Physical Sciences and Mathematics Commons^™

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 …

Optimal Design Problems With State Constraints, Nha Van Tran

LSU Doctoral Dissertations

This thesis focuses on constrained optimization problems with constraints on the state variables. When the constraints involve partial differential equations or variational inequalities, the optimization problem is also known as Mathematical Programs with Equilibrium Constraints. First, we applied active-set properties of optimal solutions to transform variational inequality constraints into partial differential equation constraints and devised an active-set method which allowed us to solve the optimization problems using the adjoint approach. We extended our approach to evolution problems with constraints on the trajectory of the state variable, such as the irreversibility condition in fracture mechanics. We implemented a gradient descent algorithm …

3-Dimensional Structural Determination Of Epidermal Growth Factor-Like Repeat 27 From Mouse Notch1 Using Nuclear Magnetic Resonance Spectroscopy, Justin Grennell

LSU Doctoral Dissertations

NOTCH1 has been associated with a variety of human ailments, such as cancer and heart disease. NOTCH1 is a transmembrane protein that contains 36 epidermal growth factor-like (EGF) repeats, which facilitate cell signaling by binding proteins on neighboring cells. Each repeat contains about 40 amino acids and has to be folded in a specific manner to function properly. The amino acid sequence, carbohydrate pattern, and calcium-binding sites of EGF-like repeats vary, but the pattern along the 36-repeat chain is conserved. The Abruptex region (EGF24-29) of NOTCH1 is a highly glycosylated (having undergone sugar addition) and flexible region, which gained its …

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 …

Assessing Mangrove Wetland Structure And Function Regulated By Environmental Gradients Under Climate Change And Increasing Human Impacts: A Modeling Approach, Xiaochen Zhao

LSU Doctoral Dissertations

Mangroves are blue-carbon-rich wetlands that can potentially contribute to climate change mitigation policies. However, mangroves are increasingly impacted by both natural and human disturbances worldwide that require restoration and rehabilitation programs to advance their conservation. Yet, there are major knowledge gaps in our understanding of how local resources (nutrients), regulators (e.g., salinity) and hydroperiod gradients interact in controlling mangrove role as carbon sink or source at different spatiotemporal scales under increasing disturbance frequency and climate change.

Here, I developed a mass-balance-based hydrology model to estimate soil porewater salinity (PWS) in riverine mangroves along the Shark River estuary (SRE), South Florida; …

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 …

Colloidal Nanomaterial Surface Chemistry And Characterization Studied By Linear And Nonlinear Spectroscopy, Asela Sampath Dikkumbura

LSU Doctoral Dissertations

Recent studies have demonstrated the use of nanomaterials such as metallic nanoparticles, liposomes, and polymer microparticles for biomedical applications, encompassing the field of nanomedicine. For developing novel core-shell metallic nanoparticles with controlled surface morphology, the in situ growth dynamics of colloidal silver-gold core-shell (Ag@Au CS) nanoparticles (NPs) in water are monitored in a stepwise synthesis approach using time-dependent second harmonic generation (SHG) and extinction spectroscopy. Transmission electron microscopy images show that the CS NP surface morphology becomes more smooth and uniform as the reaction proceeds, corresponding to lower, stable SHG signals and narrower plasmonic spectra that are compared to finite-difference …

Classifying Soft X-Ray Objects In The Galactic Bulge, Joshua D. Wetuski

LSU Doctoral Dissertations

The Galactic Bulge Survey (GBS) is a broad and shallow X-ray survey designed to detect quiescent X-ray binary systems in the direction of the Milky Way bulge, which include objects such as low-mass X-ray binaries, cataclysmic variables, and symbiotic binaries. LMXBs can provide constraints to the neutron star equation of state and symbiotic systems and are likely progenitors of double white dwarf systems which are themselves candidate progenitors to type Ia supernova. We seek to improve identification and classification of optical counterparts to GBS in several ways. By improving upon the original GBS, an updated catalog was created to help …

Rigid Connections On The Projective Line With Elliptic Toral Singularities, Alisina Azhang

