Physics Commons^™

First Principles Investigation Of Energy Harvesting Materials For Green Environment, Mehreen Javed

Dissertations

The cutting-edge research of materials enables the discovery of novel energy harvesting materials. In this project the structural, electronic, magnetic, thermodynamic, thermoelectric, and optical properties of different energy harvesting materials are studied. The main objective of this work is primarily to study thermoelectrically efficient half-heuslers and photovoltaically active perovskites. Variant schematics of innovative compounds with defect introduction are investigated. The compositionally altered compounds designed by introducing crystallographic defects in terms of substitutional or interstitial dopants, offer new trends of material properties. To accomplish the task, Density Functional theory based computational packages (VASP and Wein2K) are used. Using defect and strain …

Electrical, Optical, And Thermal Properties Of Snse Based Materials With High Thermoelectric Performances, Najwa Qasem Al Bouzieh

Dissertations

This thesis conducts a thorough exploration of the characteristics and prospective applications of Tin Selenide (SnSe), a pivotal semiconductor for advancing contemporary electronics and optoelectronics. The investigation mainly focuses on comprehending the alterations in SnSe's properties when doped with elements such as Hafnium, Zinc, Bismuth, Germanium, Sodium, Iodine, and Silicon. 2D-SnSe allotropes, when doped with Hafnium, have exhibited remarkable optical characteristics, especially in the δ-SnSe allotrope, rendering it adaptable for varied optical uses like solar cells and LEDs. Additionally, evaluations of elasticity show improved resilience and augmented in-plane stiffness owing to Hf doping, occasionally reducing ductility. The work uniquely emphasizes …

Molecular Mechanisms Of Amyloid-Like Fibril Formation, Sharareh Jalali

Dissertations

Proteins play a critical role in living systems by performing most of the functions inside cells. The latter is determined by the protein's three-dimensional structure when it is folded in its native state. However, under pathological conditions, proteins can misfold and aggregate, accounting for the formation of highly ordered insoluble assemblies known as amyloid fibrils. These assemblies are associated with diseases like Parkinson's and Alzheimer's. Strong evidence suggests that three mechanisms are critical for forming amyloid fibrils. These mechanisms are the nucleation of amyloid fibrils in solution (primary nucleation) as well as on the surface of existing fibrils (secondary nucleation) …

Exploring Topological Phonons In Different Length Scales: Microtubules And Acoustic Metamaterials, Ssu-Ying Chen

Dissertations

The topological concepts of electronic states have been extended to phononic systems, leading to the prediction of topological phonons in a variety of materials. These phonons play a crucial role in determining material properties such as thermal conductivity, thermoelectricity, superconductivity, and specific heat. The objective of this dissertation is to investigate the role of topological phonons at different length scales.

Firstly, the acoustic resonator properties of tubulin proteins, which form microtubules, will be explored The microtubule has been proposed as an analog of a topological phononic insulator due to its unique properties. One key characteristic of topological materials is the …

Bacterial Motion And Spread In Porous Environments, Yasser Almoteri

Dissertations

Micro-swimmers are ubiquitous in nature from soil and water to mammalian bodies and even many technological processes. Common known examples are microbes such as bacteria, micro-algae and micro-plankton, cells such as spermatozoa and organisms such as nematodes. These swimmers live and have evolved in multiplex environments and complex flows in the presence of other swimmers and types, inert particles and fibers, interfaces and non-trivial confinements and more. Understanding the locomotion and interactions of these individual micro-swimmers in such impure viscous fluids is crucial to understanding the emergent dynamics of such complex systems, and to further enabling us to control and …

Fluid Dynamics Of Interacting Particles: Bouncing Droplets And Colloid-Polymer Mixtures, Lauren Barnes

Dissertations

Interacting particles are a common theme across various physical systems, particularly on the atomic and sub-atomic scales. While these particles cannot be seen with the human eye, insight into such systems can be gained by observing macroscopic systems whose physical behavior is similar. This dissertation consists of three different chapters, each presenting a different problem related to interacting particles, as follows:

Chapter 1 explores chaotic trajectories of a droplet bouncing on the surface of a vertically vibrating fluid bath, with a simple harmonic force acting on the droplet. The bouncing droplet system has attracted recent interest because it exhibits behaviors …

Boundary Integral Equation Methods For Superhydrophobic Flow And Integrated Photonics, Kosuke Sugita

Dissertations

This dissertation presents fast integral equation methods (FIEMs) for solving two important problems encountered in practical engineering applications.

