Engineering Commons^™

Data-Driven 2d Materials Discovery For Next-Generation Electronics, Zeyu Zhang

Dissertations

The development of material discovery and design has lasted centuries in human history. After the concept of modern chemistry and material science was established, the strategy of material discovery relies on the experiments. Such a strategy becomes expensive and time-consuming with the increasing number of materials nowadays. Therefore, a novel strategy that is faster and more comprehensive is urgently needed. In this dissertation, an experiment-guided material discovery strategy is developed and explained using metal-organic frameworks (MOFs) as instances. The advent of 7r-stacked layered MOFs, which offer electrical conductivity on top of permanent porosity and high surface area, opened up new …

Investigating The Rheological Behavior Of A Simple Yield Stress Fluid Under Shear Flows, Francesco Accetta

Theses

Many soft materials display unique and complex rheological behavior characterized by a transition from a solid-like to a fluid-like state upon the application of a force that exceeds the threshold to flow, known as the yield stress. Yield stress fluids are found in a wide range of commonly encountered materials including microgels, emulsions, and foams, and have been widely studied by rheologists over the last several decades. Carbopol is a popular polymeric microgel system as it displays simple, non-thixotropic rheological behavior and is typically seen as an ideal yield stress fluid. Previous research has demonstrated the reproducible behavior of shear …

Cu/Bnx Catalysts For Electrocatalytic Reduction Of Nitrogen And Nitrate Waste, Siming Huo

Dissertations

Ammonia (NH₃) is one of the most important chemicals to the whole human society. The invention of the Haber-Bosch process enabled the industrial production of NH₃. However, owing to the high capital costs of the centralized plant and the equipment and the negative environmental impact, it is no longer suitable for today's needs of human development. As a result, there is an urgent need to investigate sustainable approaches for ammonia production. Among those reported studies, nitrogen reduction (NRR) and nitrate reduction reaction (NO₃RR) are considered applicable in the future. However, after decades of studying …

Influence Of Material Properties On Granules Prepared By Dry Co-Rotating Twin Screw Extrusion And Counterrotating Batch Mixing, Afstathios Steve Pafiakis

Dissertations

Recently, the pharmaceutical industry has shown interest in continuous granulating technology because of the flexibility it offers as an option that bypasses the costly scale-up process associated with batch manufacturing. However, the granulation mechanism(s) using twin screw co-rotating hot melt extrusion (HME) has not been fully explored, and it is not yet well understood. This leads to costly experiments during development and process reliability problem in commercial manufacturing. The main objective of this dissertation is to increase the mechanistic understanding of the twin screw granulation process of systems containing an active pharmaceutical ingredient (API) and a polymer excipient. This is …

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

Dissertations

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

Effect Of Current Density Ramping On The Anodic Reaction And Morphology Of Aerospace Aluminum Alloys, Peter Totaro Jr.

Dissertations

Aluminum anodizing has been experimented with and studied over the last century because of its ability to form uniform, well ordered cellular coatings on aluminum alloys. Anodizing aerospace alloys has been problematic, due to the alloying elements used to add strength and resistance to stress cracking corrosion. These intermetallic compounds, i.e., copper and zinc, promote oxygen evolution and stress as they accumulate in and on the surface of the forming aluminum oxide. These inclusions lead to increased electrical resistance that forms porous and flawed coating, which can lead to industrial and field failures. The amount of voltage placed on the …

Coupled Oscillators: Protein And Acoustics, Angelique N. Mcfarlane

Theses

This work encompassed three different vibrational energy transfer studies of coupled resonators (metal, topological, and microtubule comparison) inspired by the lattices of microtubules from regular and cancerous cells. COMSOL Multiphysics 5.4 was utilized to design the experiment. The simulation starts with an acoustic pressure study to examine the vibrational modes present in coupled cylinders, representing α-, β-tubulin heterodimers. The Metal Study consisted of 3 models (monomer, dimer, and trimer) to choose the correct height (40 mm) and mode (Mode 1) for study. The Topological Study was run to predict and understand how the lattice structure changes over a parametric sweep …