LSU Doctoral Dissertations

We generalize two studies of rigid $G$-connections on $\pp$ which have an irregular singularity at origin and a regular singularity at infinity with unipotent monodromy: one is the work of Kamgarpour-Sage which classifies rigid homogeneous Coxeter $G$-connections with slope $\frac{r}{h}$, where $h$ is the Coxeter number of $G$, and the other is the work of Chen, which proves the existence of rigid homogeneous elliptic regular $G$-connections with slope $\frac{1}{m}$, where $m$ is an elliptic number for $G$. In our work, similar to Chen, we look for rigid homogeneous elliptic regular $G$-connections, but we allow the slope to have a numerator …

Electromagnetic Transitions And Beta Decays In Nuclei From The Ab Initio Symmetry-Adapted No-Core Shell Model, Grigor Sargsyan

LSU Doctoral Dissertations

Nuclear physics today is a diverse field, involving research that extends from the minus- cule scales of neutrons and protons to the colossal dimensions of astrophysical objects in the universe. And since the ab initio methods in nuclear physics use realistic internucleon interactions, nuclear modeling has gained predictive capabilities that enable us to probe ever more deeply into the fundamental nature of matter. One of these models – the symmetry- adapted no-core shell model (SA-NCSM) – is capable of reaching the medium-mass region of the chart of the nuclides, by exploiting the emergent symmetries of nuclei, and is therefore well-suited …

Laser Surface Treatment And Laser Powder Bed Fusion Additive Manufacturing Study Using Custom Designed 3d Printer And The Application Of Machine Learning In Materials Science, Hao Wen

LSU Doctoral Dissertations

Selective Laser Melting (SLM) is a laser powder bed fusion (L-PBF) based additive manufacturing (AM) method, which uses a laser beam to melt the selected areas of the metal powder bed. A customized SLM 3D printer that can handle a small quantity of metal powders was built in the lab to achieve versatile research purposes. The hardware design, electrical diagrams, and software functions are introduced in Chapter 2. Several laser surface engineering and SLM experiments were conducted using this customized machine which showed the functionality of the machine and some prospective fields that this machine can be utilized. Chapter 3 …

Effects Of Structure, Crystallographic Orientation, And Dimensionality On Emergent Properties Of Transition Metal Oxide Thin Films, Prahald Siwakoti

LSU Doctoral Dissertations

SrRuO₃ is the only example of ferromagnetic perovskite oxide of a 4d transition metal, wherein the electron -electron correlation is still relevant while the heavier 4d ion (Ru) gives it a larger spin-orbit coupling strength which makes it an interesting material to study. In this thesis, we present our investigation of the structure and properties of SrRuO₃ thin films of varying thickness grown on [001] and [111] crystallographic orientation of the SrTiO3 substrate. For SrRuO₃(001), we present microscopically the presence of 90◦ in-plane rotated structural domains that are identified by the difference in octahedral rotations and …

Indicators Of Senescence And Their Relationship With The Antioxidant Response Element In Ovarian Cancer Cells—Toward A More Encompassing View Of Enzyme Activity Levels In Cells, Shaniqua Analycia Hayes

LSU Doctoral Dissertations

Enzymes and other related proteins are promising targets as biomarkers for cancer diagnostics, and it is therefore important to be able to quantify intracellular enzyme activity levels, not just presence of enzyme. Thus, there is a great need for the development of methods that offer spatiotemporal quantification of intracellular enzyme activity levels in respiring 2- and 3-dimensional cultures or their sample-processed variants. Previous studies have demonstrated that ß-gal is upregulated in senescence and in select ovarian cancers, and its expression/activity is upregulated when cells are under oxidative stress conditions. To that end, the primary goal of this work was to …

Learning To Interpret Fluid Type Phenomena Via Images, Simron Thapa

LSU Doctoral Dissertations

Learning to interpret fluid-type phenomena via images is a long-standing challenging problem in computer vision. The problem becomes even more challenging when the fluid medium is highly dynamic and refractive due to its transparent nature. Here, we consider imaging through such refractive fluid media like water and air. For water, we design novel supervised learning-based algorithms to recover its 3D surface as well as the highly distorted underground patterns. For air, we design a state-of-the-art unsupervised learning algorithm to predict the distortion-free image given a short sequence of turbulent images. Specifically, we design a deep neural network that estimates the …

