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 …

Ads/Cft In String Theory And M-Theory, Daniel R. Gulotta '03

Doctoral Dissertations

The AdS/CFT correspondence is a powerful tool that can help shed light on the relationship between geometry and field theory.

The first part of this thesis will focus on the construction of theories dual to Type IIB string theory on AdS₅ x Y⁵, where Y⁵ is a toric Sasaki-Einstein manifold. This thesis will introduce a consistency condition called "proper ordering" and demonstrate that it is equivalent to several other previously known consistency conditions. It will then give an efficient algorithm that produces a consistent field theory for any toric Sasaki-Einstein Y⁵.

The second part …

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 …

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.

Study Of Jet Transverse Momentum And Jet Rapidity Dependence Of Dijet Azimuthal Decorrelations With The Dø Detector, Kiran Chakravarthula

Doctoral Dissertations

In a collision experiment involving highly energetic particles such as hadrons, processes at high momentum transfers can provide information useful for many studies involving Quantum Chromodynamics (QCD). One way of analyzing these interactions is through angular distributions. In hadron-hadron collisions, the angular distribution between the two leading jets with the largest transverse momentum (pT) is affected by the production of additional jets. While soft radiation causes small differences in the azimuthal angular distribution of the two leading jets produced in a collision event, additional hard jets produced in the event have more pronounced influence on the distribution of …

The Study Of Pt Dependence Of Dijet Azimuthal Decorrelations In Proton-Proton Collision At Center Of Mass Energy = 7 Tev, Ramasudhakar Dhullipudi

Doctoral Dissertations

The transverse momentum (pT) dependence of azimuthal decorrelations in dijet events is studied with data collected, at an integrated luminosity of [special characters omitted] dt = (36 ± 4) pb−1, from collisions between protons at a center of mass energy of [special characters omitted] = 7 TeV using the ATLAS detector at the Large Hadron Collider. The results of the analysis of jets in a central rapidity of |y| < 0.8 and pT in the range 60 GeV < pT < 1200 GeV are presented. A new observable RΔ&phis;, defined as the fraction of the total dijet cross section corresponding to a particular range of …

Event Shapes In Proton-Proton Collisions At Center Of Mass Energy = 1.96 Tev, Scott Atkins

Doctoral Dissertations

This dissertation presents the analysis of nine different event shapes measured in high energy pp¯ collisions. An event shape can be defined as an event-based quantity that measures how the final energies are distributed in the final event. This analysis will test strong interactions as described by Quantum Chromodynamics (QCD), through their implementation in different Monte Carlo-based models. Each of the event shapes provides information about the flow of energy in QCD events and about the hadronic final states that occur in pp¯ particle collisions, thus allowing the study of the dynamics of QCD multijet events. Any deviation of an …

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 …

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 …

A Monte Carlo Study Of The Scaling Of Nucleation Rates In A Lennard-Jones System, Mark Allan Thomason

Doctoral Dissertations

Temperature scaling of the homogenous vapor-to-liquid nucleation rate, J, is examined in a model Lennard-Jones (LJ) system. The model uses the Bennett Metropolis Monte Carlo technique to determine small cluster growth/decay rate constant ratios ß_n-1|α_n at four temperatures (T = 40, 50, 60, and 83.6K) below the argon Lennard-Jones critical temperature, T_c. The ß_n-1|α_n for clusters ranging in size from n = 2 to n = 192 LJ particles are applied to a kinetic steady-state nucleation rate formalism and nucleation rates are determined at the same four temperatures. When these rates are …

Handel's Maser-Solution Theory Of Ball Lightning: The Creation Of Stable Three-Dimensional Cavitons By An Atmospheric Maser With An Open Resonator, Glenn Andrew Carlson

Doctoral Dissertations

"This dissertation develops details of Handel's Maser-Soliton Theory of ball lightning. The atmosphere between a thundercloud and the Earth's surface is modeled as an idealized stable open resonator with water vapor as the active medium and the thundercloud and Earth's surface as reflecting surfaces. The stable resonator generates a maser beam that narrows to the beam waist at the Earth's surface, which is assumed to be planar. Two candidate rotational transitions are identified within the v₁v₂v₃ = 010 vibrational band of water having wavelengths of 13.9 cm and 1.12 cm, and relevant spectroscopic parameters are retrieved from the HITRAN 2008 …

Theoretical Studies Of Few-Body Problems, Uttam Chowdhury

Doctoral Dissertations

"Heavy ion collisions with atomic and molecular targets produce many outcomes. The Schrödinger equation is not analytically soluble for more than two mutually interacting particles. As a result, theory must resort to using approximations, the validity of which is determined by comparison with experiment. This work is focused on finding better approximations to describe ionization and capture processes in proton collisions.

Proton-impact ionization of molecular hydrogen is treated as a 3-body problem. Usually the target is treated as an atomic target and the results are multiplied by an ad hoc factor to account for the molecular structure. Measured cross sections …

Synthesis And Applications Of Imidazolium-Based Ionic Liquids And Their Polymer Derivatives, Woon Su Oh

Doctoral Dissertations

"Imidazolium-based ionic liquids have been increasingly used as green solvents to replace the volatile and relatively toxic organic solvents, in homogeneous and heterogeneous catalysis, materials science, nano materials, lithium ion batteries, and separation technology. Section 1 describes the modulating effect of the imidazolium based room temperature ionic liquids (RTILs) on the critical micelle concentrations (CMC) of surfactants. CMC of sodium dodecyl sulfate (SDS), an anionic surfactant, has been investigated in aqueous solutions of a variety of room temperature ionic liquids (RTILs). CMC values decrease with increasing alkyl chain-length and with fluorinated side chains on the imidazole moiety. In section 2, …