The first problem involves the mixed boundary value problem in two-dimensional Stokes flow, which appears commonly in computational fluid mechanics. This problem is particularly relevant to the design of microfluidic devices, especially those involving superhydrophobic (SH) flows over surfaces made of composite solid materials with alternating solid portions, grooves, or air pockets, leading to enhanced slip.

The second problem addresses waveguide devices in two dimensions, governed by the Helmholtz equation with Dirichlet conditions imposed on the boundary. This problem serves as a …

Variable Resolution Smoothed Particle Hydrodynamics Schemes For 2-D And 3-D Viscous Flows, Francesco Ricci

Dissertations

Smoothed Particle Hydrodynamics (SPH) is a Lagrangian particle-based method for the numerical solution of the partial differential equations that govern the motion of fluids. The main aim of this thesis work is to better enable the applicability of SPH to problems involving multi-scale fluid dynamics. In the first part of the thesis, the capability of the SPH method to simulate three-dimensional isotropic turbulence is investigated with a detailed comparison of Lagrangian and Eulerian SPH formulations. The main reason for this first investigation is to provide an assessment of the error introduced by the particle disorder on the SPH discrete operators …

A Computational Kinetics Model To Quantify Radiation Induced Chemical Products Of Atmospheric Gas Mixtures, Patrick Ables

Dissertations

This research is focused on the development of a computational model which will calculate the effects of radiation on the chemical composition of the atmosphere. The approach utilizes the open-source chemical kinetics toolkit Cantera to model the creation of radiation-induced reactant species within irradiated air mixtures. Chemical solutions are iteratively stepped toward chemical equilibrium within a ‘constantly stirred’ (homogeneous) reactor of fixed volume. Three different radiation chemistry models are implemented in several different pulsed and continuous radiation schemes. The first model includes the mechanisms and rates of a pulse radiation model from the literature to test the validity of the …

Simulating Strongly Coupled Many-Body Systems With Quantum Algorithms, Manqoba Qedindaba Hlatshwayo

Dissertations

The complexity of the nuclear many-body problem is a severe obstacle to finding a general and accurate numerical approach needed to simulate medium-mass and heavy nuclei. Even with the advent of exascale classical computing, the impediment of exponential growth of the Hilbert space renders the problem intractable for most classical calculations. In the last few years, quantum algorithms have become an attractive alternative for practitioners because quantum computers are more efficient in simulating quantum physics than classical computers. While a fully fault-tolerant universal quantum computer will not be realized soon, this dissertation explores quantum algorithms for simulating nuclear physics suitable …

Importance Of Vegetation In Tsunami Mitigation: Evidence From Large Eddy Simulations With Fluid-Structure Interactions, Abhishek Mukherjee

Dissertations

Communities worldwide are increasingly interested in nature-based solutions like coastal forests for the mitigation of coastal risks. Still, it remains unclear how much protective benefit vegetation provides, particularly in the limit of highly energetic flows after tsunami impact. The present thesis, using a three-dimensional incompressible computational fluid dynamics model with a fluid-structure interaction approach, aims to quantify how energy reflection and dissipation vary with different degrees of rigidity and vegetation density of a coastal forest.

