Engineering Science and Materials Commons^™

Hierarchical Structure And Material Integration For Electrocatalytic Co2 Reduction, Hamed Mehrabi

Graduate Theses and Dissertations

CO2 released by the combustion of fossil fuels is driving significant changes to the earth’sclimate. The natural cycle for removing CO2 from the atmosphere, namely photosynthesis, cannot keep up with the rate at which it is being added. Developing engineering approaches to remove CO2 from the atmosphere is becoming essential to reduce these effects. Removal leads to further issues of carbon sequestration and favorable CO2 reuse strategies, including the electrochemical transformation of recovered CO2 to useful products such as fuels and materials. Copper is an important electrocatalyst for the CO2 reduction reaction (CO2RR) because of its unique capability for producing …

Study Of Thermoelectric And Lattice Dynamics Properties Of 2d Layered Mx (M = Sn, Pb; X = S, Se, Te) And Zrs2 Compounds Using First-Principles Approach, Abhiyan Pandit

Graduate Theses and Dissertations

The aim of this dissertation is the investigation of thermoelectric and lattice dynamics properties of two-dimensional (2D) MX (M = Sn, Pb; X = S, Se, Te) and ZrS2 compounds based on the first-principles density functional theory. The dimensionality reduction (e.g., using 2D structure) of bulk materials is found to have enhanced thermoelectric efficiency. This enhancement is attributed to the increase of the Seebeck coefficient as a result of higher electronic density of states near the Fermi level in low-dimensional materials. In addition, lowering the dimensionality increases phonon scattering near interfaces and surfaces in 2D materials, which leads to a …

Etching Process Development For Sic Cmos, Weston Reed Renfrow

Graduate Theses and Dissertations

Silicon Carbide (SiC) is an exciting material that is growing in popularity for having qualities that make it a helpful semiconductor in extreme environments where silicon devices fail. The development of a SiC CMOS is in its infancy. There are many improvements that need to be made to develop this technology further. Photolithography is the most significant bottleneck in the etching process; it was studied and improved upon. Etching SiC can be a challenge with its reinforced crystal structure. Chlorine-based inductively coupled plasma (ICP) etching of intrinsic SiC and doped SiC, SiO2, and Silicon has been studied. A baseline chlorine …

Crystal Growth And Property Tuning Of Layered Magnetic Topological Semimetals, Krishna Pandey

Graduate Theses and Dissertations

The demand for energy-efficient devices has been growing rapidly due to the need for data-driven technologies and the global energy crisis. As device size approaches the atomic scale, the miniaturization of electronic devices may stop in the near future unless fundamentally new materials or device concepts are developed. The emergent topological materials with exotic properties show remarkable robustness against crystal lattice defects, which are promising for next-generation technology. These materials host exotic properties such as high mobility, large magnetoresistance, chiral anomaly, and surface Fermi arcs, etc. Among various topological materials, the ZrSiS-family materials exhibit two types of Dirac states, which …

Understanding The Chemical Structures Of Polydopamine, Deborah Takyibea Okyere

Graduate Theses and Dissertations

Polydopamine (PDA) is described as a bioinspired polymer produced by a method involving the chemical oxidation of dopamine in a pH-dependent medium. It has been used for the functionalization of nanomaterials in diverse applications including drug delivery and biosensing because of its strong adhesiveness, functionality is easily modified, and biocompatibility with mammalian cells and tissues. The polymerization process is believed to be initiated by the autoxidation of dopamine to dopaminequinone. However, the repeating units, as well as the final structure of PDA, are not well understood. Hence, this work focuses on the characterizations of the PDA structures during formation and …

Development Of Novel Battery Materials For Lithium-Ion Batteries And Beyond, Jiyu Cai

Graduate Theses and Dissertations

As fossil fuels are depleting and causing environmental issues, it becomes imperative to widely implement renewable energies (e.g., solar and wind power). In this context, electrical energy storage (EES) systems are essential to accommodate the intermittent supply and uneven distribution of renewable energies. To this end, high-energy-density EES devices are highly demanded, such as rechargeable batteries. This dissertation presents my efforts in developing novel battery materials for lithium-ion batteries (LIBs), sodium-ion batteries (SIBs), and solidstate lithium batteries (SSLBs). These efforts include electrochemical evaluations of battery materials, surface modifications of electrodes via atomic layer deposition (ALD), and advanced characterizations of batteries …

