Materials Science and Engineering Commons^™

Physical And Optical Properties Of The Germanium-Arsenic-Selenium Glass Forming Region For Precision Glass Molding And Infrared Optics, Peter F. Wachtel Ii

All Dissertations

The growth and advancement of infrared optical systems for thermal imaging, multi-band imaging, hyperspectral imaging, medical diagnostics, and chemical sensing are pushing the material science community to better understand existing materials while also developing new materials. Additionally, the thermal imaging market continues to grow, and system designers are continually being asked to reduce size, weight, and power while reducing costs (SWaP-c). Market growth has shifted optics manufacturing towards higher volume processes such as precision glass molding, but this does require most materials to be recharacterized due to property changes resulting from the process. Affecting the SWaP-c requirements, manufacturing tolerances are …

Engineering Silicone Magnetic Fluids For Localized Radiation Attenuation During Ocular Melanoma Brachytherapy, Zachary L. Caprow

All Dissertations

Ocular melanoma is commonly treated using plaque brachytherapy; however, radiation-induced damage to healthy ocular tissues frequently results in partial or complete vision loss. This work investigates the development of an injectable, magnetically responsive silicone magnetic fluid designed to localize adjacent to the tumor and attenuate low-energy gamma radiation during treatment.

The material system consists of iron oxide nanoparticles surface-functionalized with a siloxane polymer, in which the nanoparticles provide magnetic responsiveness and radiation attenuation, while the polymer coating ensures colloidal stability, injectability, and biocompatibility. A one-pot synthetic approach was developed wherein a functionalized siloxane polymer containing iron-affinitive groups was reacted with …

Interplay Between Phase Instability And Deformation Mechanisms In Beta Titanium Alloys In Aggressive Environments, Benjamin Elbrecht

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Modern designs, such as commercial jet turbines, are reliant on the high temperature performance of their constituent materials. Improvements to the strength-at-temperature of materials are critical to the continued advancement of efficiency and payload capacity in these advanced applications. This dissertation presents studies that progress towards this goal through the construction of a new experimental setup for complex temperature and force profiles that also accurately captures deformation behavior through non-contact measurements. Using this setup, studies into two specialty titanium alloys were executed: discovering the microscopic mechanisms responsible for the macroscale behavior and testing in conditions closely replicating aircraft turbine operating …

Integrating Dft And Machine Learning To Predict Structural Properties In High Entropy Alloys, Nathan Linton

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In the past decade, a paradigm shift in the design of metal alloys has been observed. These new alloys are commonly referred to as high entropy alloys (HEAs), multi-principal element alloys (MPEAs), or complex, concentrated alloys (CCAs). In contrast to conventional alloys, which consist of one main element (for example 80%) with other elements in small amounts, HEAs are made of four or more main elements ranging from 5 to 35% each element. Due to the large presence of multiple elements, HEAs have shown substantial material property improvements over conventional alloys such as steel. For example, they have high ductility …

Effect Of Polymer Contaminants Sourced From Coated Paper On The Performance Of The Resulting Recycled Paper, Ezekiel J. Guevarra

All Theses

The growing demand for sustainable packaging has accelerated the use of paper-based materials as alternatives to plastics. To provide barrier and functional properties, these materials are often modified with polymer coatings. While beneficial during use, such coatings can persist as contaminants during recycling, potentially disrupting fiber bonding and reducing the quality of recycled paper. This study examined the impact of extrusion-coated low-density polyethylene (LDPE) films and two aqueous dispersions (Vapor/Water-Barrier, Acrylic Film (VWAF) and Oil & Grease Barrier (OGBF)) on contaminant distribution and mechanical performance of recycled handsheets. Kraft paper coated at varying levels was repulped and formed into handsheets, …

Polypropylene/Polyethylene Blends With Asymmetric Viscosity: Fabrication, Characterization, And Recycling Potential, Bernadine Daichendt

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Polyolefin materials, polypropylene (PP) and polyethylene (PE), are widely used in day-to-day life both commercially and industrially, offering versatile applications due to their mechanical and chemical properties. The high consumption rate of these materials makes them important targets for recycling efforts. However, there are multiple contributing factors leading to low recycling of PP and PE, chiefly sorting factors: chemical similarity, changed properties after multiple rounds of processing, and the use of processing aids. It is necessary to point out that, because of multiple melt processing cycles, recycled PP has decreased molecular weight due to chain scission. Conversely, recycled PE molecular …