In this study, tree trunks are represented as cylinders, and the elastic modulus of hardwood trees such as pine or oak is used to characterize …

Origin And Structure Of The First Sharp Diffraction Peak Of Amorphous Solids, Devilal Dahal

Dissertations

Several explanations have been reported in the literature about the origin of extended-range oscillations (EROs) in the atomic pair-correlation function of amorphous materials. Although the radial ordering beyond the short-range order of about 5 Å has been extensively studied in amorphous materials, the exact nature of the radial ordering beyond a nanometer is still not resolved. This dissertation address this problem and explains the nature of the EROs by using high-quality models of amorphous silicon (a-Si) obtained from Monte Carlo and Molecular Dynamics simulations. The extended-range ordering in a-Si is examined through radial oscillations on the length …

Metal Oxide Based Materials For High Performance Supercapacitors, Hammad Mueen Arbi

Dissertations

Recent years have seen a healthy rise in the research and development of sustainable and renewable energy storage systems due to the pressing need to conserve natural resources and cut energy use. Due to the rapid growth in global population lately, there is a tremendous demand for energy to fulfill the ever-increasing needs. Innovative alternative energy sources and energy storage techniques are of tremendous interest for dealing with these current world issues. One promising solution for this is the recent research trend for achieving reliable and cost-effective high power and high energy density energy storage devices. On the basis of …

Lax Integrability And Solution Methods For The Nonlinear Schrödinger Equation With External Potentials: Exact Solutions And Applications, Laila Yahya Al Sakkaf

Dissertations

The investigation of a nonlinear differential equation (NLDE) integrability is the foundation for understanding and predicting the behavior of systems that are governed by that NLDE. The existence of a Lax pair (LP) representation is a reliable indicator of the indicator of the integrability of an NLDE. If an NLDE admits an LP, it is considered integrable in the LP sense, and this has important implications for the behavior and solutions of the system. The LP plays a crucial role in many powerful analytical solution methods for solving NLDEs. One such method is the Darboux transformation (DT), which allows for …

Ab-Initio Investigation Of 2d Materials For Gas Sensing, Energy Storage And Spintronic Applications, Saba Khan

Dissertations

The field of Two Dimensional (2D) materials has been extensively studied since their discovery in 2004, owing to their remarkable combination of properties. My thesis focuses on exploring novel 2D materials such as Graphene Nanoribbon (GNR), holey carbon nitride C₂N, and MXenes for energy storage, gas sensing, and spintronic applications, utilizing state-of-the-art techniques that combine Density Functional Theory (DFT) and Non-Equilibrium Greens Functions (NEGF) formalism; namely Vienna Ab-initio Simulation Package (VASP) and Atomistic Toolkit (ATK) package.
Firstly, on the side of gas sensing, the burning of fossil fuels raises the level of toxic gas and contributes to global …

Carrier Transport Engineering In Wide Bandgap Semiconductors For Photonic And Memory Device Applications, Ravi Teja Velpula

Dissertations

Wide bandgap (WBG) semiconductors play a crucial role in the current solid-state lighting technology. The AlGaN compound semiconductor is widely used for ultraviolet (UV) light-emitting diodes (LEDs), however, the efficiency of these LEDs is largely in a single-digit percentage range due to several factors. Until recently, AlInN alloy has been relatively unexplored, though it holds potential for light-emitters operating in the visible and UV regions. In this dissertation, the first axial AlInN core-shell nanowire UV LEDs operating in the UV-A and UV-B regions with an internal quantum efficiency (IQE) of 52% are demonstrated. Moreover, the light extraction efficiency of this …

Photonic Monitoring Of Atmospheric Fauna, Adrien P. Genoud

Dissertations

Insects play a quintessential role in the Earth’s ecosystems and their recent decline in abundance and diversity is alarming. Monitoring their population is paramount to understand the causes of their decline, as well as to guide and evaluate the efficiency of conservation policies. Monitoring populations of flying insects is generally done using physical traps, but this method requires long and expensive laboratory analysis where each insect must be identified by qualified personnel. Lack of reliable data on insect populations is now considered a significant issue in the field of entomology, often referred to as a “data crisis” in the field. …

Helioseismic Diagnostics Of Active Regions And Their Magnetic Fields, John T. Stefan

Dissertations

While two and a half decades of nearly constant observation by the Solar and Heliospheric Observatory (SOHO) and the Solar Dynamics Observatory (SDO) spacecraft have yielded key insights into the structure and dynamics of active regions, it is still unclear if active regions can be identified before emerging on the solar surface and, once emerged, whether the subsurface structure of an active region’s magnetic field can be measured. Regarding the dynamical processes associated with active regions, the height and mechanism of sunquake excitation remains poorly understood. To answer these questions, a comprehensive survey of active region magnetic fields and their …

