Physics Commons^™

Charge, Bonding, And Magneto-Elastic Coupling In Nanomaterials, Qi Sun

Doctoral Dissertations

Phonons are exquisitely sensitive to finite length scale effects in a wide variety of materials because they are intimately connected to charge, structure, and magnetism, and a quantitative analysis of their behavior can reveal microscopic aspects of chemical bonding and spin-phonon coupling. To investigate these effects, we measured infrared vibrational properties of bulk and nanoscale MoS₂ [molybdenum disulfide], MnO [manganese(II) oxide], and CoFe₂O₄ [cobalt iron oxide]. From an analysis of frequencies, oscillator strengths, and high-frequency dielectric constants, we extracted Born and local effective charges, and polarizability for MoS₂ and MnO. For MoS₂ nanoparticles, in …

Condensed Matter From Gauge/Gravity Duality, Jason Edward Therrien

Doctoral Dissertations

Currently strongly coupled systems present the greatest challenge to theoretical physics. For years conventional methods of approach have failed to describe these systems analytically. In recent years it has been shown that there is a duality between weakly coupled and strongly coupled systems, the Gauge Theory/Gravity Duality. In this dissertation I will discuss how the AdS/CFT is used to describe strongly coupled condensed matter systems as well as present the work done by the author and collaborators.

Measurement Of Theta-13 Neutrino Mixing Angle From The Disappearance Of Electron Antineutrinos At The Double Chooz Experiment, Brandon Reed White

Doctoral Dissertations

The measurement of the remaining neutrino-mixing angle, theta-130, is a critical step toward further understanding of neutrino properties and to guide future neutrino oscillation experiments. Double Chooz has a unique opportunity to perform this measurement building on the original CHOOZ reactor anti-neutrino experiment, the experience that set the previous limits on theta-13. In the first phase of Double Chooz, 101 days of data was analyzed with only the far detector operating of a two-detector plan. In this thesis I will describe the design of the low background neutrino detector and the oscillation analysis performed. From the deficiency between the expected …

Confinement Effects Of Solvation On A Molecule Physisorbed On A Metal Particle, Jacob Fosso Tande

Doctoral Dissertations

We describe and present results of the implementation of the surface and volume polarization for electrostatics~(SVPE) and the iso-density surface solvation models. Unlike most other implementation of the solvation models where the solute and the solvent are described with multiple numerical representation, our implementation uses a multiresolution, adaptive multiwavelet basis to describe both solute and the solvent. This requires reformulation to use integral equations throughout as well as a conscious management of numerical properties of the basis.

Likewise, we investigate the effects of solvation on the static properties of a molecule physisorbed on a spherical particle, modeled as a polarizable …

Growth And Characterization Of Hexagonal Lu-Fe-O Multiferroic Thin Films, Wenbin Wang

Doctoral Dissertations

In the quest for new types of information processing and storage, complex oxides stand out as one of the most promising material classes. The multiple functionalities of complex oxides naturally arise from the delicate energy balance between the various forms of order (structural, electronic, magnetic). In particular, multiferroic and magnetoelectric oxides which simultaneously exhibit more than one type of ferroic orders have many advantages over existing materials. Widespread practical applications will require a single-phase multiferroic material with a transition temperature that lies considerably above room temperature, large electric and magnetic polarizations, and strong coupling between ferroic orders.