Predicting Long-Term Creep Behavior Using Short-Term Stress Relaxation Data In Expanded Polyethylene Foam, Andrew M. Seelig

All Theses

Closed cell expanded polyethylene (EPE) foams are widely used for protective packaging due to their high energy absorption properties and recyclability. However, these foams can be subjected to sustained compressive stresses (13.78 - 36.20 kPa), depending on density and application, leading to time-dependent deformation (creep). Creep reduces cushioning performance, making its understanding critical for effective protective packaging. Two standards, ASTM D3575 and ASTM D2221, define methods for conducting compressive creep tests on foam materials, with test durations extending up to 1000 hours. Accelerated methods such as Time Temperature Superposition (TTS) and the Stepped Isostress Method (SSM) have been explored for …

Synthesis And Characterization Of Chemically Recyclable Polypropylene-Based Covalent Adaptable Networks, Andrii Tiiara

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Polyolefins (POs) are inexpensive engineering materials with excellent physical and mechanical properties, accounting for nearly 60% of all thermoplastics. However, large-scale recycling remains limited, with only ~15% undergoing mechanical recovery. This dissertation addresses this challenge by fragmenting and functionalizing polypropylene (PP) chains to generate macromonomers and employing them, along with industrial reactive PP macromonomers, to synthesize, depolymerize, and repolymerize chemically recyclable polypropylene-based polyolefins (CR-POs). These CR-POs incorporate ester linkages that form covalent adaptable networks (CANs), maintaining a gel fraction of ~70% while remaining melt-reprocessable via extrusion and compression molding.

First, the fragmentation of PP is investigated by microwave irradiation. Microwave …

Investigation Of Solid-State Reactive Sintering And Rapid Laser Reactive Sintering For Al-Doped Li7la3zr2o12 Solid-State Electrolyte, Aaron Santomauro

All Dissertations

As a society, we’ve exhausted an extreme amount of fossil fuels and put an overwhelming strain on Earth’s natural resources. From this, it is critical to think about the successful future of our planet and ourselves by developing energy devices such as all-solid-state lithium-ion batteries (ASSLIBs). These devices offer a greener and more efficient alternative to power our daily lives, such as electric vehicles (EVs), portable electronics, medical devices, grid-scale energy storage, and aerospace/aviation. ASSLIBs are an excellent alternative to liquid-state batteries, which pose dangerous safety concerns (e.g., flammability, electrolyte leakage, etc.). These ASSLIBs are known to have generally high …

Discovery Of High-Performance Cathode Materials For Protonic Ceramic Fuel Cells, Liang Han

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Environmental pollution and rapid energy consumption have become common problems in global development and will continue to grow with the world population. PCFCs use proton-conducting ceramics as electrolytes, with low activation energy and high ionic conductivity at intermediate temperatures, enabling them to operate at intermediate-temperature conditions, which can effectively solve the problems of poor stability and high cost of exotic materials of traditional solid oxide fuel cells. However, as the operating temperature decreases, the electrocatalytic activity of the cathode decreases significantly, seriously affecting PCFC’s performance. Therefore, developing high-performance cathode material suitable for working under intermediate-temperature conditions has become the key …

Advancing Lithium-Ion Batteries Through Exploration Of Novel Physico-Chemical Phenomena, Peshal Karki

All Dissertations

Lithium-ion batteries (LIBs) power a wide range of modern devices, from smartphones to electric vehicles. This dissertation integrates materials characterization and electrochemical testing to develop novel Si-based electrode materials, investigate separator effects, and improve electrochemical impedance spectroscopy (EIS) modeling. First, I synthesized Si@CC composites using bio-based carbon sources and discovered a novel in situ disorder reduction in the amorphous carbon cloud during cycling, attributed to Si volume fluctuations and mesoporous carbon structure, which enhanced capacity retention. A binder-free electrode (Si@CC@BP) using bucky paper further improved gravimetric and areal capacities while reducing weight and manufacturing complexity.

