical computing. This dissertation also describes a study where the band structure for silicon is simulated for the first time on quantum hardware and broadens this concept for simulating band structures of generic crystalline structures on quantum machines.

The objective of this study is to examine core-shell type plasmonic metamaterials aimed at the development of materials with unique electromagnetic properties. The building blocks of metamaterials under study consist of gold as a metal component, and silica and precipitated calcium carbonate (PCC) as the dielectric media. The results of this study demonstrate important applications of the core-shells including scattering suppression, airborne obscurants made of fractal gold shells, photomodification of the fractal structure providing windows of transparency, and plasmonics core-shell with a gain shell as an active device. Plasmonic resonances of the metallic shells depend on their nanostructure and geometry of the core, which can be optimized for the broadband extinction. Significant extinction from the visible to mid-infrared makes fractal shells very attractive as bandpass filters and aerosolized obscurants. In contrast to the planar fractal films, where the absorption and reflection equally contribute to the extinction, the shells' extinction is caused mainly by the absorption. This work shows that the Mie scattering resonance of a silica core with 780 nm diameter at 560 nm is suppressed by 75% and only partially substituted by the absorption in the shell so that the total transmission is noticeably increased. Effective medium theory supports …

The present investigation was prompted by several considerations. In previous studies there was considerable variance with regard to the reported values for the half-lives of the isomeric and ground states in 164 Ho. There was also considerable variance with regard to the values reported for the branching ratios and the relative intensities of the transitions. Thus a further study of the problem was needed.

Silicon telluride (Si2Te3) and many other tellurium containing compounds show emergent Raman peaks located at ~120 cm-1 and ~140 cm-1 as they age. The origin of these two emergent peaks is controversial in the literature and has been attributed to myriad causes such as the intrinsic Raman modes of the telluride materials, surface oxidation, defects, double resonances, and tellurium precipitates. The controversial nature of these peaks has led to the misidentification of highly degraded materials as pristine and to the misinterpretation of changes in Raman spectra. For the first time, quality thin film and bulk crystals of Si2Te3 are grown using a chemical vapor deposition (CVD) process. We then present a comprehensive and multimodal study of various Si2Te3 samples and find that the two emergent Raman peaks originate from tellurium nano-crystallites formed in the degraded surface layers of Si2Te3. The formation of the tellurium nano-crystallites are shown to be a result of a hydrolysis process in which Si2Te3 reacts with atmospheric water vapor. The challenges involved in the fabrication of Si2Te3 based devices are also discussed and ways in which degradation can be either prevented or reversed are demonstrated. Finally, we present preliminary data which shows promising low voltage switching …

A nuclear microprobe, typically consisting of 2 - 4 quadrupole magnetic lenses and apertures serving as objective and a collimating divergence slits, focuses MeV ions to approximately 1 x 1 μm for modification and analysis of materials. Although far less utilized, electrostatic quadrupole fields similarly afford strong focusing of ions and have the added benefit of doing so independent of ion mass. Instead, electrostatic quadrupole focusing exhibits energy dependence on focusing ions. A heavy ion microprobe could extend the spatial resolution of conventional microprobe techniques to masses untenable by quadrupole magnetic fields. An electrostatic quadrupole doublet focusing system has been designed and constructed using several non-conventional methods and materials for a wide range of microprobe applications. The system was modeled using the software package "Propagate Rays and Aberrations by Matrices" which quantifies system specific parameters such as demagnification and intrinsic aberrations. Direct experimental verification was obtained for several of the parameters associated with the system. Details of the project and with specific applications of the system are presented.

An optical detection technique is developed to detect and measure the resonant vibration of the cellular membrane. Biological membranes are active components of living cells and play a complex and dynamic role in life processes. They are believed to have oscillation modes of frequencies in the range of 1 to 1000 GHz. To measure such a high-frequency vibration, a linear laser cavity is designed to produce a train of femtosecond pulses of adjustable repetition rate. The method is then directly applied to liposomes, "artificial membrane", stained with a liphophilic potential sensitive dye. The spectral behavior of a selection of potential sensitive dyes in the membrane is also studied.

The purpose of this study is two-fold. The first is to determine the dependence of the molecular ion profiles on the various ionospheric and atmospheric parameters that affect their distributions. The second is to demonstrate the correlation of specific ionospheric parameters with 6300 Å nightglow intensity during periods of magnetically quiet and disturbed conditions.

The electrical and optical properties of boron doped hydrogenated amorphous silicon thin films (a-Si) were investigated to determine the effect of boron and hydrogen incorporation on carrier transport. The a-Si thin films were grown by plasma enhanced chemical vapor deposition (PECVD) at various boron concentrations, hydrogen dilutions, and at differing growth temperatures. The temperature dependent conductivity generally follows the hopping conduction model. Above a critical temperature, the dominant conduction mechanism is Mott variable range hopping conductivity (M-VRH), where p = ¼, and the carrier hopping depends on energy. However, at lower temperatures, the coulomb interaction between charge carriers becomes important and Efros-Shklosvkii variable hopping (ES-VRH) conduction, where p=1/2, must be included to describe the total conductivity. To correlate changes in electrical conductivity to changes in the local crystalline order, the transverse optical (TO) and transverse acoustic (TA) modes of the Raman spectra were studied to relate changes in short- and mid-range order to the effects of growth temperature, boron, and hydrogen incorporation. With an increase of hydrogen and/or growth temperature, both short and mid-range order improve, whereas the addition of boron results in the degradation of short range order. It is seen that there is a direct correlation between the …

Understanding the fundamental physics in light absorption and perfect light absorption is vital for device applications in detector, sensor, solar energy harvesting and imaging. In this research study, a large area fabrication of Al-doped ZnO/Al2O3/graphene/Al2O3/gold/silicon device was enabled by a spin-processable hydrophilic mono-layer graphene oxide. In contrast to the optical properties of noble metals, which cannot be tuned or changed, the permittivity of transparent metal oxides, such as Al-doped ZnO and indium tin oxide, are tunable. Their optical properties can be adjusted via doping or tuned electrically through carrier accumulation and depletion, providing great advantages for designing tunable photonic devices or realizing perfect absorption. A significant shift of Raman frequency up to 360 cm-1 was observed from graphene in the fabricated device reported in this work. The absorption from the device was tunable with a negative voltage applied on the Al-doped ZnO side. The generated absorption change was sustainable when the voltage was off and erasable when a positive voltage was applied. The reflection change was explained by the Fermi level change in graphene. The sustainability of tuned optical property in graphene can lead to a design of device with less power consumption.