Mechanics of Materials Commons^™

Design Of Multi-Principal Element Materials Using A Combination Of First-Principles Calculations And Machine Learning, Zhaohan Zhang

McKelvey School of Engineering Graduate Student Theses & Dissertations

Multiple-principal element materials, including alloys (MPEAs), oxides and other compounds combine several elements on a sub-lattice, which increases the configurational entropy and contributes to their thermodynamic stability. The vast combinatorial design space of multi-principal element materials gives rise to diverse microstructures and unprecedent combination of properties. It also poses a challenge—how to rapidly screen MPEAs with stability and properties for targeted applications. Furthermore, fundamental composition-structure-property relationships in MPEAs are currently missing. In this dissertation, I have used MPEAs as a representative system and investigated the role of chemical composition on their phase-stability and mechanical properties. With a combination of first-principles …

Pressure-Induced Phase Transition And Electronic Structure Changes In Equiatomic Fev, Homero Reyes Pulido

Open Access Theses & Dissertations

Classical molecular dynamics methods can accurately describe a broad set of many-atomssystems. Although more economical, the results given by this framework lack the precision capable of density functional theory (DFT). Therefore, the structural stability of the B2 phase of a body-centered-cubic iron-vanadium (FeV) alloy using DFT on the electronic structure level is analyzed to verify and further explain classical results obtained by our group in this same alloy. Using Quantum Espresso and Phonopy for the computational simulations, the plotted band structure, electronic density of states (eDOS), phonon dispersions, charge density, and Fermi surfaces for various compressed unit cells are presented. …

Suitability Of Low-Cost Additive Manufacturing For Polymer Electrolyte Fuel Cells, David Alexander

Open Access Theses & Dissertations

The purpose of this dissertation is to study the feasibility of low-cost additive manufacturing to fabricate polymer electrolyte fuel cell bipolar plate materials. Traditional manufacturing techniques include molding, milling, hollow embossing, hydro-forming, rolling, and electromagnetic forming. These processes are employed when a design has been selected due to higher costs at low volumes. The combination of high initial costs and bipolar plates being the most expensive component of the polymer electrolyte fuel cell creates incentive to mitigate this obstacle. The feasibility of low-cost additive manufactured bipolar plates will be proven by fabrication, post-processing, and characterization of printed test specimen. The …

Rational Design Of Composite Nanomaterials For Water Treatment Applications, Mariana Marcos-Hernandez

Open Access Theses & Dissertations

Water quantity and quality have been affected in communities all around the world due to population growth, pollution, changes in land use, and climate change. In order to cope with existing and anticipated water demands and shortages, the use of treated or reclaimed water is an ongoing alternative that has helped communities all over the world address this problem. The adaptation of nanotechnology to traditional water and wastewater treatment processes offers new opportunities in technological developments. Unique size-dependent properties such as: high surface to mass ratio, high reactivity, high sorption capacities, fast dissolution, superparamagnetism, among others, provide high-tech efficient materials …

Evolution Of The Magnetic Properties On Van Der Waals Layered Magnets Via Pressure And Proton Irradiation, Rubyann Olmos

Open Access Theses & Dissertations

Probing the magnetism in quasi two-dimensional materials has the potential in driving their properties towards future use in spin electronic based devices. Studying such layered magnets will enable the scientific community to uncover tunable exotic phases such as superconductivity, quantum paramagnetism, etc. This work examines the influence of two types of external perturbations, namely, the pressure and proton irradiation, on the magnetic properties of several compounds in the van der Waals crystal family.