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

Dissertations

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

Effect Of Process Control Agents Used In Mechanochemical Synthesis On Properties Of The Prepared Composite Reactive Materials, Mehnaz Mursalat

Dissertations

The study explores synthesis and reactivity of new reactive materials prepared by ball milling. High-energy ball milling became a ubiquitous mechano-chemical tool to manufacture diverse powders, from pharmaceuticals or foods to alloys to new solid rocket propellants. It enabled a dramatic expansion of the range of chemical compositions obtainable; however, it did not so far, allowed one to fine-tune morphology or interfaces in the generated powders. It is shown in this work how different process control agents (PCAs) can serve to tune the powder morphology and reactivity. Commonly used as lubricants and cooling agents during milling, liquid PCAs can be …

The Impact Of Material And Environmental Properties On The Ettringite - Metaettringite Thermochemical Reaction, Aaron Strand

Dissertations

The use of energy is an essential need for people, with demand constantly increasing due to an increasing population and an increase in living and comfort standards. Since 1965, world energy consumption has quadrupled. During peak utilization, the strain on the grid infrastructure can be immense. As energy demand fluctuates during different times of the day and year, the energy production needs to scale accordingly This creates inefficiencies within the system such as over building generation capacity or losses from start up or ramping up production. This can be alleviated through load leveling where excess energy generated during low demand …

Hydrophobically Modified Isosorbide Dimethacrylates As Biomaterials For Bisphenol A Free Dental Fillings, Bilal Marie

Dissertations

Amalgam and Bisphenol A glycerolate dimethacrylate (BisGMA) are the main dental filling materials in use today. Because of the negative perception of amalgam and its lower esthetic appeal, as well as the desire to replace the endocrine disruptor Bisphenol A, which is the building block of BisGMA, there has been a critical need to search for safer alternatives to these dental filling materials.

Isosorbide is a sugar-based molecule generally recognized as safe. It has been extensively studied as a replacement to the Bisphenol A core in various materials. However, isosorbide is extremely hygroscopic, and water uptake in dental fillings causes …

Electro-Chemo-Mechanics Of The Interfaces In 2d-3d Heterostructure Electrodes, Vidushi Sharma

Dissertations

Unique heterostructure electrodes comprising two-dimensional (2D) materials and bulk three dimensional (3D) high-performance active electrodes are recently synthesized and experimentally tested for their electrochemical performance in metal-ion batteries. Such electrodes exhibit long cycle life while they also retain high-capacity inherent to the active electrode. The role of 2D material is to provide a supportive mesh that allows buffer space for volume expansions upon ion intercalation in the active material and establishes a continuous electronic contact. Therefore, the binding strength between both materials is crucial for the success of such electrodes. Furthermore, battery cycles may bring about phase transformations in the …

Experimental And Computational Studies Of Functionalized Carbon Nanotubes For Use In Energy Storage Devices And Membranes, Emine S. Karaman

Dissertations

Electrolytes with good interfacial stability are a crucial component of any electrochemical device. The development of novel gel polymer electrolytes (GEs) with good interface stability and better manufacturability is important for the development of the next generation electrochemical devices. Gel electrolytes are hybrid electrolyte materials, combining benefits of both liquid and solid systems. Compared with liquid and solid electrolytes, GEs open new design opportunities and do not require rigorous encapsulation methods. In this dissertation, studies on functionalized carbon nanotubes (fCNTs) and graphene oxide (GO) doped polyvinyl alcohol (PVA) based gel electrolytes (GEs) are reported. The ionic conductivity and mechanical strength …

Electric-Field-Driven Processes In Multiphase Fluid Systems, Qian Lei

Dissertations

Advantages of using electric fields in miniaturized apparatuses for a wide range of applications are revealed by numerous experimental and theoretical studies over the last several decades as it offers a simple and efficient method for manipulation of multiphase fluid systems. This approach is considered to be especially beneficial for control of boiling processes and colloidal suspensions considered in the presented work.

