Physics Commons^™

Nonlinear Optical Studies Of Interfacial Ferroelectricity And Strain Distribution In Perovskite Dielectric Films, Tony Le

Dissertations, Theses, and Capstone Projects

Dielectric and ferroelectric perovskite films have been model energy storage structures for their low-dielectric loss, extremely high charge-discharge speed, and good temperature stability, yet there is still much to understand about the material’s limitations. This dissertation presents a detailed understanding of the strain-induced ferroelectricity at the boundary between a strontium titanate (SrTiO₃) ultrathin film epitaxially grown on a germanium (Ge) substrate through optical second harmonic generation (SHG), and the polydomain distribution in the Zr-doped BaTiO₃ (BZT) films by time-resolved pump-probe spectroscopy.

First, SHG measurements were performed to reveal interfacial ferroelectricity in the epitaxial SrTiO₃/Ge (100) …

Diffraction-Based Studies Of Magneto- And Baro-Caloric Materials, Steven P. Vallone

Dissertations, Theses, and Capstone Projects

The field of calorics represents a class of materials that offer the potential for solid-state cooling and heating, and, given the global climate crisis, comprise a necessary and active area of research. A clear and thorough understanding of their internal structural interactions and their external response to the environment is necessary for overall progress in the field, as accurate theoretical modeling and efficient materials design for devices both depend on this information. Through analysis of x-ray and neutron diffraction, the atomic order and disorder that drives these interactions is revealed. This dissertation focuses on diffraction studies concerning representative samples from …

Developing Dynamical Probes Of Quantum Spin Liquids Inspired By Techniques From Spintronics, Joshua Aftergood

Dissertations, Theses, and Capstone Projects

We theoretically study low dimensional insulating spin systems using spin fluctuations as a probe of the spin dynamics. In some systems, low dimensionality in conjunction with other quantum fluctuation enhancing effects impedes spontaneous generation of long range magnetic ordering down to zero absolute temperature. In particular, we focus on exotic spin systems hosting mobile, fractionalized spin excitations above their ground state, and ultimately show that techniques already commonplace in spintronics can be utilized in the context of quantum magnetism to develop probes of exotic ground states.

We initially consider quantum spin chains (QSCs), and examine a system of two exchange-coupled …

Monte Carlo, Molecular Dynamics And Network Analysis Of The Gramicidin Water Channel And Proton Transfer Pathways To Qb In Photosynthetic Reaction Centers, Yingying Zhang

Dissertations, Theses, and Capstone Projects

Water molecules play a key role in all biochemical processes. They help define the shape of proteins, and they are reactant or product in many reactions and are released as ligands are bound. They facilitate transfer of protons through transmembrane proton channel, pump and transporter proteins. Continuum electrostatics (CE) force fields such as used in MCCE (Multi-Conformation Continuum Electrostatics) capture electrostatic interactions in biomolecules with an implicit solvent, to give the averaged solvent water equilibrium properties. Hybrid CE methods can use explicit water molecules within the protein surrounded by implicit solvent. These hybrid methods permit the study of explicit hydrogen …

Wave Excitation And Dynamics In Disordered Systems, Yiming Huang

Dissertations, Theses, and Capstone Projects

This thesis presents studies of the field and energy excited in disordered systems as well as the dynamics of scattering.

Dynamic and steady state aspects of wave propagation are deeply connected in lossless open systems in which the scattering matrix is unitary. There is then an equivalence among the energy excited within the medium through all channels, the Wigner time delay, which is the sum of dwell times in all channels coupled to the medium, and the density of states. But these equivalences fall away in the presence of material loss or gain. In this paper, we use microwave measurements, …

Topological Classical Wave Systems With Modulations, Interactions, And Higher-Order Topological States, Mengyao Li

Dissertations, Theses, and Capstone Projects

Topological phases in classical wave systems, such as photonic and acoustic, have been actively investigated and applied for wave guiding, lasing, and numerous other novel phenomena and device applications Topological phase transitions enable robust boundary states, and the field has been broadening recently into a vast variety of systems with temporal modulations and interactions. Floquet modulation, for example, is the modulation applied periodically in time which may break symmetries and leads to novel topological phases.