Pressure has been found to induce structural and magnetic phase transitions in many of these materials. Using hydrostatic pressure as a disorderless approach to manipulate the interlayer …

Material Synthesis And Machine Learning For Additive Manufacturing, Jaime Eduardo Regis

Open Access Theses & Dissertations

The goal of this research was to address three key challenges in additive manufacturing (AM), the need for feedstock material, minimal end-use fabrication from lack of functionality in commercially available materials, and the need for qualification and property prediction in printed structures. The near ultraviolet-light assisted green reduction of graphene oxide through L-ascorbic acid was studied with to address the issue of low part strength in additively manufactured parts by providing a functional filler that can strengthen the polymer matrix. The synthesis of self-healing epoxy vitrimers was done to adapt high strength materials with recyclable properties for compatibility with AM …

Rational Design Of Multifunctional Nanocatalysts For Environmental Remediation And Energy Conversion Technologies, Md Ariful Ahsan

Open Access Theses & Dissertations

The discovery of efficient and sustainable carbon-based nanotechnologies to solve both the scarcity of drinking water and global energy crisis has become a paramount task in the last decades. Owed to the fast population growth and industrialization of the modern society, access to potable water and clean energy technologies is becoming very hard around the globe. Water pollutants have become a serious threat to the environment and ecology because of their toxic nature. Parallelly, the current hydrocarbon-based fuel industries are generating high levels of contamination across the planet, making imperative the development of cleaner energy technologies. In this regard, the …

Synthesis, Characterization, And Direct-Ink-Writing Of Syntactic Foams, Andrea Irigoyen

Open Access Theses & Dissertations

This project encompasses three different methods to fabricate syntactic foams using a PDMS matrix i.e., hollow spheres inclusion, pore generator leaching by solvent, and emulsion. The foam formation by using polysiloxane hollow spheres is done in a 3-step process. The first step is to create a core of polystyrene following a dispersion polymerization process. The goal for the size of the pore is to monodisperse and have an average diameter of 5-10 μm, so the polystyrene core must be as well within that range. After that, the cores are coated with a polysiloxane shell by following a polymerization by condensation …

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. …

Magnesiothermic Combustion Synthesis Of Nanocrystalline Silicon And Oxidation Kinetics Of Magnesium Particles, Sergio Cordova

Open Access Theses & Dissertations

Magnesium (Mg) is a well-known reduction agent in metallurgy (more specifically, in metallothermy). Recently, magnesiothermic reduction of oxides has been used in self-propagating high-temperature synThesis (SHS) of advanced materials such as ultrahigh-temperature ceramics (UHTC). The magnesiothermic SHS has also been used for the conversion of silica (SiO2) to silicon-based materials for thermoelectric applications. However, since oxidation of Mg releases a lot of heat, the direct use of it as the reduction agent leads to excessively high temperatures and undesirable sintering of the products. We have proposed to use magnesium silicide (Mg2Si) instead of Mg in the SHS of nanostructured silicon. …

Investigation And Statistical Modeling Of The Mechanical Properties Of Additively Manufactured Lattices, Derek G. Spear, Anthony N. Palazotto

Faculty Publications

This paper describes the background, test methodology, and experimental results associated with the testing and analysis of quasi-static compression testing of additively manufactured open-cell lattice structures. The study aims to examine the effect of lattice topology, cell size, cell density, and surface thickness on the mechanical properties of lattice structures. Three lattice designs were chosen, the Diamond, I-WP, and Primitive Triply Periodic Minimal Surfaces (TPMSs). Uniaxial compression tests were conducted for every combination of the three lattice designs, three cell sizes, three cell densities, and three surface thicknesses. In order to perform an efficient experiment and gain the most information …

Phase-Field Modeling Of The Polymer Membrane Formation Process For Micro- And Ultra-Filtration, Michael Rosario Cervellere

Graduate Theses and Dissertations

Porous polymer membrane filters are widely used in separation and filtration process. Micro- and ultra-filtration membranes are commonly used in biopharmaceutical applications such as filtering viruses and separating proteins from a carrier solution. The formation of these membrane filters via phase inversion is a complex and interconnected process where varying casting conditions can have a wide variety of effects on the final membrane morphol- ogy. Tailoring membrane filters for specific performance characteristics is a tedious and time consuming process. The time and length scales of membrane formation make it extremely difficult to experimentally observe membrane formation. Modeling the membrane formation …

Electrochemical Deposition In Energy Storage Devices, Witness Atutala Martin

Graduate Theses and Dissertations

Metals, whether in a solid or soluble ion form, are a vital part of any electrochemical storage system. More so, Li metal is widely considered as the ideal anode because of its low density and low electrochemical potential (-3.04 V vs. the standard hydrogen electrode – SHE). However, just like most metals, it does not plate or strip evenly during cycling which can lead to cycling performance issues, short cycling lifespans, and even safety concerns brought about by dendrites that can cause internal short-circuiting within cells. This research focused on investigating the electroplating of metals in both aqueous and non-aqueous …