Recently, multiferroic LuFe …

Towards A Unification Of Supercomputing, Molecular Dynamics Simulation And Experimental Neutron And X-Ray Scattering Techniques, Benjamin Lindner

Doctoral Dissertations

Molecular dynamics simulation has become an essential tool for scientific discovery and investigation. The ability to evaluate every atomic coordinate for each time instant sets it apart from other methodologies, which can only access experimental observables as an outcome of the atomic coordinates. Here, the utility of molecular dynamics is illustrated by investigating the structure and dynamics of fundamental models of cellulose fibers. For that, a highly parallel code has been developed to compute static and dynamical scattering functions efficiently on modern supercomputing architectures. Using state of the art supercomputing facilities, molecular dynamics code and parallelization strategies, this work also …

Structure And Dynamics Of High Temperature Superconductors, Jennifer Lynn Niedziela

Doctoral Dissertations

High temperature superconductivity in iron based compounds has presented a series of complex problems to condensed matter physics since being discovered in 2008. The stalwart basis of condensed matter physics is the “strength in numbers" aspect of crystalline periodicity. Perfect crystalline periodicity has made possible the reduction of the questions of structural and electronic properties to single dimensions, increasing the tractability of these problems. Nevertheless, modern complex materials stretch these assumptions to their limits, and it is at this point where our work starts. Using neutron and x-ray scattering, we have conducted a series of studies on the structural disorder …

Development Of A Novel Technique For Predicting Tumor Response In Adaptive Radiation Therapy, Rebecca Marie Seibert

Doctoral Dissertations

This dissertation concentrates on the introduction of Predictive Adaptive Radiation Therapy (PART) as a potential method to improve cancer treatment. PART is a novel technique that utilizes volumetric image-guided radiation therapy treatment (IGRT) data to actively predict the tumor response to therapy and estimate clinical outcomes during the course of treatment. To implement PART, a patient database containing IGRT image data for 40 lesions obtained from patients who were imaged and treated with helical tomotherapy was constructed. The data was then modeled using locally weighted regression. This model predicts future tumor volumes and masses and the associated confidence intervals based …

Testing A Novel Technique To Improve Aluminum-26 Accelerator Mass Spectrometry Measurements For Earth Science Applications, Meghan Sarah Janzen

Masters Theses

The measurement of cosmogenic ²⁶Al [aluminum-26] in geological samples by accelerator mass spectrometry (AMS) is typically conducted on Al₂O₃ [aluminum oxide] targets. However, Al₂O₃ is not an ideal source material because it does not form a prolific beam of Al^- [negative atomic aluminum ions] required for measuring low-levels of ²⁶Al. This thesis presents the performance of AlN [aluminum nitride], AlF₃ [aluminum fluoride] and mixed AlN + Al₂O₃ as novel alternative source materials for the analysis of ²⁶Al. A negative ion cesium sputtering source at the Holifield …

Evaluation Of Tagging Techniques Gamma-Decay Probabilities Using The Surrogate Method, Timothy Lee Reed

Masters Theses

A detailed analysis of the statistical and discrete [gamma]-decay tagging techniques was conducted using the absolute surrogate and surrogate ratio method (SRM) to obtain the 92Mo(n,[gamma]) cross section in an equivalent neutron energy range of 80 to 880 keV. Excited 93Mo and 95Mo nuclei were populated using (d,p) reactions on 92Mo and 94Mo targets, respectively. The absolute surrogate 92Mo(n,[gamma]) cross sections disagreed with evaluated neutron capture cross section data by as much as a factor of 4 using the statistical tagging approach, whereas the discrete [gamma]-decay tag absolute surrogate cross section disagreed with the evaluated neutron capture cross section by …

Validation Of Weak Form Thermal Analysis Algorithms Supporting Thermal Signature Generation, Elton Lewis Freeman

Masters Theses

Extremization of a weak form for the continuum energy conservation principle differential equation naturally implements fluid convection and radiation as flux Robin boundary conditions associated with unsteady heat transfer. Combining a spatial semi-discretization via finite element trial space basis functions with time-accurate integration generates a totally node-based algebraic statement for computing. Closure for gray body radiation is a newly derived node-based radiosity formulation generating piecewise discontinuous solutions, while that for natural-forced-mixed convection heat transfer is extracted from the literature. Algorithm performance, mathematically predicted by asymptotic convergence theory, is subsequently validated with data obtained in 24 hour diurnal field experiments for …

