Physical Sciences and Mathematics Commons^™

New Synthetic Reactions Enabled By Protected Oxyallyl And Amidoallyl Cations, Binod Nepal

LSU Doctoral Dissertations

This dissertation entails design and development of two new synthetic methodologies made possible through the generation of cationic species, namely oxyallyl and amidoallyl cations. Chapter 1 involves literature survey on generation and trapping of oxyallyl cations. Mostly known for cycloaddition reactions with these elusive species, the most recent approach of direct nucleophilic capture of oxyallyl cations are discussed. Apt design of substrates and reaction conditions by Kartika Group to access a-electrophilic carbon towards the synthesis of a variety of value-added compounds, i.e., 1,4- and 1,6-dicarbonyls, carbazoles, densely substituted pyrroles and furans are elaborated.

Chapter 2 focuses on our discovery of …

Tuning Properties Of Topological Insulators: An Ab-Initio Approach, Karunya Shailesh Shirali

LSU Doctoral Dissertations

This thesis develops a first-principles based approach to explore the tuning of topological properties of the tetradymite topological insulators. We begin by setting up a framework to systematically obtain the bulk and surface properties of topological insulators, treating the structural and electronic properties on an equal footing. We determine a consistent method for including the van der Waals interactions, which are responsible for the weak coupling between sets of atomic layers in this family of layered materials, which is important in obtaining accurate structural properties. We obtain close agreement with experimental values for both the bulk and surface states.

To …

Anticipating Stochastic Integrals And Related Linear Stochastic Differential Equations, Sudip Sinha

LSU Doctoral Dissertations

Itô’s stochastic calculus revolutionized the field of stochastic analysis and has found numerous applications in a wide variety of disciplines. Itô’s theory, even though quite general, cannot handle anticipating stochastic processes as integrands. There have been considerable efforts within the mathematical community to extend Itô’s calculus to account for anticipation. The Ayed–Kuo integral — introduced in 2008 — is one of the most recent developments. It is arguably the most accessible among the theories extending Itô’s calculus — relying solely on probabilistic methods. In this dissertation, we look at the recent advances in this area, highlighting our contributions. First, we …

Practical Considerations And Applications For Autonomous Robot Swarms, Rory Alan Hector

LSU Doctoral Dissertations

In recent years, the study of autonomous entities such as unmanned vehicles has begun to revolutionize both military and civilian devices. One important research focus of autonomous entities has been coordination problems for autonomous robot swarms. Traditionally, robot models are used for algorithms that account for the minimum specifications needed to operate the swarm. However, these theoretical models also gloss over important practical details. Some of these details, such as time, have been considered before (as epochs of execution). In this dissertation, we examine these details in the context of several problems and introduce new performance measures to capture practical …

A New Perspective On A Polynomial Time Knot Polynomial, Robert John Quarles

LSU Doctoral Dissertations

In this work we consider the Z1(K) polynomial time knot polynomial defined and
described by Dror Bar-Natan and Roland van der Veen in their 2018 paper ”A polynomial time knot polynomial”. We first look at some of the basic properties of Z1(K), and develop an invariant of diagrams Ψm(D) related to this polynomial. We use this invariant as a model to prove how Z1(K) acts under the connected sum operation. We then discuss the effect of mirroring the knot on Z1(K), and described a geometric interpretation of some of the building blocks of the invariant. We then use these to …

General Stochastic Calculus And Applications, Pujan Shrestha

LSU Doctoral Dissertations

In 1942, K. Itô published his pioneering paper on stochastic integration with respect to Brownian motion. This work led to the framework for Itô calculus. Note that, Itô calculus is limited in working with knowledge from the future. There have been many generalizations of the stochastic integral in being able to do so. In 2008, W. Ayed and H.-H. Kuo introduced a new stochastic integral by splitting the integrand into the adaptive part and the counterpart called instantly independent. In this doctoral work, we conduct deeper research into the Ayed–Kuo stochastic integral and corresponding anticipating stochastic calculus.