Introducing non-Hermitian Floquet modulation enables more interesting phenomena including bandgap in imaginary part of the spectrum and gainy/lossy topological edge states with complex energy values. …

Linear And Non Linear Properties Of Two-Dimensional Exciton-Polaritons, Mandeep Khatoniar

Dissertations, Theses, and Capstone Projects

Technology has been accelerating at breakneck speed since the first quantum revolution, an era that ushered transistors and lasers in the late 1940s and early 1960s. Both of these technologies relied on a matured understanding of quantum theories and since their inception has propelled innovation and development in various sectors like communications, metrology, and sensing. Optical technologies were thought to be the game changers in terms of logic and computing operations, with the elevator pitch being "computing at speed of light", a fundamental speed limit imposed by this universe’s legal system (a.k.a physics). However, it was soon realized that that …

Molecular Dynamics Simulations Of Self-Assemblies In Nature And Nanotechnology, Phu Khanh Tang

Dissertations, Theses, and Capstone Projects

Nature usually divides complex systems into smaller building blocks specializing in a few tasks since one entity cannot achieve everything. Therefore, self-assembly is a robust tool exploited by Nature to build hierarchical systems that accomplish unique functions. The cell membrane distinguishes itself as an example of Nature’s self-assembly, defining and protecting the cell. By mimicking Nature’s designs using synthetically designed self-assemblies, researchers with advanced nanotechnological comprehension can manipulate these synthetic self-assemblies to improve many aspects of modern medicine and materials science. Understanding the competing underlying molecular interactions in self-assembly is always of interest to the academic scientific community and industry. …

The Exact Factorization Equations For One- And Two-Level Systems, Bart Rosenzweig

Theses and Dissertations

Exact Factorization is a framework for studying quantum many-body problems. This decomposes the wavefunctions of such systems into conditional and marginal components. We derive corresponding evolution equations for molecular systems whose conditional electronic subsystems are described by one or two Born-Oppenheimer levels and develop a program for their mathematical study.

Skyrmions And Biskyrmions In Magnetic Films, Daniel Capic

Dissertations, Theses, and Capstone Projects

Skyrmions have garnered significant attention in condensed matter systems in recent years. In principle, they are topologically protected, so there is a large energy barrier preventing their annihilation. Furthermore, they can exist at the nanoscale, be manipulated with very small currents, and be created by a number of different methods. This makes them attractive for use in potential computing applications. This work studies ferromagnetic skyrmions. In particular, it highlights our small contributions to the field of skyrmions in condensed matter systems, specifically in thin-film ferromagnets.

Optimization Of Materials For Magnetic Refrigeration And Thermomagnetic Power Generation, Anthony N. Tantillo

Dissertations, Theses, and Capstone Projects

The magnetocaloric effect, by which a magnetic material experiences a change in temperature due to an applied magnetic field, can be used for refrigeration. The corollary to the magnetocaloric effect -- known as the pyromagnetic effect -- is the phenomenon by which a magnetic material experiences a thermally-induced change in magnetization that can be used to harvest thermal energy. This dissertation has two main parts: one focusing on novel materials for energy harvesting; and another focusing on methods of materials discovery for refrigeration purposes. Thermomagnetic power generation (TMG) is the process by which magnetic flux, which comes from a temperature-driven …

Quantum Transport In Topological Magnets, Haiming Deng

Dissertations, Theses, and Capstone Projects

In the past several years, a new field of symmetry-protected topological materials has emerged in condensed matter physics, based on the wide range of consequences that result from the realization that certain properties of physical systems can be expressed as topological invariants, which are insensitive to local perturbations. This new class of materials hosts unique surface/edge states, such as the first known topological system – quantum Hall insulator with dissipationless chiral edge states, and massless spin-helical Dirac surface states in 3D topological insulators that are unlike any other known 1D or 2D electronic systems. In this thesis, to understand the …

Role Of Protonation State Changes And Hydrogen Bonding Around The Oxygen Evolving Complex Of Photosystem Ii, Divya Matta

Dissertations, Theses, and Capstone Projects

The mechanism of natural photosynthesis involves the use of solar energy to produce O₂ we breathe and food and fuel we intake. This process results in the biological oxidation of water that takes place at room temperature, neutral pH using earth abundant elements Ca and Mn. Understanding how this challenging chemical reaction occurs in photosynthesis can be useful for designing better artificial photosynthetic complexes that can be used as biofuels. My doctoral work is to study the deprotonation and oxidation events elucidating the mechanistic details of proton coupled electron transfer reaction in a photosynthetic protein.