Boiling. Today's trends for enhancing boiling heat transfer in terrestrial and space applications focus on removal of bubbles to prevent formation of a vapor layer over the surface at a high overheat. In contrast, this dissertation presents a …

Flexible Microfluidic Device With Nonplanar Interdigitated Microelectrodes, Saud Alssaidy

Theses

The lab-on-a-chip concept has improved significantly in recent years to meet global demand for various applications with the advent of new technologies. Much progress has been achieved, but many microfluidic devices still suffer from design limitations in terms of sensitivity and selectivity because they use rigid, fragile substrate materials and conventional electrodes, which do not provide high sensitivity or selectivity and suffer from signal-to-noise ratio issues. This work proposes a novel device architecture that uses flexible, transparent top and bottom layers integrated with (nonplanar interdigitated microelectrodes) to create a sandwich-like flexible substrate base. The top and bottom layers consist of …

Feedstock Powders For Reactive Structural Materials, Daniel Hastings

Dissertations

Metals as fuels have higher energy density per unit mass or volume compared to any hydrocarbon. At the same time, metals are common structural materials. Exploring metals as reactive structural materials may combine their high energy density with attractive mechanical properties. Preparing such materials, however, is challenging. Requirements that need to be met for applications include density, strength, and stability enabling the component to sustain the structure during its desired operation; added requirements are the amount and rate of the energy release upon impact or shock. Powder technology and additive manufacturing are approaches considered for design of reactive structural materials. …

Towards Quality By Design (Qbd) Of Pharmaceutical Oral Films Loaded With Poorly Watersoluble Drugs, Eylul Cetindag

Dissertations

Oral films are an emerging drug delivery dosage form with numerous advantages such as ease of handling, the possibility to circumvent the first-pass metabolism, better patient compliance, capability for continuous manufacturing, and as a platform for personalized medicine. As films are different from other final dosages by their dimensions and their matrix form, further research is required to better understand the impact of excipient and drug on product performance to assure a consistent and good quality product. Therefore, this dissertation aims to contribute towards the processability and manufacturability of films by examining the impact of the materials and processes. First, …

First-Principles Density Functional Theory Studies On Perovskite Materials, Aneer Lamichhane

Dissertations

Perovskites are a family of materials with a diverse combination of different elements. As a consequence, they exhibit numerous functionalities such as pyroelectric, piezoelectric, ferroelectric, and ferromagnetic with applications in photovoltaic cells, LEDs, superconductivity, colossal magneto-resistance, and topological insulators. After 2009, perovskites have gained notoriety as suitable materials for solar cells and alternative candidates to silicon-based conventional solar cells. Generally, oxide perovskites exhibit good dielectric properties, halide perovskites display good photonic qualities, and chalcogenide perovskites are used in applications in solid-state lighting, sensing, and energy harvesting. In this dissertation, various types of perovskites ranging from oxide to halide are investigated …

Fluorine-Based Inorganic Oxidizers For Use In Metal-Based Reactive Materials, Siva Kumar Valluri

Dissertations

This work explores inorganic fluorides as oxidizers for fuel-rich reactive materials. A preliminary assessment of metal fluorides accounting for their enthalpy of formation points to bismuth (III) fluoride, BiF3 and cobalt (II) fluoride, CoF2 as oxidizers of interest. Initially, composite powders of aluminum with chosen fluorides at 50-50 wt. % are prepared by arrested reactive milling. Despite an increase in reactivity and lowtemperature ignition, the prepared composite powders are insensitive to initiation by electro-static discharge (ESD), making them attractive alternative to analogous thermites having very high ESD sensitivity. In air, the composite powder particles burn faster than reference aluminum particles …