Next, I investigated how separator …

Crevice Corrosion Mechanisms Of Cocrmo Alloys In Orthopedic Implants: Retrieval Analysis, Nano-Tribocorrosion And Cellular Responses, Hwaran Lee

All Dissertations

Mechanically assisted corrosion and non-mechanically (chemically) driven corrosion in modular junctions of orthopedic implants using cobalt-chromium-molybdenum (CoCrMo) alloys remain clinical concerns and may contribute to implant failure. The underlying corrosion mechanisms are not yet fully understood, leaving a critical research gap. We hypothesized that corrosion in modular junctions may be driven by aggressive local environments, including fretting, metal ion release (cobalt ion, Co²⁺), low pH and reactive oxygen species (ROS). This dissertation aims to (1) analyze corrosion modes and potential causes in modular junctions; (2) identify chemically driven corrosion modes on CoCrMo alloys using simulated inflammatory modular taper …

Self-Poled P(Vdf-Trfe) Based Composites For Energy Harvesting And Wearable Sensor Applications, Lavanya Muthusamy

All Dissertations

The growing demand for flexible, low-power, and self-powered wearable electronic systems has accelerated research interest in polymer-based sensors and energy harvesting technologies. Among piezoelectric polymer materials, Poly(vinylidene fluoride-trifluoro ethylene) [P(VDF-TrFE)], over the years, has garnered significant attention due to its unique piezoelectric properties, high dielectric constant, mechanical flexibility, thermal stability, chemical resistance, biocompatibility and compatibility with scalable fabrication processes. Despite its advantages, conventional P(VDF-TrFE)-based devices often require external poling and face limitations in integration with low-cost, flexible substrates. To overcome these limitations, this research study explores the nanofiller approach, along with facile fabrication processes, and structural design strategies aimed at …

Advancing Multi-Physics Modeling For Microwave Heating: Application In Micro-Reactor Design And Optimization, Raghav Adhikari

All Theses

Microreactors are a type of small-scale chemical reactors for achieving reduced volume, improved product selectivity and higher reaction rate. It allows precise temperature control, which is crucial for sensitive chemical processes. Microreactors can be employed as key components of conducting small-scale reactions with improved reactor configuration and process efficiency. It is important to identify a localized and precise heating mechanism to trigger and control the corresponding chemical reactions.

In fact, microwave heating has gathered significant attention in recent years due to its ability to deliver efficient, rapid, and localized heating, which can accelerate reaction rates and enhances the reaction selectivity. …

Grain Boundary Migration And Radiation Induced Segregation In Fe-Cr Alloys, Mohit Dhoriya

All Theses

Radiation-induced segregation (RIS) is a significant phenomenon that occurs in alloys subjected to irradiation, particularly in environments such as nuclear reactors. This thesis investigates RIS in ferritic Fe- Cr alloys through the use of Atomic Kinetic Monte Carlo (AKMC) simulations, focusing on the interaction between solute atoms and migrating grain boundaries. The study explores the influence of temperature, solute concentration, and grain boundary velocity on solute drag, a critical process driving RIS. The results show that solute migration is strongly influenced by the presence of vacancies and interstitials generated under irradiation, which are absorbed by grain boundaries and other defect …

Designing Self-Healable Aromatic Copolymers And Olefinic Composites, Samruddhi Yashwant Gaikwad

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Self-healing polymers capable of recovering from mechanical damage are promising materials for advanced applications, especially those involving mechanical and/or physical fatigue. In these studies, we have developed techniques to achieve autonomous self-healing in commodity Styrene/n-butyl acrylate copolymers. The mechanism of self-healing in the designed polymers involves inter-and/or intrachain non-covalent interactions between π-cloud and polar linkages of acrylic nBA in random/preferentially alternating copolymers. A combination of spectroscopic tools, thermo-mechanical analysis, and molecular dynamics (MD) simulations has been used to elucidate the mechanism of self-healing. These studies further show the incorporation of dipolar C-F groups to understand the effect of having fluorinated …

Synthesis And Characterization Of Magnetic Nanoparticles To Study Effective Magnetic Anisotropy For Biomedical And Catalytic Applications, Alexander Malaj

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This dissertation focuses on understanding how to tune the magnetic properties of nanoparticles through controlling the effective magnetic anisotropy (Keff), which is a key variable in determining a nanoparticle’s Néel relaxation time, which will dictate its magnetic behavior in various applications. In this work, magnetocrystalline anisotropy is tuned by synthesizing tri-metallic substituted ferrite (Fe3-x-yMnxCoyO4) nanoparticles with specific metallic compositions that were informed by computer simulations using density functional theory (DFT) to target magnetocrystalline anisotropy values. A drip synthesis was used to control the size and composition of the tri-metallic ferrites, which were revealed to be monodisperse and compositionally mixed by …

Ultrafast Laser Surface Structuring For Wettability Control On Copper, Akshay Arvind Nagvenkar