We provide a …

Advanced Communication And Sensing Protocols Using Twisted Light And Engineered Quantum Statistics, Michelle L. Lollie

LSU Doctoral Dissertations

Advanced performance of modern technology at a fundamental physical level is driving new innovations in communication, sensing capability, and information processing. Key to this improvement is the ability to harness the power of physical phenomena at the quantum mechanical level, where light and light-matter interactions produce technological advancement not realizable by classical means. Theoretical investigation into quantum computing, sensing capability beyond classical limits, and quantum information has prompted experimental work to bring state-of-the-art quantum systems to the forefront for commercial use. This dissertation contributes to the latter portion of the work. A set of preliminaries is included highlighting pertinent physical …

Characterizations Of Certain Classes Of Graphs And Matroids, Jagdeep Singh

LSU Doctoral Dissertations

``If a theorem about graphs can be expressed in terms of edges and cycles only, it probably exemplifies a more general theorem about matroids." Most of my work draws inspiration from this assertion, made by Tutte in 1979.

In 2004, Ehrenfeucht, Harju and Rozenberg proved that all graphs can be constructed from complete graphs via a sequence of the operations of complementation, switching edges and non-edges at a vertex, and local complementation. In Chapter 2, we consider the binary matroid analogue of each of these graph operations. We prove that the analogue of the result of Ehrenfeucht et. al. does …

Competitive Sorption And Transport Of Heavy Metals In Soil And Mn Oxide-Coated Sand, Joshua Tyler Padilla

LSU Doctoral Dissertations

This study investigated the competitive sorption of Ni, Pb, and Zn as well as synergistic interactions between Ni and phosphate (P) in soils and Mn oxide-coated sand. During stirred-flow experiments, the sorption of heavy metal cations by Olivier soil was mutually reduced when applied simultaneously. When applied consecutively, the cation of higher affinity was able to displace the cation of lower affinity from the soil surface, however, no evidence for the reverse case was observed. A novel general exchange kinetics model was able to correctly describe such displacement. Competition between Ni and Zn mutually increased mobility in Olivier and Windsor …

Unavoidable Structures In Large And Infinite Graphs, Sarah Allred

LSU Doctoral Dissertations

In this work, we present results on the unavoidable structures in large connected and large 2-connected graphs. For the relation of induced subgraphs, Ramsey proved that for every positive integer r, every sufficiently large graph contains as an induced subgraph either K_r or K_r. It is well known that, for every positive integer r, every sufficiently large connected graph contains an induced subgraph isomorphic to one of K_r, K_1,r, and P_r. We prove an analogous result for 2-connected graphs. Similarly, for infinite graphs, every infinite connected graph contains an induced subgraph …

New Aspects Of Optical Coherence And Their Potential For Quantum Technologies, Nathaniel Robert Miller

LSU Doctoral Dissertations

Currently, optical technology impacts most of our lives, from light used in scientific measurement to the fiber optic cables that makeup the backbone of the internet. However, as our current optical infrastructure grows, we discover that these technologies are not limitless. Astronomers find themselves unable resolve stars that are too close to one another. Meanwhile, the internet is always under threat as our computer technology improves and more complex ways to break encryption emerge, threatening our personal information and infrastructure. However, our current optical technology functions on classical principles, and can be easily improved by incorporating our knowledge of quantum …

A Numerical Investigation Of Flood And Sediment Dynamics Over The Coastal Watersheds During Hurricane Events, Dongxiao Yin

LSU Doctoral Dissertations

Landfalling tropical cyclones can cause catastrophic floods and sediment disturbance over the coastal watersheds. This study aims to unravel the contribution of different processes to hurricane-induced flooding, to assess the uncertainties in flood modelling and forecasting, and to advance the techniques in sediment simulation over coastal watersheds during hurricanes.

First, I examined the hydrometeorology and hydrology of Hurricane Florence (2018) induced inland flooding. My results suggest that the slow motion in combination with the “L-shaped” path was the most distinctive feature of the hurricane that incurred catastrophic and widespread rainfall and flooding over the Cape Fear River Basin (CFRB).