Characterization Of Heavy Ion Beams At The Heavy Ion Medical Accelerator In Chiba Using A Li-Drifted 5-Mm Silicon Detector, Alexander Lang

Nuclear Engineering Reports

Measurements were taken at the Heavy Ion Medical Accelerator in Chiba, Japan (HIMAC) to characterize accelerator beams to assist in the study of various tissue equivalent proportional counters (TEPCs) designed by Colorado State University (CSU), Oklahoma State University (OSU), and the National Aeronautics and Space Administration (NASA). There were four beams that were part of the HIMAC experiment:

• 290 MeV/nucleon carbon
• 150 MeV/nucleon helium
• 500 MeV/nucleon argon
• 500 MeV/nucleon iron

For the first time ever, a single, 5-mm lithium drifted silicon detector was used to characterize the beam and measure the spectrum of particles striking the TEPCs. If successful, this …

Magnetic Excitations In The Iron Based Superconductors, Leland Weldon Harriger

Doctoral Dissertations

Presented within are neutron scattering studies detailing the spin dynamics of BaNi$_{x}$Fe$_{2-x}$As$_{2}$ for x = 0 (parent), 0.04 (underdoped), and 0.1 (optimal) dopings, and FeSe$_{x}$Te$_{1-x}$ for x = 0 (parent), 0.3 (underdoped), and 0.4 (optimal) dopings. These recently discovered Fe-based superconducting compounds are strikingly similar, in many respects, to the cuprate class of unconventional superconductors and share qualitatively similar phase diagrams consisting of a long range ordered magnetic ground state in the parents which, upon doping, is supplanted in favor of superconductivity. The dopings discussed herein allow us to tune through the phase diagram, beginning with long range ordered parents …

Study Of Local Structure, Stress And Dynamics In Disordered Materials Using Ab-Initio And Molecular Dynamics Simulation, Madhusudan Ojha

Doctoral Dissertations

Understanding the atomic structure and dynamics in structurally disordered systems has been a long-standing and most challenging problem in physics and material science. To begin with, it is difficult to describe disorder quantitatively and to differentiate the degree of disorder from one system to another. The majorities of experimental and theoretical approaches to the study of disordered systems are either transferred directly from the study of crystals or address the problem in the macroscopic scale where the atomic origin of behavior is obscured. First principle atomic level stresses and dynamic pair distribution functions described in this dissertation represent attempts to …

Secondary Light Particle Data Base Development Using A Thermodynamic Coalescence Model, Mahmoud Pourarsalan

Doctoral Dissertations

ABSTRACT

As heavy ions are transported through shielding and interact with shielding materials accurate values of total, elastic scattering, reactions cross sections and angular distributions of the emitted nucleons, light high energy particles such as deuteron, triton, helion, alpha particles and other heavy ions are required in order to design appropriate and adequate shielding to protect the human crews and instruments from ionizing radiations during long duration space missions. Double-differential (energy and angle) light energetic particle production cross sections must be known for ion energies from tens of MeV/nucleon to tens of GeV/nucleon for all emitted light energetic particles for …

Iron Pnictides: Superconductivity In Multi-Orbital Systems, Andrew David Nicholson

Doctoral Dissertations

This work focuses on the development and implementation of microscopic models as well as their numerical and analytical study to elucidate the properties of the iron pnictides. There are many first principle and phenomenological studies of these materials, but there is a need for unbiased numerical calculations following an approach similar to the one used in the study of the Hubbard and t-J models for the cuprates.