Controlled Reduction Of Graphene Oxide And Graphene Oxide-Carbon Nanotube Hybrids And Their Applications, Samar Azizighannad

Dissertations

Graphene and graphene derivatives are widely used in diverse research and industrial applications. Graphene production on a large scale is carried out by exfoliating graphite oxide and producing graphene oxide (GO), which comprises of graphene sheets with different oxygen-containing functional groups such as hydroxyl, carboxyl, and carbonyl. GO is reduced to reduced graphene oxide (rGO), which has properties that are closer to graphene. Properties of GO and rGO depend upon the oxygen content, and the effect of reducing oxygen content on the aqueous behavior of rGOs is not well understood.

In an effort to understand how properties of rGO change …

Experiments And Modeling Of The Chemo-Mechanically Coupled Behavior Of Polymeric Gels, Nikola Bosnjak

Dissertations

Polymeric materials consist of mutually entangled or chemically crosslinked long njitmolecular chains which form a polymer network. Due to their molecular structure, the njitpolymeric materials are known to undergo large deformation in response to various njitenvironmental stimuli, such as temperature, chemical potential and light.

When a polymer network is exposed to a suitable chemical solvent, the solvent molecules are able to diffuse inside the network, causing it to undergo a large volumetric deformation, known as swelling. In addition to volumetric deformation, this process involves the chemical mixing of the polymer network and solvent molecules, and is typically environmentally responsive. A …

Treated Hfo2 Based Rram Devices With Ru, Tan, Tin As Top Electrode For In-Memory Computing Hardware, Yuvraj Dineshkumar Patel

Theses

The scalability and power efficiency of the conventional CMOS technology is steadily coming to a halt due to increasing problems and challenges in fabrication technology. Many non-volatile memory devices have emerged recently to meet the scaling challenges. Memory devices such as RRAMs or ReRAM (Resistive Random-Access Memory) have proved to be a promising candidate for analog in memory computing applications related to inference and learning in artificial intelligence. A RRAM cell has a MIM (Metal insulator metal) structure that exhibits reversible resistive switching on application of positive or negative voltage. But detailed studies on the power consumption, repeatability and retention …

Modeling Single Microtubules As A Colloidal System To Measure The Harmonic Interactions Between Tubulin Dimers In Bovine Brain Derived Versus Cancer Cell Derived Microtubules, Arooj Aslam

Dissertations

The local properties of tubulin dimers dictate the properties of the larger microtubule assembly. In order to elucidate this connection, tubulin-tubulin interactions are be modeled as harmonic interactions to map the stiffness matrix along the length of the microtubule. The strength of the interactions are measured by imaging and tracking the movement of segments along the microtubule over time, and then performing a fourier transform to extract the natural vibrational frequencies. Using this method the first ever reported experimental phonon spectrum of the microtubule is reported. This method can also be applied to other biological materials, and opens new doors …

Numerical And Analytical Methods To Predict Behavior Of Reinforced Ductile Concrete Composites, Mandeep Pokhrel

Dissertations

Structural components constructed with ductile concrete composites, such as high-performance fiber-reinforced cementitious composites (HPFRCC), are known to perform exceptionally well under extreme mechanical and environmental loading conditions compared to traditional concrete. HPFRCC flexural components exhibit enhanced performance in terms of displacement ductility, energy dissipation capacity, and damage tolerance capacity. However, recent research suggests that the flexural behavior of reinforced HPFRCCs in terms of crack progression, reinforcement plasticity, and failure mechanism is significantly different than conventional reinforced concrete. Specifically, the failure mode of flexural members is found to be predominantly through the fracture of longitudinal reinforcement rather than compression crushing of …

The Impact Of Conversion On The Durability Of Calcium Aluminate Cement Concrete Systems, Marwa Mohsen Korayem

Dissertations

The deterioration of infrastructure in North America has resulted in a significant need for concrete repair materials that can be used to maintain service life of these structures. Hydraulic cement based rapid repair materials can be used to repair pavement and bridge deterioration with minimal impact on economic activities such as freight handling or public transportation. While there are many options for use in repair situations, calcium aluminate cements have become more popular recently, particularly in situations where repairs must be completed rapidly.