Palynology And Paleoclimatology Of The Chicxulub Impact Crater In The Early Paleogene, Vann Smith

LSU Doctoral Dissertations

At the end of the Cretaceous Period, a large bolide impacted the Earth and formed the Chicxulub impact crater in the Yucatán Peninsula, Mexico. In 2016, International Ocean Discovery Program (IODP) Expedition 364 Site M0077 drilled into the buried peak ring of the crater, recovering a marine Paleocene to early Eocene post-impact section deposited on top of the impact breccia. Palynological analysis of 195 samples from the post-impact section has yielded the first pre-Holocene vegetational record from inside the Chicxulub impact crater and the first palynological record of the recovery of life following the end-Cretaceous mass extinction from inside the …

Algorithms Related To Triangle Groups, Bao The Pham

LSU Doctoral Dissertations

Given a finite index subgroup of $\PSL_2(\Z)$, one can talk about the different properties of this subgroup. These properties have been studied extensively in an attempt to classify these subgroups. Tim Hsu created an algorithm to determine whether a subgroup is a congruence subgroup by using permutations \cite{hsu}. Lang, Lim, and Tan also created an algorithm to determine if a subgroup is a congruence subgroup by using Farey Symbols \cite{llt}. Sebbar classified torsion-free congruence subgroups of genus 0 \cite{sebbar}. Pauli and Cummins computed and tabulated all congruence subgroups of genus less than 24 \cite{ps}. However, there are still some problems …

Computer Simulations Of Diffusional Isotope Effects And Dynamical Properties Of Silicate Melts, Haiyang Luo

LSU Doctoral Dissertations

Silicate melts have served as transport agents in the chemical and thermal evolution of Earth. Diffusional isotope effect in silicate melts is the key to interpret isotope variations in lots of geological samples. Isotopic mass dependence of diffusion is commonly expressed as (Di/Dj)=(mj/mi)^β, where Di and Dj are diffusion coefficients of two isotopes whose masses are mi and mj. However, how the dimensionless empirical parameter β depends on temperature, pressure, and composition remains poorly constrained. Viscosity and electrical conductivity are two fundamental dynamical properties of silicate melts needed to constrain melt distribution in Earth's interior but remain unclear for most …

Effect Of Forage Management Strategies And Land Use Change On Nitrogen Budget And Soil Health Parameters In Pasture Systems, Yili Meng

LSU Doctoral Dissertations

Pastures produce hay for livestock, and they conserve soil, water, and air resources. However, high nitrogen (N) fertilizer demands in pasture production have significant implication on greenhouse gas emission and environmental pollution. Appropriate forage management strategies can reduce environmental N loss and improve soil health, to enhance the long-term pasture productivity. Therefore, this study was carried out to investigate the effects of management strategies on N budgets and soil health parameters in subtropical pastures. Both field and laboratory experiments were conducted to evaluate the effects of N stabilizers including urease inhibitor and nitrification inhibitor on pasture yield, greenhouse gas emission, …

Numerical And Field Study Of Tidal And Subtidal Dynamics In A Bar-Built Estuary: Barataria Bay, Gulf Of Mexico, Ali Reza Payandeh

LSU Doctoral Dissertations

This study investigated tidal and subtidal dynamics of water level, currents, and suspended sediment concentration (SSC) in Barataria Bay, a shallow bar-built estuary of the Northern Gulf of Mexico. First, the local and remote wind forcing contribution on subtidal water level and current variability were examined using three different methods: (i) statistical analysis of observed data, (ii) an analytical model and (iii) a 2-D barotropic numerical model. Results suggested that the remote and local wind effects were equally important at the bay mouth, however local winds were the dominant forcing driver inside the bay. The amplitudes of subtidal fluctuations induced …