First a two orbital model for the pnictides, focusing on two hybridized Fe-d orbitals (dxz and dyz) is formulated, including hoppings between nearest and next nearest neighbors as well as on site Coulomb …

Microscopic Description Of Nuclear Fission At Finite Temperature, Jordan David Mcdonnell

Doctoral Dissertations

While a predictive, microscopic theory of nuclear fission has been elusive, advances in computational techniques and in our understanding of nuclear structure are allowing us to make significant progress. Through nuclear energy density functional theory, we study the fission of thorium and uranium isotopes in detail. These nuclides have been thought to possess hyperdeformed isomers in the third minima of their potential energy surfaces, but microscopic theories tend to estimate either shallow or non- existent third minima in these nuclei. We seek an explanation in terms of neutron shell effects. We study how the fission pathways, the symmetry, and the …

Morphology-Properties Studies In Laser Synthesized Nanostructured Materials, Nozomi Shirato

Doctoral Dissertations

Synthesis of well-defined nanostructures by pulsed laser melting is an interesting subject from both a funda- mental and technological point of view. In this thesis, the synthesis and functional properties of potentially useful materials were studied, such as tin dioxide nanostructured arrays, which have potential applications in hydrogen gas sensing, and ferromagnetic Co nanowire and nanomagnets, which are fundamentally im- portant towards understanding magnetism in the nanoscale. First, the formation of 1D periodic tin dioxide nanoarrays was investigated with the goal of forming nanowires for hydrogen sensing. Experimental obser- vations combined with theoretical modeling successfully explained the mechanisms of structure …

Higher-Order Corrections In Effective Theory Of Deformed Nuclei, Jialin Zhang

Masters Theses

The low-energy excitation bands of open-shell heavy nuclei have been accounted for by collective motion of the constituting nucleons. Macroscopically, heavy nuclei can be looked upon as deformed rotors undergoing surface vibration and rotation. Traditionally, deformed nuclei are described within the Bohr-Mottelson geometric model or the interacting boson model. An effective theory that exploits spontaneous symmetry breaking has recently been developed for axially deformed nuclei. It describes the rotational and vibrational degrees of freedom in terms of Nambu-Goldstone bosons and quadrupole phonons respectively, with a power counting based on their different energy scales. A systematic way to construct the rotationally …

Numerical Study Of The Transition Metal Oxides And The Transport Properties Of Iron Pnictides, Shuhua Liang

Doctoral Dissertations

Strongly correlated materials such as the manganites and iron pnictides are studied here with several computational techniques. Both types of materials contain transition metals. Thus, our computational models are based on the double exchange mechanism, the super exchange mechanism and the crystal field theory to describe the d electrons. In manganites, we focus on its multiferroic properties induced by the Dzyaloshinskii-Moriya interaction. In the BiFeO3 , we use classical Monte Carlo simulations to study the magnetic critical transition transition. In iron pnictides, we study the interplay between the Fermi surface orbital order and the ground state magnetic order.

Theoretical Modeling Of The Formation And Functionality Of Low-Dimensional Materials, Hua Chen

Doctoral Dissertations

This dissertation presents a series of work under the topic of designing and modeling novel low-dimensional materials and structures with desired and coherent structural, electronic, and magnetic properties, using a variety of theoretical tools, including first-principles density functional theory (DFT) method, numerical Monte Carlo (MC) method, and analytical phenomenological approaches, etc. The contents are divided into three major topics:

(1) Magnetic properties of n-p codoped materials. The noncompensated n-p codoping method is proposed to increase the density of magnetic dopants in diluted magnetic semiconductors (DMS) while keeping the magnetic coupling strength, which may lead to a …

Laser-Atom Interactions: A Multiresolution Approach, Nicholas Eric Vence

Doctoral Dissertations

Isolated, attosecond laser pulses have allowed real-time measurement and control of electrons on atomic time scales. We present an explicit time-evolution scheme solving the time dependent Schro ̈dinger equation, which employs an adaptive, discontinuous, spectral-element basis that automatically refines to accommodate the requested precision providing efficient computation across many length scales in multiple dimensions. This method is illustrated through time evolution studies of single electron atoms and molecular ions in three and four dimensions under the influence of intense, few-cycle laser pulses.