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 …

Influence Of Extracellular Matrix Stiffness And Topography On Neuronal Cell Behavior And Neurite Outgrowth, Mohan Yasodharababu

Graduate Theses and Dissertations

The focus of regeneration therapy for traumatic brain injuries and Alzheimer's disease is on the promotion and growth of neuronal cells. In vitro research attempts to improve this by modifying the stiffness and topography of the extracellular matrix (ECM). However, the limitations of in vitro experiments make it difficult to control the individual factors influencing neuronal cell growth. A computational model can be used to decouple individual factors and study them individually to gain a better understanding of the mechanics between the neuronal cell and ECM, which will aid in the design of in vitro experimental studies.

This study develops …

A Computational Study Of Radiation Damage In Bilayer Silicon-Gold Structures, Cameron Hopper

Graduate Theses and Dissertations

Irradiation from sources such as nuclear reactors bombard materials with neutrons and heavy ions. The primary consequence of this irradiation is the displacement of atoms from their atomic structure. As the structure becomes damaged, the mechanical properties can change. Eventually, this can result in a failure due to embrittlement. This type of damage is hard to detect and can result in sudden, unexpected failure. Therefore, focusing on managing the consequences of irradiation has been a heavily researched topic. To manage irradiation, the focus is primarily to manage the voids and interstitials that appear during irradiation. Grain boundaries and amorphous regions …

Optimization Of Vaccine Supply Chains In Low- And Middle-Income Countries Utilizing Drones, Maximilian Kolter

Graduate Theses and Dissertations

Despite tremendous efforts from governments and humanitarian organizations, millions of children in low- and low-middle-income countries (LICs and LMICs) are still excluded from the benefits of immunization. The vaccine distribution in LICs and LMICs is challenging for several reasons, such as limited cold chain capacities, vaccine wastage, uncertain demand, and lack of access to immunization services. A promising avenue to address these issues is the utilization of drones for vaccine delivery. Drones can fly at high speed on direct paths and could enable on-demand deliveries to mitigate limited storage capacities. Further, their independence of road networks could allow them reaching …

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 …

Study Of Static And Dynamical Properties Of Complex Antiferroelectrics Materials, Kinnary Yogeshbhai Patel

Graduate Theses and Dissertations

The aim of this dissertation is the investigation of the static and dynamical properties of the complex antiferroelectric materials using Effective Hamiltonian method and First principles calculations. In chapter 3, a novel elemental interatomic coupling in perovskite materials which bilinearly couples the antiferroelectric displacements of cations with the rotations of the oxygen octahedra. This new coupling explains a very complex crystal structure of prototypical antiferroelectric PbZrO3. My explanation provides a unified description of many other complex antipolar crystal structures in variety of perovskite materials, including the occurrence of incommensurate phases in some of them. In chapter 4, results and analysis …

Adhesion And Deformation Mechanisms Of Polydopamine And Polytetrafluoroethylene: A Multiscale Computational Study, Matthew Brownell

Graduate Theses and Dissertations

Polydopamine (PDA) has been shown to bond via covalent bonding, van der Waals forces, and hydrogen bonding and is known to adhere strongly to almost any material. The application of PDA between a substrate and a PTFE surface coating has resulted in low friction and a greatly reduced wear rate. Previous research probing the capabilities and limitations of PDA/PTFE films have studied the wear and mechanical properties of the film, but the overall adhesive and deformation mechanisms remain unclear.