Characterization Of Landslide Processes From Radar Remote Sensing And Hydromechanical Modeling, Yuankun Xu

Earth Sciences Theses and Dissertations

Landsides are a natural geomorphic process yet a dangerous hazard which annually causes thousands of casualties and billions of property loss in a global scale. Understanding landslide motion kinematics from early initiation to final deposition is critical for monitoring, assessing, and forecasting landslide movement in order to mitigate their hazards. Landslides occur under diverse environmental settings and appear in variable types; however, all types of landslides can be mechanically attributed to shearing failure at the basal surface due to stress regime shift contributed by internal and/or external forcing. Typical internal factors include soil/rock weathering, whereas typical external triggering forces encompass …

Aerosol Vapor Synthesis Of Organic Processable Pedot Particles And Measuring Electric Conductivity Using A 3d Printed Probe Station, Yang Lu

McKelvey School of Engineering Graduate Student Theses & Dissertations

Conducting polymers are organic semiconductors characterized by conjugated backbones (alternating single-double bonds) that enable mixed ionic-electronic conductivity. Their polymeric nature, tunable band structure and reversible redox capability have demonstrated fundamental advances in the fields ranging from electrochemical energy storage, sensing, to electro/photo catalysis and neuromorphic engineering. Conjugated backbones, the origin of all the unique physical and chemical properties associated with conducting polymers, prevent their solubility due to high lattice energy which hinders processing. Current solution utilizes a long-chain polymer (PSS) as dopants to render conducting polymer water dispersible (PEDOT:PSS). Nonetheless, PSS is highly acidic and hydrophilic limiting applicability with acid-incompatible …

Modeling Hydraulic Fracturing Initiation And Propagation In Porous Rock Formationsl, Chang Huang

LSU Doctoral Dissertations

Hydraulic fracturing has long been introduced to the oil and gas industry since the early nineteenth century for both reservoir characterization and reservoir stimulation. Despite the progress made in the last two decades, many challenges still have not been tackled regarding not only the propagation problem but also the initiation problem due to its complexity. The dissertation is divided into two stages, i.e., before and after fracture initiation. The first stage of the research aimed at improving the accuracy in solving the poro-mechanical response of wellbore during fluid injection before a tensile fracture occurs, which is crucial to determine the …

High Frequency Electron Spin Resonance Investigations On Quasi-Two-Dimensional Chromium Halide Magnets, Christian Saiz

Open Access Theses & Dissertations

Broadening the knowledge and understanding on the magnetic correlations in van der Waals layered magnets is critical in realizing their potential next-generation applications in devices such as spintronics. In this study, we employ high frequency (ν = 120 GHz, 240 GHz) electron spin resonance (ESR) spectroscopy on plate-like CrX3 (where X = Cl, Br, I) to gain insight into the magnetic interactions as a function of temperature (200 – 4.4 K) and the angle of rotation θ (degrees). We find that the temperature dependence of the ESR linewidth is well described by the Ginzburg-Landau critical model, indicative of antiferromagnetic correlations …

Synthesis And Characterization Of Functiona Materials For 3d Printed Composites, Elizabeth Irene Reza

Open Access Theses & Dissertations

The following body of work encompasses the synThesis, upscaling, additive manufacturing, and characterization of microspheres as functional fillers incorporated into polymer syntactic foams. Synthesizing microspheres permits control over morphology, dispersion of particles, and size while the use of direct write manufacturing allowed for the controllability of filler orientation. Two different syntactic foams were developed from similar methodologies: (1) a silicone syntactic foam (2) epoxy syntactic foam. The silicone epoxy foam showed an increasing in damping and elastic modulus. The epoxy syntactic foams showed an enhanced thermal and electrical properties.