Calcium aluminate cement (CAC) is a cement characterized by its rapid strength gain, even at low temperatures …

Improving Boron For Combustion Applications, Kerri-Lee Annique Chintersingh

Dissertations

Boron has received much attention as a potential additive to explosives and propellants due to its high theoretical gravimetric and volumetric heating values. The challenge, however, is that boron particles tend to agglomerate, have lengthy ignition delays and very low combustion rates. Prior research indicates that boron’s long ignition delays are due to its inhibiting naturally occurring oxide layer, impeding the diffusion of reactants for oxidation. For combustion, current studies report that boron particles have two consecutive stages, but the actual reaction mechanism is poorly understood. Despite many years of relevant research, quantitative combustion data on micron-sized boron particles are …

Supercapacitors With Gate Electrodes, Tazima Selim Chowdhury

Dissertations

A new approach to improve the capacitance of supercapacitors (SC) is proposed in this study. A typical SC is composed of an anode and a cathode; a separator in between them assures an unintentional discharge of the capacitor. The study focuses on a family of structured separators, either electronically active or passive which are called gates. An active structured separator layer has been fabricated and analyzed. The structured separator has characteristics of electrical diode and is fabricated out of functionalized carbon nanotubes (CNT). Improvement of the overall capacitance of SC, equipped with either active or passive structured separators demonstrated a …

Epitaxial Growth Of Iii-Nitride Nanostructures And Their Optoelectronic Applications, Moab Rajan Philip

Dissertations

Light-emitting diodes (LEDs) using III-nitride nanowire heterostructures have been intensively studied as promising candidates for future phosphor-free solid-state lighting and full-color displays. Compared to conventional GaN-based planar LEDs, III-nitride nanowire LEDs exhibit numerous advantages including greatly reduced dislocation densities, polarization fields, and quantum-confined Stark effect due to the effective lateral stress relaxation, promising high efficiency full-color LEDs. Beside these advantages, however, several factors have been identified as the limiting factors for further enhancing the nanowire LED quantum efficiency and light output power. Some of the most probable causes have been identified as due to the lack of carrier confinement in …

N8- Polynitrogen Stabilized On Carbon-Based Supports As Metal-Free Electrocatalyst For Oxygen Reduction Reaction In Fuel Cells, Zhenhua Yao

Dissertations

The sluggish oxygen reduction reaction (ORR) kinetics at the cathode is one of the key factors limiting the performance of polymer electrolyte membrane fuel cell (PEMFC). Platinum-based materials are the most widely studied catalysts for this ORR reaction while their large-scale practical application in fuel cells is hindered due to their scarcity and low stability. Therefore, highly active, low cost and robust non-Pt catalysts are being developed to overcome the drawbacks. Recently, a novel polynitrogen N8- (PN) stabilized on multiwall carbon nanotube (MWNT) was synthesized under ambient condition for the first time by our group and demonstrated high ORR activities. …

Surface-Enhanced Raman Detection Of Glucose On Several Novel Substrates For Biosensing Applications, Laila Saad Alqarni

Dissertations

The small normal Raman cross-section of glucose is considered to be a major challenge for its detection by Surface Enhanced Raman Spectroscopy (SERS) for medical applications. These applications include blood glucose level monitoring of diabetic patients and evaluation of patients with other medical conditions, since glucose is a marker for many human diseases. This dissertation focuses on Surface-Enhanced Raman Scattering primarily for the detection of glucose. Some experiments also are carried out for the detection of the corresponding enzyme glucose oxidase that is used in electrochemical glucose sensors and in biofuel cells. This project explores the possibility of utilizing Surface …