Hydrodynamic Investigation Of The Discharge Of Complex Fluids From Dispensing Bottles Using Experimental And Computational Approaches, Baran Teoman

Dissertations

The discharge of non-Newtonian, complex fluids through orifices of industrial tanks, pipes, dispensers, or packaging containers is a ubiquitous but often problematic process because of the complex rheology of such fluids and the geometry of the containers. This, in turn, reduces the discharge rate and results in residual fluid left in the container, often referred to as heel. Heel formation is undesired in general, since it causes loss of valuable material, container fouling, and cross-contamination between batches. Heel may be of significant concern not only in industrial vessels but also in consumer packaging. Despite its relevance, the research in this …

Interactions Of Amyloid Peptides With Lipid Membranes, Yanxing Yang

Dissertations

The aggregation of amyloid proteins into fibrils is a hallmark of several diseases including Alzheimer’s (AD), Parkinson’s, and Type II diabetes. This aggregation process involves the formation of small size oligomers preceding the formation of insoluble fibrils. Recent studies have shown that these oligomers are more likely to be responsible for cell toxicity than fibrils. A possible mechanism of toxicity involves the interaction of oligomers with the cell membrane compromising its integrity. In particular, oligomers may form pore-like structures in the cell membrane affecting its permeability or they may induce lipid loss via a detergent-like effect. This dissertation aims to …

Stochastic Modeling Of Flows In Membrane Pore Networks, Binan Gu

Dissertations

Membrane filters provide immediate solutions to many urgent problems such as water purification, and effective remedies to pressing environmental concerns such as waste and air treatment. The ubiquity of applications gives rise to a significant amount of research in membrane material selection and structural design to optimize filter efficiency. As physical experiments tend to be costly, numerical simulation and analysis of fluid flow, foulant transport and geometric evolution due to foulant deposition in complex geometries become particularly relevant. In this dissertation, several mathematical modeling and analytical aspects of the industrial membrane filtration process are investigated. A first-principles mathematical model for …

Performance Analysis Of The Dominant Mode Rejection Beamformer, Enlong Hu

Dissertations

In array signal processing over challenging environments, due to the non-stationarity nature of data, it is difficult to obtain enough number of data snapshots to construct an adaptive beamformer (ABF) for detecting weak signal embedded in strong interferences. One type of adaptive method targeting for such applications is the dominant mode rejection (DMR) method, which uses a reshaped eigen-decomposition of sample covariance matrix (SCM) to define a subspace containing the dominant interferers to be rejected, thereby allowing it to detect weak signal in the presence of strong interferences. The DMR weight vector takes a form similar to the adaptive minimum …

Diagnostics Of Energy Release In Solar Flares With Radio Dynamic Imaging Spectroscopy, Yingjie Luo

Dissertations

Studies of the magnetic energy release and conversion process lie at the core of solar flare physics. Radio observations serve as a unique diagnostic method. In this dissertation, taking advantage of broadband radio dynamic imaging spectroscopy observations made by the Karl G. Jansky Very Large Array (VLA), studies are carried out on the flare energy release processes using different types of radio emissions.

The VLA is a general-purpose radio observatory located in New Mexico, which provides high-quality radio dynamic imaging spectroscopic observations with an ultra-fast time cadence. In the first study, stochastic decimetric radio spike bursts are observed by the …

Studying The Synthesis Of 196Hg At Astrophysically Relevant Energies Through The Measurement Of Capture Reaction Cross-Sections Of (P, Γ) (P, N) And (P, Α) Reactions, Khushi Bhatt

Dissertations

Understanding the origin of all the chemical elements is an important question for the nuclear-astrophysics community. There are many unanswered questions like: What astrophysical events are responsible for the synthesis of what particular chemical elements? How many different elements were made in total? What is the abundance of each synthesized element? etc. Currently, scientists are largely depending upon theory and simulations to define nuclear and astrophysical reaction. This makes it critical to have accurate experimental nuclear physics data to input in astrophysical theoretical models. However, out of more than 20000 reactions involved in these calculations, only a very few are …