Second, …

Are Long-Period Exoplants Around Cool Stars More Common Than We Thought?, Emily Jane Safron

LSU Doctoral Dissertations

The Kepler mission has been the catalyst for discovery of nearly 5,000 confirmed and candidate exoplanets. The majority of these candidates orbit Sun-like stars, and have orbital periods comparable to or shorter than that of the Earth, due to the selection bias inherent in the transit method and the limitations of automated transit search algorithms. We aim to develop a richer understanding of the population of exoplanets around the lowest-mass stars, the M spectral type. We are particularly interested in exoplanets with long orbital periods, which are difficult or impossible to find using standard transit search algorithms. In our study, …

Performance Analysis And Improvement For Scalable And Distributed Applications Based On Asynchronous Many-Task Systems, Nanmiao Wu

LSU Doctoral Dissertations

As the complexity of recent and future large-scale data and exascale systems architectures grows, so do productivity, portability, software scalability, and efficient utilization of system resources challenges presented to both industry and the research community. Software solutions and applications are expected to scale in performance on such complex systems. Asynchronous many-task (AMT) systems, taking advantage of multi-core architectures with light-weight threads, asynchronous executions, and smart scheduling, are showing promise in addressing these challenges.

In this research, we implement several scalable and distributed applications based on HPX, an exemplar AMT runtime system. First, a distributed HPX implementation for a parameterized benchmark …

Synthesis Of Thiol-Acrylate Hydrogels For 3d Cell Culture And Microfluidic Applications, Anowar Hossain Khan

LSU Doctoral Dissertations

Globally cell culture is an $18.98 billion industry as of 2020, with an 11.6 percent annual growth rate. Drug discovery has an estimated worth of $69.8 billion in 2020 and is predicted to grow to $110.4 billion by 2025. Three-dimensional (3D) cell culture of cancer cells is one of the rapidly growing felids since it better recapitulates in vivo conditions compared to two-dimensional (2D) models. However, it is challenging to grow 3D tumor spheroids outside the body, and some of the existing technology can generate these spheroids outside the human body but poorly mimic in vivo tumor models. Therefore, there …

The Spectra Of Hydrogen-Deficient Carbon Stars: The Effects Of Evolution And Nucleosynthesis, Courtney Lauren Crawford

LSU Doctoral Dissertations

The rare class of stars known as the Hydrogen-deficient Carbon (HdC) stars includes the R Coronae Borealis (RCB) variables and the non-variable Dustless HdC (dLHdC) stars. These stars are believed to be formed via the merger of two white dwarf (WD) stars. They are known to exhibit many spectral peculiarities, such as partial helium burning products, enhancement of s-processed material and severe hydrogen-deficiency. In this work I explore many facets of HdC evolution. I begin by creating 18 HdC models in the stellar evolution code Modules for Experiments in Stellar Astrophysics (MESA) by merging two WD progenitors and evolving the …

Computational Study Of The Reactions Of Heteroatomic Compounds On Ceo2, Suman Bhasker Ranganath

LSU Doctoral Dissertations

The mechanisms of ambient-temperature reactions of heteroatomic compounds catalyzed by ceria (CeO₂), an archetypical reducible oxide, for enzyme mimetics, environmental protection, and chemical synthesis are investigated in this dissertation using theoretical methods. CeO₂ is modeled with thermodynamically stable low-index surfaces exposed by commonly studied ceria thin films and nano particles. To understand phosphatase-like dephosphorylation activity, stable adsorption states and surface reactions of model phosphates are examined. Binding of the central P-atom to surface lattice oxygen (O_latt) supplemented by phosphoryl O-Ce interaction is the only stable adsorption state for the un-dissociated molecule. Deprotonation of phosphate monoesters, …

Kinetics, Characterization, And Applications In The Development Of Next-Generation Cure-On-Demand Polymeric Materials Through Frontal Polymerization, Daniel Paul Gary

LSU Doctoral Dissertations

Frontal polymerization (FP) is a process in which a front propagates in a localized reaction zone converting monomer into polymer. This work explored the kinetics and applications of FP for the development of cure-on-demand materials.