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Wettability is a crucial surface property influencing various phenomena, including heat transfer, cell adhesion, and corrosion. Engineering devices can achieve superior performance by precisely manipulating surface wettability. As a result, extensive research has focused on developing surfaces that exhibit either extreme water attraction (superhydrophilic) or strong water repellency (superhydrophobic). Tailoring surface wettability paves the way for numerous applications, such as drag reduction in marine vessels, controlled drug delivery, efficient water collection, advanced liquid transport systems, oil-water separation, anti-corrosion coatings, friction reduction, and self-cleaning materials. Ultrafast laser surface structuring is a promising approach for engineering multifunctional surfaces, effectively modifying material properties …

Deciphering And Translating Bioinspired Structures For Engineering Materials Design Via Computational Modeling And Machine Learning, Zhangke Yang

All Dissertations

Nature has evolved extraordinary structural materials—such as nacre, bone, and the mantis shrimp’s dactyl club—that achieve remarkable combinations of strength, toughness, and impact resistance. These properties arise from sophisticated synergies between structure and composition. Inspired by these biological systems, this dissertation presents a comprehensive investigation into bioinspired materials, uncovering fundamental mechanisms and providing guidance on designing materials with superior mechanical properties.

This dissertation begins by examining the "brick-and-mortar" structure of nacre, which informs the design of layered polymer-graphene nanocomposite films. Using coarse-grained molecular dynamics simulations, I elucidate mechanisms of dynamic wave propagation and energy dissipation in these systems, providing critical …

Developing Reduced Order Models For Gas Bubble Formation In Irradiated Metals Using Integrated Phase Field Modeling And Koopman Operator Theory, John M. Eggemeyer V

All Theses

Irradiation damage in materials is prevalent in nuclear components, posing significant risks in the safety and reliability of nuclear reactors. Phase field models offer a versatile framework for modeling irradiation damage in materials at mesoscales. Such high fidelity method has been used to model the formation of fission gas bubbles superlattice, a microstructure array occurs at certain irradiation conditions (dose, dose-rate, and temperature). To overcome the high computational cost of phase field modeling, Koopman operator theory is applied to create reduced order models, allowing for instantaneous simulations of fission gas bubble behaviors. These low fidelity models are integrated into machine …

Mechanistic Insights Into Polymer-Assisted Graphene Exfoliation: The Roles Of Velocity, Adhesion, Cohesion, Temperature, Peeling Mode, And Edge Defect Via Coarse-Grained Molecular Dynamics, Linjiale Dai

All Theses

Graphene exfoliation is a critical step in the fabrication of high-quality graphene

layers. However, the underlying fracture mechanisms remain poorly understood. In this

work, I employed coarse-grained (CG) molecular dynamics (MD) simulations to

investigate how factors such as interfacial binding energy, substrate cohesion, temperature,

peeling mode, and edge defects influence the outcome of the exfoliation process. To model

polymer-assisted mechanical exfoliation, I used a finite-size system in which multilayer

graphene (MLG) is sandwiched between two thin polymer films. Leveraging the

spatiotemporal efficiency of the CG model, I performed fifty simulation iterations per

parameter set and analyzed the results from a …

The Evolution Of Nanoparticles In Nanoparticle Doped Optical Fibers, Mary Cahoon

All Dissertations

Optical fiber and fiber laser technologies based on silica glass are critical to many technologies today. One method to improve the optical performance of laser fibers is engineer the local environment around the active elements in the glass. To that end, this Dissertation focused on the fabrication and characterization of fibers made with nanoparticles incorporated into the glass to control the local composition. First, the nanoparticle composition and structure was analyzed as it evolved from from the initially-synthesized form to incorporation into the dense aluminum-silicate glass. The aluminum oxide in the glass was found to be important not only to …

Principles Of Advanced Manufacturing For Engineers, Xin Zhao, Walid Asad, Subha Majumder, Chenyang Zhu

Manufacturing

No abstract provided.