In this research, we investigate the tribological properties of PDA and PTFE molecules and composites from the atomic to the microscale …

An Investigation Into The Effects Of Fly Ash On Freeze-Thaw Durability Prediction, Yancy Schrader

Graduate Theses and Dissertations

Air is purposefully entrained into concrete primarily to improve resistance to freeze-thaw deterioration while saturated with water. Air entraining admixtures (AEAs) are chemical admixtures designed to entrain air into the concrete to provide adequate resistance to the effects of freezing and thawing. One of the challenges associated with air entrainment in concrete is the interaction of an AEA with supplementary cementitious materials present in the concrete, particularly fly ash. Fly ash is a by-product of the coal fired electrical generation industry, and often contains residual unburned carbon and other components that can increase the AEA demand of a particular concrete …

Leveraging Biomimicry And Additive Manufacturing To Improve Load Transfer In Brittle Materials, Ana Paula Bernardo

Graduate Theses and Dissertations

With the emergence of Additive Manufacturing (i.e., 3D printing) in construction, new strategically designed shapes can be created to improve load transfer through structural members and foundations. Cross-sections can be optimized to carry load using less material, or even using weaker constituent materials, like soils, which are cheap and abundant. The goal of this research is to investigate the benefits of using cellular patterns which leverage biomimicry in civil engineering applications, since nature has perfectly engineered materials and patterns which carry loads with the least amount of material possible. Most of the periodic cellular work to date has focused on …

Comparison Of Additively Manufactured And Wrought 17-4 Ph Stainless Steels In Ultra Low Cycle Fatigue, Timothy Strasser

Graduate Theses and Dissertations

Additive manufacturing (AM) processes allow for creation of complex geometries that are otherwise impractical to fabricate with traditional subtractive methods. AM technology has potential to improve the optimization of seismic lateral force resisting components which dissipate seismic energy through large plastic strains; however, the ultra low-cycle fatigue performance of AM metals are not yet well understood. Void formation during the AM fabrication process has potential to affect performance. This study compares the performance of heat-treated and non-heat-treated AM and wrought 17-4PH stainless steel in Ultra Low Cycle Fatigue. To understand ULCF performance differences between the AM and wrought specimens, post …

Development Of High-Density Propulsion System Technologies For Interplanetary Small Satellites And Cubesats, Morgan Andrew Roddy

Graduate Theses and Dissertations

The goal of this research was to support the development of a novel propulsion system for small satellites (<180 kg) and CubeSats. This was pursued by conducting a collection of studies that were designed to provide engineering data that would be critical in designing a functional prototype. The novel propulsion system was conceived by the author to provide best-in-class performance for the small satellite and CubeSat families of spacecraft. This context presents specific design requirements that the presented technology attempts to satisfy. The most critical among these is high density; the propellant was designed to be stored with high density and the thruster was designed to be as compact as possible. The propulsion system is composed of two primary elements, a propellant generator and a thruster. The propellant generator works by sublimating a solid crystal into vapor and then using this vapor to etch a dense metal. The resulting gaseous byproducts of this reaction are the propellant. This dissertation used xenon difluoride (XeF2) vapor to etch tungsten (W) which react to form xenon gas (Xe) and tungsten hexafluoride (WF6). This approach gave a theoretical propellant storage density 5.40 g/cm3; and 5.17 g/cm3 was demonstrated. The sublimation dynamics of the XeF2 were studied as a function of surface area and temperature and it was found to be suitable for the intended application due to its high effluence rate; that is, it sublimates fast enough to be useful. The sublimation rates are on the order of 10’s of µg/s. The etch rate of XeF2 on W was also studied and found to be suitably fast to provide useful amounts of reactants for use as a propellant, again on the order of 1’s of µg/s. The thruster is an electrostatic radio frequency (RF) ion thruster design and is manufactured with Low Temperature Co-Fired Ceramic (LTCC) materials system and manufacturing technology. Manufacturing samples of the thruster were built at the University of Arkansas in July 2015 and tested at NASA’s Marshall Space Flight Center in May 2018. Testing validated the viability of the LTCC thruster and provided valuable information on how to improve the thruster’s design.