The kinetic effects of fillers on frontal polymerization have not been thoroughly explored. In Chapter 2, various fillers were used, and their effects on front velocity and front temperature were determined. Clay minerals are primarily used, but the thermal conductive effects of milled carbon fiber were also explored. It was found that some fillers inhibit frontal polymerization through radical scavenging, while others increased the front …

Digital Discrimination In The Sharing Economy: Evidence, Policy, And Feature Analysis, Miroslav Tushev

LSU Doctoral Dissertations

Applications (apps) of the Digital Sharing Economy (DSE), such as Uber, Airbnb, and TaskRabbit, have become a main facilitator of economic growth and shared prosperity in modern-day societies. However, recent research has revealed that the participation of minority groups in DSE activities is often hindered by different forms of bias and discrimination. Evidence of such behavior has been documented across almost all domains of DSE, including ridesharing, lodging, and freelancing. However, little is known about the under- lying design decisions of DSE systems which allow certain demographics of the market to gain unfair advantage over others. To bridge this knowledge …

Infrared Investigation Of Lithium Ion Electrolytes: Characterization Of Structure And Dynamics Via Linear And Nonlinear Spectroscopy, Jeramie Christopher Rushing

LSU Doctoral Dissertations

Lithium ion batteries are widely employed in energy storage, but the connection between the molecular interactions in their electrolytes and the macroscopic properties remains elusive. Across three vastly different electrolytes, speciation and dynamics were studied via linear and nonlinear infrared spectroscopy to shed light on this relationship. The impact of mixed solvation on ionic speciation was studied from the perspective of the anion, which revealed a significant energetic favorability for the formation of contact ion pairs in linear carbonate solvents over cyclic carbonates. Infrared spectroscopy and density functional theory calculations described a complete inversion of the speciation due to solvent …

Deformed No-Core Shell Model And Symplectic Effective Field Theory, David Kekejian

LSU Doctoral Dissertations

Most nuclei are deformed! This simple fact has been established since Bohr and Mot- telson, and successfully demonstrated from first principles by nuclear structure calculations carried out using the ab-initio Symmetry-Adapted No-Core Shell Model (SA-NCSM) us- ing realistic interactions. This simple fact has been the main driver towards understanding the underlying physics; namely, that symplectic symmetry describes deformation and is a dominant symmetry in all nuclei independent of A (nucleon number) and of the realistic interaction used. These two simple observations laid the foundation of this thesis work to explore the applications of symplectic symmetry towards defining a deformed symplectic …

Using Memory Forensics To Analyze Programming Language Runtimes, Modhuparna Manna

LSU Doctoral Dissertations

The continued increase in the use of computer systems in recent times has led to a significant rise in the capabilities of malware and attacker toolkits that target different operating systems and their users. Over the last several years, cybersecurity threat reports have documented numerous instances of users that were targeted by governments, intelligence agencies, and criminal groups, and the result was that the victims ended up having highly sophisticated malware installed on their systems. Unfortunately, the rise of these threats has not been met with equal research and development of defensive mechanisms that can detect and analyze such malware. …

Droplet-Based Fuel Property Measurements, Wanjun Dang

LSU Doctoral Dissertations

Ongoing work to find renewable biofuels to function as drop-in replacements or blending components with gasoline has identified a large number of fuel candidates. Given the vast number of potential biomass-derived fuel molecules and limited sample sizes, screening tools are required to down-select candidate fuels having desired physical properties to ensure good engine performance. This work investigates approaches for rapid screening of candidate fuels using micro-liter sample sizes targeting four properties -- surface tension, viscosity, heat of vaporization (HOV), and vapor pressure. Measurement techniques for fuel properties are developed based on unit phenomena for liquid fuel droplets including droplet oscillation …

Functional Structure Of Biomacromolecules In Plant Biomass Using Solid-State Nmr And Dynamic Nuclear Polarization, Alex Kipchirchir Kirui

LSU Doctoral Dissertations

This dissertation summarizes the recent findings on complex biomacromolecules in cell wall of plants and fungi which perform important roles in cell recognition, structural build up, and energy storage. Because of the technical difficulty in characterizing these biomacromolecules, which are often polymorphic and disordered in structure, the functional structure of these biomacromolecules remains elusive. In this dissertation, I present two solid-state nuclear magnetic resonance (ssNMR) and dynamic nuclear polarization (DNP) studies of carbohydrate-rich biosystems: the energy-rich plant biomass and disease-relevant, pathogenic fungi.