Mechanical Behavior Of Cyclo-18 On Nickel And Copper Substrates, Reagan Michael Kraft

Mechanical Engineering Undergraduate Honors Theses

Carbyne, an -hybridized allotrope of carbon, has been the subject of many studies recently due to its incredible mechanical properties and small size. More recently, another -hybridized allotrope known as cyclo-18, has gained interest. In this study, computational molecular dynamics will be used to determine the mechanical properties of cyclo-18. Peeling and shearing tests of the molecule will be conducted on nickel and copper, which are respectively active and less-active transition metals. Additionally, a carbyne chain of equal length will undergo the same tests on the copper substrate to compare the mechanical properties of the two. The results conclude that …

A Study Of The Frustrated Honeycomb Battery Material Na2ni2teo6, Nathan Christopher Episcopo

Open Access Theses & Dissertations

The P2-type layered hexagonal compound Na2Ni2TeO6 with Ni2+ on a honeycomb lattice was synthesized by the standard solid-state route. Structural characterization chemical phase purity was confirmed by Rietveld refinement of laboratory and synchrotron data. The crystal structure refines well in the P63/mcm space group. Single crystal growth trials using the self-flux-melt method were conducted with limited success. The magnetic transition temperature pertaining to Ni2+ lattice was confirmed by analysis of specific heat capacity to be . The magnetic susceptibility remains largely unchanged in magnetic field of and external pressure of . There is an almost linear response in isothermal magnetization …

Dynamics Of Discontinuities In Elastic Solids, Arkadi Berezovski, Mihhail Berezovski

Publications

The paper is devoted to evolving discontinuities in elastic solids. A discontinuity is represented as a singular set of material points. Evolution of a discontinuity is driven by the configurational force acting at such a set. The main attention is paid to the determination of the velocity of a propagating discontinuity. Martensitic phase transition fronts and brittle cracks are considered as representative examples.

First-Principles Studies Of Anion Engineering In Functional Ceramics, Steven Timothy Hartman

McKelvey School of Engineering Graduate Student Theses & Dissertations

Ceramic materials display a wide variety of valuable properties, such as ferroelectricity, superconductivity, and magnetic ordering, due to the partially covalent bonds which connect the cations and anions. While many breakthroughs have been made by mixing multiple cations on a sublattice, the equivalent mixed-anion ceramics have not received nearly as much attention, despite the key role the anion plays in the materials’ properties. There is great potential for functional ceramics design using anion engineering, which aims to tune the materials properties by adding and removing different types of anions in existing classes of ceramic materials. In this dissertation, I present …

Development Of Software Tools And Experimental In Situ Electron Spin Resonance For Characterizing The Magnetic And Electrocatalytic Properties Of Transition Metal Chalcogenide Crystals, Jose Armando Delgado

Open Access Theses & Dissertations

Studying the magnetic properties and crystal defects of transition metal chalcogenide crystals is of paramount importance for utilizing them for next generation spintronics devices and hydrogen evolution reaction catalysts. Hydrothermally grown transition metal chalcogenide nanocrystals (MoS2, Ru2S3, Rh2S3, Co2S8) were chosen as catalysts for the hydrogen evolution reaction due to their low dimensionality and previous utilization as catalysts for hydrodesulfurization. The relationship between crystal defect sites and catalytic activity must be discerned to maximize the efficiency of hydrogen production during the hydrogen evolution reaction. ESR spectroscopy was utilized as a spin sensitive technique to study the defects and local changes …

Ideal Lacrosse Stick, Josh Beck, Tyler Skoloda, Noah Reed, Stanley Dembosky

Williams Honors College, Honors Research Projects

This project is focused on the design of a new and innovative lacrosse stick. Our main points of focus will be the strength and durability of the head. As well as solving some of the problems that exist in existing equipment. These problems were identified by interviewing experienced players at the college level. Benefits would include a stronger head that is easier to use for a player on the field to do things like pass, catch, shoot, and field ground balls in an optimal manner. Normally players will have to purchase new heads every season as a result of warping …

Investigation Of Iron Doped Gallium Oxide (Ga-Fe-O) System: Structure Property Relationship And Performance Evaluation For Optical And Catalytic Applications, Swadipta Roy