Development Of Multi-Axial Fatigue Retrofits For Lock Gate Components, Logan Verkamp

Graduate Theses and Dissertations

Lock gates are essential infrastructure components to the United State (US) supply chain. They create large cost savings and environmental benefits when compared with traditional methods of transport (freight and rail). Because of the large quantity of goods and dependence on these shipping chains, the US economy can be drastically affected by an unexpected gate closure. Unfortunately, many lock gates within the US have reached or exceeded their designed life. Due to the intensity of cyclic loads and the environment, fatigue cracks have become a prominent issue. Developed cracks near the pintle region (a joint which the gate rotates and …

Optimizing Block-Stacking Operations With Relocation, Hueon Lee

Graduate Theses and Dissertations

The focus of the dissertation is developing the optimization problem of finding the minimum-cost operational plan of block stacking with relocation as well as devising a solution procedure to solve practical-sized instances of the problem. Assuming changeable row depth instead of permanent row depth, this research is distinguished from conventional block stacking studies.

The first contribution of the dissertation is the development of the optimization problem under the assumption of deterministic demand. The problem is modeled using integer programming as a variation of the unsplittable multi-commodity flow problem. To find a good feasible solution of practical-sized instances in reasonable time, …

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 …

Comparative Study Of Power Semiconductor Devices In A Multilevel Cascaded H-Bridge Inverter, Kenneth Mordi

Graduate Theses and Dissertations

This thesis compares the performance of a nine-level transformerless cascaded H-bridge (CHB) inverter with integrated battery energy storage system (BESS) using SiC power MOSFETs and Si IGBTs. Two crucial performance drivers for inverter applications are power loss and efficiency. Both of these are investigated in this thesis. Power devices with similar voltage and current ratings are used in the same inverter topology, and the performance of each device is analyzed with respect to switching frequency and operating temperature. The loss measurements and characteristics within the inverter are discussed. The Saber® simulation software was used for the comparisons. The power MOSFET …

Measuring Characteristic Shrinkage Variability Due To Metal Loading Effects In Low Temperature Co-Fired Ceramic Using Image Processing, John Ezekiel Zumbro

Graduate Theses and Dissertations

Low temperature co-fired ceramic (LTCC) has many benefits when it comes to electronic packaging due to the low dielectric loss, reliability in extreme environments, and high breakdown voltage. Though the ceramic has a lot of benefits it is not widely used due to the high cost and complexities associated with manufacturing. One of these issues with manufacturing is compensating for the shrinkage of the ceramic, this is accomplished by using an expansion factor, creating the “green” or manufactured design. This expansion factor is approximated through knowledge of the ceramic factors such as the metal loading, layers of ceramic tape, firing …

Feasibility Of Using Oxide Thickness Measurements For Predicting Crack Growth Rates In P91 Steel Components, Ralph Edward Huneycutt Iv

Graduate Theses and Dissertations

There are only few methods available for predicting the age of cracks that are found in high

temperature structural components during service; among the promising ones is the oxide

thickness measurement technique. Oxide thickness profiles are taken from crack surfaces of

components and used for predicting the rates of crack propagation. This technique is particularly

suitable for high temperature components fabricated from ferritic steels commonly used in power

plants that run on fossil fuels. To implement this technique, it is necessary to fully understand the

kinetics of high temperature oxidation in these steels. In this study, the oxidation characteristics

of …

Investigation Of A Numerical Algorithm For A Discretized Rubber-Belt Continuously Variable Transmission Dynamic Model And Techniques For The Measurement Of Belt Material Properties., Brian Gene Ballew

Graduate Theses and Dissertations

A numerical algorithm for modeling the dynamic response of a rubber-belt Continuously Variable Transmission (CVT) belt is recreated. The numerical attributes applied to the algorithm and difficulties with numerical stability are discussed in detail. The degrees of freedom of the system have been expanded to include the dynamics of the engine torque output and vehicle loads such as rolling resistance and aerodynamic drag. This was done to emphasize the use of the model as an analysis tool for simulating CVT/engine/vehicle response. The increased degrees of freedom require the addition of a linear dampening element between belt nodes to dampen resonance …

Traction-Separation Relationships For Hydrogen-Induced Grain Boundary Embrittlement In Nickel Via Molecular Dynamics Simulations, Wesley Allen Barrows