First, we have investigated the secondary cell wall of plant biomass which is a carbohydrate-rich biosystem using solid …

Limits On Parameter Estimation Of Quantum Channels, Vishal Katariya

LSU Doctoral Dissertations

The aim of this thesis is to develop a theoretical framework to study parameter estimation of quantum channels. We begin by describing the classical task of parameter estimation that we build upon. In its most basic form, parameter estimation is the task of obtaining an estimate of an unknown parameter from some experimental data. This experimental data can be seen as a number of samples of a parameterized probability distribution. In general, the goal of such a task is to obtain an estimate of the unknown parameter while minimizing its error.

We study the task of estimating unknown parameters which …

Non-Adiabatic Excited State Molecular Dynamics Using Ehrenfest And Modulated X-Ray Absorption In Titania, Alexander Matthew Meyer

LSU Doctoral Dissertations

This dissertation contains two separate sections aside from an introduction (Chapter 1): theory and methods (Chapter 2), time dependent density functional theory with Ehrenfest for excited state lifetimes in materials (Chapter 3), and simulated field modulated X-ray absorption in titania (Chapter 4).

Excited state lifetime in insulators and semiconductors can be difficult to compute using quantum chemistry due to their dense excited states. Non-radiative decay in these materials requires the use of non-adiabatic effects to dissipate energy through the means of electron-nuclear coupling such as coherent phonon generation. One method of approaching this challenge in these materials is using Ehrenfest …

Congruences Between Coefficients Of A Class Of Eta-Quotients And Their Applications To Combinatorics, Shashika Petta Mestrige

LSU Doctoral Dissertations

Ramanujan in $1920$s discovered remarkable congruence properties of the partition function $p(n)$. Later, Watson and Atkin proved these congruences using the theory of modular forms. Atkin, Gordon, and Hughes extended these works to $k$-colored partition functions. In $2010$, Folsom-Kent-Ono and Boylan-Webb proved the congruences of $p(n)$ by studying a $\ell$-adic module associated with a certain sequence of modular functions which are related to $p(n)$.

Primary goal of this thesis is to generalize the work of Atkin, Gordon, Hughes, Folsom-Kent-Ono, and Boylan-Webb about the partition function to a larger class of partition functions. For this purpose we study a closely related …

System Design And Optimization For Efficient Flash-Based Caching In Data Centers, Jian Liu

LSU Doctoral Dissertations

Modern data centers are the backbone of today’s Internet-based services and applications. With the explosive growth of the Internet data and a wider range of data-intensive applications being deployed, it is increasingly challenging for data centers to satisfy the ever-increasing demand for high-quality data services. To relieve the heavy burden on data center systems and accelerate data processing, a popular cost-efficient solution is to deploy high-speed, large-capacity flash-based cache systems. However, we are facing multiple critical challenges from device hardware, systems, to application workloads. In this dissertation, we focus on designing highly efficient caching solutions to cope with the explosive …

Interface-Induced Lattice Structure And Magnetism In Ultrathin Transition Metal Oxide Trilayers, David Howe

LSU Doctoral Dissertations

The study of magnetism has been a rich playground in condensed matter physics due to the multiple mechanisms capable of producing the effect and its relationship to multiple characteristics of a material. Transition metal oxides (TMOs) have been of particular interest for ongoing research into magnetic phenomenon due to the abundance of interesting physical phenomena found in member systems such as colossal magnetoresistance, skyrmion formation, and interface-driven 2D electron gases. Thin films introduce an additional thickness-dependent element, where reduction below a critical thickness eliminates the magnetic coherence of a system and FM order is lost. The atomic structure of these …

Floodplain Forests Vegetation Dynamics Driven By Water Deficits Across Scales, Nga Thanh Nguyen

LSU Doctoral Dissertations

Restoration of floodplain ecosystems relies on identifying the most crucial hydrologic process which has been altered by human and climate. Flooding is a well-known dominant hydrologic process for floodplain ecosystems, but surprisingly little is known about drought's role in structuring ecosystems. In addition, several issues remained uncertain, such as the nature of drought within floodplains and the sensitivity of floodplain species-specific growth to climate. These gaps of understanding have in common in missing observations of mechanistic pathways of vegetation response to water deficits at multiple scales in time and space.Generally, this research contributed to floodplain management by expanding our understanding …