Open Access Theses & Dissertations

From September 2012 to May 2015, a phenocam monitored the seaward edge of a protected mangrove forest. Calculated GCC revealed seasonal greening patterns of a mangrove species, Rhizophoa apiculata, and an overall increase in the GCC, suggesting mangrove expansion. In comparing temperature and precipitation effects, it was found that this particular mangrove species had a greening optima at temperatures between 28°C and 28.5°C, and greening and canopy development response lag time of 10 weeks in response to precipitation. Tree saplings were monitored and showed to grow by 50%, mostly during a three month period during the rainy season. The establishment …

General Nonlinear-Material Elasticity In Classical One-Dimensional Solid Mechanics, Ronald Joseph Giardina Jr

LSU New Orleans Theses and Dissertations

We will create a class of generalized ellipses and explore their ability to define a distance on a space and generate continuous, periodic functions. Connections between these continuous, periodic functions and the generalizations of trigonometric functions known in the literature shall be established along with connections between these generalized ellipses and some spectrahedral projections onto the plane, more specifically the well-known multifocal ellipses. The superellipse, or Lam\'{e} curve, will be a special case of the generalized ellipse. Applications of these generalized ellipses shall be explored with regards to some one-dimensional systems of classical mechanics. We will adopt the Ramberg-Osgood relation …

Investigation Of Fundamental Principles Of Rigid Body Impact Mechanics, Khalid Alluhydan

Mechanical Engineering Research Theses and Dissertations

In impact mechanics, the collision between two or more bodies is a common, yet a very challenging problem. Producing analytical solutions that can predict the post-collision motion of the colliding bodies require consistent modeling of the dynamics of the colliding bodies. This dissertation presents a new method for solving the two and multibody impact problems that can be used to predict the post-collision motion of the colliding bodies. Also, we solve the rigid body collision problem of planar kinematic chains with multiple contacts with external surfaces.

In the first part of this dissertation, we study planar collisions of Balls and …

Defect Chemistry And Ion Intercalation During The Growth And Solid-State Transformation Of Metal Halide Nanocrystals, Bo Yin

McKelvey School of Engineering Graduate Student Theses & Dissertations

Abstract of the Dissertation

Defect Chemistry and Ion Intercalation During the Growth and Solid-State Transformation of Metal Halide Nanocrystals

Semiconductor metal halides as light-sensitive materials have applications in multiple areas, such as photographic film, antibacterial agents and photocatalysts. One focus of this dissertation is to achieve novel morphologies of ternary silver bromoiodide (AgBr1-xIx, 0

For the silver halide system, we demonstrate that the anion composition of AgBr1-xIx nanocrystals determines their shape through the introduction of twin defects as the nanocrystals are made more iodide-rich. AgBr1-xIx nanocrystals grow as single-phase, solid solutions with the rock salt crystal structure for anions compositions …

Transferring Power Through A Magnetic Couple, Nickolas Cruz Villalobos Jr.

Senior Theses

Properties of several working magnetic coupled rotors have been measured and their performance compared to theoretical models. Axial magnetic couplers allow rotors to work within harsh environments, without the need for seals, proper alignment, or overload protection on a motor. The influence of geometrical parameters, such as distance from the center of the rotors, polarity arrangement, and the number of dipole pairs were experimentally tested. These results can be used to improve rotor designs, to increase strength and efficiency.

Predicting The Mechanical Properties Of Nanocomposites Reinforced With 1-D, 2-D And 3-D Nanomaterials, Scott Edward Muller

Graduate Theses and Dissertations

Materials with features at the nanoscale can provide unique mechanical properties and increased functionality when included as part of a nanocomposite. This dissertation utilizes computational methods at multiple scales, including molecular dynamics (MD) and density functional theory (DFT), and the coupled atomistic and discrete dislocation multiscale method (CADD), to predict the mechanical properties of nanocomposites possessing nanomaterials that are either 1-D (carbyne chains), 2-D (graphene sheets), or 3-D (Al/amorphous-Si core-shell nanorod).

The MD method is used to model Ni-graphene nanocomposites. The strength of a Ni-graphene nanocomposite is found to improve by increasing the gap between the graphene sheet and a …