Graduate Theses and Dissertations

The deleterious effects of atomic and molecular hydrogen on the mechanical properties of metals have long been observed. Although several theories exist describing the mechanisms by which hydrogen negatively influences the failure of materials, a consensus has yet to be reached regarding the exact mechanism or combination of mechanisms. Two mechanisms have gained support in explaining hydrogen’s degradative role in non-hydride forming metals: hydrogen-enhanced localized plasticity and hydrogen-enhanced decohesion. Yet, the interplay between these mechanisms and microstructure in metallic materials has not been explained. Accordingly, for this thesis, the three main objectives are: (i) to develop a numerical methodology to …

Creep, Fatigue And Creep-Fatigue Interactions In Modified 9% Cr - 1% Mo (P91) Steels, Valliappa Kalyanasundaram

Graduate Theses and Dissertations

Grade P91 steel, from the class of advanced high-chrome ferritic steels, is one of the preferred materials for many elevated temperature structural components. Creep-fatigue (C-F) interactions, along with oxidation, can accelerate the kinetics of damage accumulation and consequently reduce such components' life. Hence, reliable C-F test data is required for meticulous consideration of C-F interactions and oxidation, which in turn is vital for sound design practices. It is also imperative to develop analytical constitutive models that can simulate and predict material response under various long-term in-service conditions using experimental data from short-term laboratory experiments. Consequently, the major objectives of the …

Improvements In Microdialysis Sampling Extraction Efficiency Using Recycled Flow, Justin Cole Deaton

Graduate Theses and Dissertations

Incomplete recovery during microdialysis sampling is hindering important research in neurology, proteomics, and immunology. Although the current generalized solution, decreasing volumetric flow rates (Q), has been and will remain to be a useful strategy it has reached it's a physical limitation due to evaporation at the collection site. Consequently, many important signaling molecules, such as signaling proteins, remain difficult to study. It is more fundamental to consider relative recovery as a function of the interaction time between the perfusate and the environment surrounding the probe.

In this work an increase in relative recovery was predicted by a mathematical model. Using …

Dynamical Properties Of Ferroelectric Perovskites (Ba,Sr)Tio3 And Pb(Zr,Ti)O3 Systems From First Principles, Jeevaka Weerasinghe

Graduate Theses and Dissertations

A first-principles-based effective Hamiltonian scheme which incorporates coupling between ferroelectric (FE) and antiferrodistortive (AFD) motions is applied to Pb(Zr,Ti)O₃ alloys. It validates the existence of two modes of E symmetry (rather than the single E(1TO) soft mode) in the 50-75 cm^-1 range for temperatures smaller than 200 K and for compositions falling within the Rhombohedral R3c phase. Coupling between long-range-ordered FE and AFD motions is shown to be the cause of the additional mode and more insight into its nature is provided. This scheme is further used to reveal a field-induced anticrossing involving FE and AFD degrees of …

Molecular Dynamics Study Of Diffusion Of O2 Penetrates In Uncrosslinked Polydimethysiloxane (Pdms), Crosslinked Pdms, And Pdms-Based Nanocomposites, Varun Ullal

Graduate Theses and Dissertations

Molecular dynamics simulations are used to study diffusion of O₂ molecules in pure polydimethysiloxane (PDMS), crosslinked PDMS, and PDMS-based nanocomposites. The PDMS chains and penetrates are modeled using a hybrid interatomic potential which treats the Si-O atoms along the chain backbone explicitly while coarse-graining the methyl side groups and penetrates. By tracking the diffusion of penetrates in the system and subsequently computing their mean-squared displacement, diffusion coefficients are obtained. In pure PDMS models of varying molecular weight, diffusivity of the O₂2 penetrates is found to have an inverse relationship with chain length. Simulation models with longer chains …

Development Of A Structured Concrete Thermocline Thermal Energy Storage System, Bradley M. Brown

Graduate Theses and Dissertations

The past couple of decades have shown a concern when considering the way the world obtains its power. The focus has been switching from fossil fuels that have been used for hundreds of years to renewable energy sources, such as the sun. Solar energy is readily and infinitely available for harnessing. One problem with solar energy, though, is its inability to be used during the night time and during cloud covered weather. A solution to this problem is the use of energy storage mechanisms. For solar plants that use solar thermal energy (concentrating solar power plants), thermal energy storage (TES) …