Atomistic Simulations Of The Fusion-Plasma Material Interface, Mostafa Jon Dadras

Doctoral Dissertations

A key issue for the successful performance of current and future fusion reactors is understanding chemical and physical processes at the Plasma Material Interface (PMI). The material surfaces may be bombarded by plasma particles in a range of impact energies (1 eV - a few keV) and kept at a range of temperatures (300 - 1000 K). The dominant processes at the PMI are reflection and retention of impacting particles and sputtering (chemical and physical). Sputtering leads to surface erosion and pollution of the plasma, both of which degrade reactor performance. Retention influences the recycling of the plasma, and in …

Experimental Studies Of Nuclei Near Doubly Magic 100sn And 78ni, Lucia Cartegni

Doctoral Dissertations

The experimental study of exotic nuclei is very important for our understanding of nuclear structure. In this work the nuclei near doubly magic nuclei 100Sn and 78Ni were studied in two separate experiments. The first one was performed at the Holifield Radioactive Ion Beam Facility (HRIBF) at Oak Ridge National Laboratory. This experiment searched for the alpha decay of 112Cs, in order to establish the proton separation energy of 104Sb. Although the alpha decay of 112Cs was not observed, the upper limit of the alpha branching ratio was set at 0.26%. The improved statistics enabled an improved half-lives measurement of …

Derivation Of Correction Terms To The Eikonal Approximations In The Formulation Of Analytical Abrasion-Ablation Model, Santosh Bhatt

Doctoral Dissertations

Analytical models for the quantitative predictions of spectra from the neutrons and light ions produced from the high energy, heavy ion (HZE) reactions are extremely important in assessment of the radiation damage during long duration deep space missions, and for various accelerator applications. The fundamental physics of the secondary particle production and transport from these HZE reactions is described using the abrasion-ablation model. The abrasion part of the model is based on the Glauber multiple scattering theory while the ablation process is based on statistical decay based on an evaporation model. The current formulations for the abrasion process are based …

Measurement Of Production And Decay Properties Of Bs Mesons Decaying Into J/Psi Phi With The Cms Detector At The Lhc, Giordano Cerizza

Doctoral Dissertations

The production of hadrons containing b-quarks has been measured in proton anti-proton collisions up to center-of-massenergies of 1.96 TeV at the Tevatron. Information at lower energy is provided by electron-positron collision experiments.The underlying theory of hadronic interactions is tuned to those data but cannot reliably predict reaction rates from first principlesfor higher energies. Therefore, it is important to test the extrapolations and optimize model parameters for the new energy regime at the LHC. The b-hadrons from proton-proton collisions are a major source of background in searches for the Higgs boson andother heavy not-yet-discovered particles. Hence, it is important to quantify …

Pp And Cno-Cycle Nucleosynthesis: Kinetics And Numerical Modeling Of Competitive Fusion Processes, Matt Torrico

Chancellor’s Honors Program Projects

No abstract provided.

Theoretical Study On Spontaneous Symmetry Breaking In Strongly Correlated Electrons, Xiaotian Zhang

Doctoral Dissertations

In the early days of condensed matter physics, the single electron approximation was considered to be a very good approach in order to explore the properties of many systems. However, as time goes on, a variety of new systems have been discovered and many of them, such as high temperature superconductors and manganites, show phenomenas that evidently can not be explained by single electron theories. Spontaneous symmetry breaking is a very important and famous concept in physics, from the Higgs mechanism in particle physics to the spin density wave in condensed matter physics. The present text describes the detailed studies …

Soft X-Ray Spectroscopic Investigation Of Oxides For Renewable Energy Applications, Eric Westbrook Martin

Chancellor’s Honors Program Projects

No abstract provided.

Superconducting Nafe1-Xcoxas: Crystal Growth, Resistivity, And Susceptibility Measurements, Tucker Netherton

Chancellor’s Honors Program Projects

No abstract provided.