The O₂ evolution …

Third Harmonic Generation: A Method For Visualizing Myelin In The Murine Cerebral Cortex, Michael Redlich

Dissertations, Theses, and Capstone Projects

Here we present the use of Third Harmonic Generation (THG) for the label-free imaging of myelinated axons in the murine cerebral cortex. Myelin plays an important role in the processes of learning and disease. However, much of the myelin biology research thus far has focused on white matter tracts where myelin is more visible. Much is still unknown, particularly with regard to myelin in gray matter. First, we engage in THG microscopy using an optical parametric oscillator pumped by a titanium-sapphire laser to demonstrate the utility of the technique for imaging myelin in vivo. Second, we investigate the use of …

Using The Marcus Inverted Region And Artificial Cofactors To Create A Charge Separated State In De Novo Designed Proteins, Eskil Me Andersen

Dissertations, Theses, and Capstone Projects

To create an efficient de novo photosynthetic protein it is important to create long lived charge separated states. Achieving stable charge separation leads to an increase in the efficiency of the photosynthetic reaction which in turn leads to higher yields of end products, such as biofuels, electrical charge, or synthetic chemicals. In an attempt to create charge separated states in de novo proteins we hypothesized that we could engineer the free energy gaps in the proteins from excited primary donor (PD) to acceptor (A), and A back to ground state PD such that the forward electron transfer (ET) would be …

Frozen In Time: A Numerical Modeling Approach To The Study Of Ice Bearing Planetesimals Through Carbonaceous Chondrites, Jasmine M. Bayron

Dissertations, Theses, and Capstone Projects

Icy planetesimals are significant objects of study for meteoritics, planetary science, and astrobiology due to their connections to the origins of life and liquid water on Earth. An existing closed system aqueous alteration model was adapted to simulate several scenarios involving early Solar System geologic processes occurring in an icy planetesimal interior. The model described in this work has been developed not only to test the validity of constraints currently thought to apply to CM1 parent bodies, but to directly compare the implications of these constraints for the isotopic composition and the modal mineralogy of carbonaceous chondrites. Isotopic ratios of …

Interactions Of Organic Fluorophores With Plasmonic Surface Lattice Resonances, Robert J. Collison

Dissertations, Theses, and Capstone Projects

It is common knowledge that metals, alloys and pure elements alike, are lustrous and reflective, the more so when a metal surface is flat, polished, and free from oxidation and surface fouling. However, some metals reflect visible light, in the 380 nm to 740 nm range of wavelengths, much more strongly than others. In particular, some metals reflect wavelengths in certain portions of the ultraviolet (UV), visible, and near-infrared (NIR) regime, let us say 200 nm to 2000 nm, while absorbing light strongly in other segments of this range. There are several factors that account for this difference between various …

Mechanism Of Action Of Dihydropteridine Reductase, Gabriela Arias De La Rosa

Dissertations, Theses, and Capstone Projects

Human dihydropteridine reductase is an enzyme that transfers a hydride from NADH to reduce quinonoid 7,8-dihydropterin (qBH₂) to 5,6,7,8-tetrahydropterin (BH₄), which is a cofactor important in the production of neurotransmitters.DHPR deficiency causes a drastic form of the neurological genetic disease phenylketonuria (PKU) that does not benefit from a phenylalanine-free diet.From site-directed mutagenesis studies, mostly on Rat DHPR, we know that certain residues are important for cofactor binding, substrate binding, and hydride transfer; however, there are still some questions about how DHPR works, particularly, because there is not a crystal structure of the tertiary complex: What is …

On The Improvements Of Boundary-Layer Representation For High Resolution Weather Forecasting In Costal-Urban Environments, David Melecio-Vazquez

Dissertations and Theses

As large urban centers around the world become more densely populated, the global conversion from natural to man-made land surfaces will only increase. These land-use changes affect the urban surface energy budget which in turn changes the structure of the planetary boundary layer (PBL) above. With current high-performance computing systems, meteorological and built environment information can be better utilized to quantify the anthropogenic effects of these modifications. Although these systems have improved forecasting near-surface weather conditions, a comprehensive approach to represent urban impacts on the PBL is still limited. Improved PBL representation can lead to better weather and climate forecasts, …

Polarization Sensitive Imaging Techniques Using Quantum Entangled Qubits, Vitaly Sukharenko

Dissertations and Theses

The aim of this research is to study imaging techniques using quantum entangled qubits. These techniques extract information about the quantum state of two entangled qubits and corelate the degree of entanglement to each pixel. Imaging information of the underlying structure or material is decoded using the reconstruction of the quantum density matrix along with the calculated entanglement and concurrence levels between the two qubits. Reconstruction of a quantum state and quantum state tomography are of increasing importance in quantum information science. Quantum state tomography is used to describe entanglement of trapped ions [1] and photons [2]. Number of experiments …