Striking A Balance: Market Shock & Responses In Automotive Components Manufacturing, Emma Lane Mcgahey

All Theses

This thesis examines the effects of extreme market shocks on supply chain dynamics within the automotive industry. Through an analysis of demand data from an automotive manufacturer to its component suppliers (January 2018 to May 2024), the study investigates the relationship between market shocks and supply chain responses, providing insights into how auto components inventory management handles downstream responses to market shocks. With supporting public data—from FRED, BLS, and the U.S. Census Bureau resources—we explore two primary relationships: the impact of market shocks on the Average Standard Deviation of Demand (SDO) and the effect of demand variability on expedited pricing …

Toward Electrochemical Detection Of Salmonella Enterica Serovar Enteritidis On Hydroponically Grown Green Onions (Allium Fistulosum L.), Lisseth Casso-Hartmann

All Theses

The Food and Drug Administration (FDA) established standards during the growing, harvesting, packing, and holding of produce for human consumption as part of implementing the Food Safety Modernization Act (FSMA). One of the main requirements for farmers is to detect environmental pathogens such as Salmonella enterica species in water and sprout samples. S. enterica is a bacterium of significant concern due to its pathogenicity and ability to survive and persist in diverse environmental conditions. S. enterica has been associated with recalls in ready-to-eat foods. Traditional detection methods include Enzyme-Linked Immunosorbent Assay (ELISA), Polymerase Chain Reaction (PCR), and plate counting, which …

Pressureless Sintering Of Sic - Oxide Multiphase Ceramics For Protective Coating Applications, Reilly Boros

All Theses

For hydrogen-fueled combustion, there exists a demand to improve coating materials that are capable of protecting SiC_f/SiC CMC turbine material. Promising coating materials must be able to shield from harsh oxidation while working at extremely high temperatures. The work presented in this thesis aims to expand the understanding of two promising material systems for integrated environmental barrier coating (EBC) – thermal barrier coatings (TBC) by fabricating bulk composite ceramic samples and performing characterization to further understand their sintering behaviors. In this study, a processing procedure to consistently produce dense composite ceramics of PDC SiC – Y₂Si …

Neural Operator And Physics-Informed Deep Learning Approaches For Inverse Design Of Composites And Manufacturing Processes, Minglei Lu

All Dissertations

In this dissertation, artificial intelligence (AI) models are designed and used to accelerate inverse design of composites and manufacturing processes. The critical bottlenecks in machine learning (ML) including data availability, data quality, model generalization and adaptation, interpretability, physical consistency, and the ’black box’ nature of models for the inverse design are addressed. And the proposed AI models are tested under different engineering scenarios. Firstly, a fast deep neural operator (DNO) structure was developed to significantly reduce training time. This model was tested in the context of additive manufacturing, a transformative industrial technology that allows for the creation of materials with …

Prediction Of Dislocation Density During Casting Of 316 Stainless Steel Based Alloys As A Function Of Chromium And Nickel Composition, Abhishek Chitradurga Ranganath

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By the 1990s, computational methods were beginning to be used to study dislocation density in mental casting. Prior to that time research was based heavily on laboratory studies. This move was encouraged by the need to overcome limitations that experimental approaches had, including high costs and time-consuming processes, and needs of researchers to understand atomic-scale phenomena. Computational techniques allow complex materials to be simulated in cost effective way and can provide insight into behaviour that could never be determined through experimental methods alone.

This work utilized molecular dynamics (MD) simulations along with machine learning approaches to examine the dislocation density …

Magnetic Nano And Micro Rods As Tools For Characterizing Materials Mechanical Properties: Fundamentals And Applications, Artis Brasovs

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The focus of this dissertation is insect blood (Hemolymph). Hemolymph is analyzed by taking a materials science approach. Rheological characterization of hemolymph has been performed for the first time. Owing to a minute amount of available material, a new protocol was established where Magnetic Rotational Spectroscopy (MRS) with ferromagnetic nanorods was employed. The challenge was examining the microliter droplets' viscosity in less than a few minutes. This challenge was successfully resolved.

Blood is critical for the insect's survival: after wounding, the insect has to seal the wound quickly, in a few minutes. As the mechanism of fast clotting has never …

Laser Processing Of Multi-Phase Ceramics, Siddhartha Sarkar

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This research explores laser-based processing for multi-phase ceramics, offering a faster, more energy-efficient alternative to conventional ceramic fabrication. Four material systems are explored: silica-titania, alumina-iron, polymer-derived ceramic SiC-gadolinium zirconate, and polymer-derived ceramic SiC-yttrium silicate.

The silica-titania study presents a novel direct CO₂ laser writing approach to fabricating pure silica and silica-titania glasses with exceptional dimensional control and optical transparency, enabling fine spatial resolution, instantaneous consolidation, and eliminating post-heat treatment. Notably, the TiO₂ solubility in the silica network achieved is higher than previously reported, with structures remaining crack-free and transparent up to a specific TiO₂ percentage.

The alumina-iron …