Time-Dependent Photoionization Modeling Of Warm Absorbers In Active Galactic Nuclei, Dev Raj Sadaula

Dissertations

Warm absorber spectra are bound-bound and bound-free absorption features, seen in the X-ray and UV spectra from many active galactic nuclei (AGN). The widths and centroid energies of these features indicate they occur in outflowing gas moving with hundreds to thousands of km/s. Depending upon the energy and momentum of the outflow, it can affect the gas within the host galaxy. Thus, warm absorbers’ mass and energy budgets are of great interest. Estimates for these properties depend on models that connect the absorption features' observed strengths with the density, composition, and ionization state of the absorbing gas. Such models assume …

Probing The Equation Of State Of Neutron Stars With Heavy Ion Collisions, Om Bhadra Khanal

Dissertations

The equation of state (EOS) is a fundamental property of nuclear matter, important for studying the structure of systems as diverse as the atomic nucleus and the neutron star. Nuclear reactions, especially heavy-ion collisions in the laboratories, can produce the nuclear matter similar to those contained in neutron stars. The density and the momentum dependence of the EOS of asymmetric nuclear matter, especially the symmetry energy term, is widely unconstrained. Finding appropriate constrains, especially at higher densities of the nuclear matter, requires the development of new devices, new experimental measurements as well as advances in theoretical understanding of nuclear collisions …

Waves And Oscillations In A Sunspot: Observations And Modeling Of Noaa Ar 12470, Yi Chai

Dissertations

Waves and oscillations are important solar phenomena not only because they can propagate and dissipate energy in the chromosphere, but also because they carry information about the structure of the atmosphere in which they propagate. Among these phenomena, the one of the most interesting ones occurs in the sunspot umbra. In this area, continuously propagating magnetohydrodynamic (MHD) waves generated from below the photosphere create the famous 3-minute sunspot umbral oscillations that affect the line profile of spectral lines due to temperature, density, and velocity changes of the plasma in the region. In the past decades, numerous observations and models have …

Nondestructive Evaluation Of 3d Printed, Extruded, And Natural Polymer Structures Using Terahertz Spectroscopy And Imaging, Alexander T. Clark

Dissertations

Terahertz (THz) spectroscopy and imaging are considered for the nondestructive evaluation (NDE) of various three-dimensional (3D) printed, extruded, and natural polymer structures. THz radiation is the prime candidate for many NDE challenges due to the added benefits of safety, increased contrast and depth resolution, and optical characteristic visualization when compared to other techniques. THz imaging, using a wide bandwidth pulse-based system, can evaluate the external and internal structure of most nonconductive and nonpolar materials without any permanent effects. NDE images can be created based on THz pulse attributes or a material’s spectroscopic characteristics such as refractive index, attenuation coefficient, or …

Investigation Of Topological Phonons In Acoustic Metamaterials, Wenting Cheng

Dissertations

Topological acoustics is a recent and intense area of research. It merges the knowledge of mathematical topology, condensed matter physics, and acoustics. At the same time, it has been pointed out that quasiperiodicity can greatly enhance the periodic table of topological systems. Because quasiperiodic patterns have an intrinsic global degree of freedom, which exists in the topological space called the hull of a pattern, where the shape traced in this topological space is called the phason. The hull augments the physical space, which opens a door to the physics of the integer quantum Hall effect (IQHE) in arbitrary dimensions. In …

Numerical Methods For Optimal Transport And Optimal Information Transport On The Sphere, Axel G. R. Turnquist

Dissertations

The primary contribution of this dissertation is in developing and analyzing efficient, provably convergent numerical schemes for solving fully nonlinear elliptic partial differential equation arising from Optimal Transport on the sphere, and then applying and adapting the methods to two specific engineering applications: the reflector antenna problem and the moving mesh methods problem. For these types of nonlinear partial differential equations, many numerical studies have been done in recent years, the vast majority in subsets of Euclidean space. In this dissertation, the first major goal is to develop convergent schemes for the sphere. However, another goal of this dissertation is …