Materials Science and Engineering Commons^™

Engineering Multifunctional Silicon Nanostructures From Biorenewable Cellulose Nanocrystals, Nancy Chen

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The imperative search for alternative materials to address the pressing demand for advance energy storage is underscored by the escalating environmental predicaments. Lithium-ion batteries (LIBs) with graphite anodes have become the benchmark in energy storage; however, they are approaching a saturation point in terms of energy density. Silicon emerges as a promising contender to supplant graphite, owing to its profuse availability, cost-effectiveness, and impressive specific capacity of 4200 mAh g^-1. By integrating silicon anodes, LIBs stand to undergo a radical transformation, markedly diminishing in weight and size, thus heralding a novel wave of compact, lightweight energy storage systems. …

Process-Structure-Property-Performance Modeling For Semicrystalline Thermoplastics And Composites, Tatiana Stepanova

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With a growing focus on reducing the adverse effects of transportation on the environment, industries are seeking fuel-efficient and sustainable solutions. Fuel efficiency can be improved in several ways, but structural lightweighting has demonstrated overall effectiveness. In this regard, thermoplastic composites and additive manufacturing (AM) thermoplastics have become viable candidates for use in the automotive industry, given the need for weight reduction and efficiency improvement.

The advantages of AM include simplifying supply chains, simplifying part geometry, and enabling mass customization. In order to design high-performance AM structures, extensive modeling and simulation are required. AM thermoplastics are similar to conventional manufacturing …

A Manufacturing-To-Response Pathway For Manufacturing Optimization Of Carbon Fiber Reinforced Polymer Composite Structures, Madhura Limaye

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Over the past decade, there has been an increased adoption of thermoplastic and thermoset based continuous carbon fiber reinforced polymer (CFRP) composites for structural applications in several industries. Among the different manufacturing methods, thermoforming process for thermoplastic based continuous CFRP’s offer a major advantage in reducing cycle times for large scale productions. Similarly, out-of-autoclave curing process for thermoset based continuous CFRP’s using heated tooling enables production of large composite structures. However, these manufacturing processes can have a significant impact on the structural performance of parts by inducing undesirable effects. These effects include inhomogeneous fiber orientations, thickness variations, and residual stresses …

Additive Manufacturing With Bioresorbable Polymers: Process-Structure-Property Relationships For Biomimetic Tissue Scaffolds, Clayton Joseph Culbreath

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Tissue engineering has a base requirement of scaffold structures to support cell growth, proliferation, and regeneration. However, attempts to use artificial scaffold structures have often fallen short of clinical needs to justify the change away from the established, biologic-based current standard of care. Based on the limited number of successful tissue scaffolds produced by material extrusion modes of additive manufacturing, fused filament 3d printing and electrospinning, critical design specifications for a tissue scaffold are six minimum requirements: 1) biocompatibility, 2) porosity, 3) mechanical properties, 4) bioresorbable medical grade materials, 5) bioactivity, and 6) appropriately scaled production methods compliant with medical …

Machine Learning Assisted Discovery Of High-Performance Perovskites For Hydrogen Production, Ximei Zhai

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Hydrogen has significantly contributed to the global energy transition as a clean energy carrier. However, traditional hydrogen production involves energy-intensive processes with heavy carbon emissions. High-temperature water splitting to generate hydrogen has become a promising route for clean hydrogen production. Directly utilizing concentrated solar heat to perform solar thermochemical hydrogen (STCH) production is considered one of the most eco-friendly hydrogen production options. At the same time, high-temperature electrolysis in protonic ceramic electrolysis cells (PCECs) can efficiently utilize intermittent and cost-effective renewable electricity to produce hydrogen. Perovskite oxides with good redox capability and tolerance for oxygen deficiency are considered the most …

Volatile Crystalline Semiconductor Core Fibers, Thomasina Zaengle

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Optical fibers play critical roles across many facets of everyday life from communications to e-commerce to sensing and security. The ubiquity of optical fibers arises from their intrinsic clarity and, as glasses, their ability to be thermally drawn at high speeds over long distances when suitably heated about their glass transition temperature. Sixteen years ago, the first thermally drawn crystalline core fibers were fabricated using the molten core method, whereby a melt is confined within a glass capillary tube that is then drawn to fiber. This opened the door to crystalline semiconductor core fibers, which are now the backbone of …

Tin-Silver As A Novel Biodegradable Metallic Biomaterial, Charley Goodwin

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The Essure device is a non-hormonal, minimally-invasive, permanent female sterilization implant, removed from the market due to an increase in adverse events, hypothesized to be caused by corrosion of the Sn-Ag component of the implant. The goals of this dissertation were to first develop implant retrieval methods for Essure devices and surrounding tissue, documenting signs of degradation and metallic degradation products, then to characterize the electrochemical behavior of Sn-Ag in biologically representative environments and finally, to assess the biological interaction of Sn-Ag. Retrieval analyses developed successful methods, qualifying the degree of corrosion, primarily of the Sn-Ag component and finding Sn …

Developing High-Performance 2d Heterostructured Electrocatalysts And Photocatalysts For Hydrogen Production And Utilizationsts And Photocatalysts For Hydrogen Production And Utilization, Xiaohan Ma

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H₂ is a pivotal chemical in modern society, not only as a clean energy carrier but also as a versatile chemical reactant. However, traditional hydrogen production and utilization heavily rely on thermocatalysis, which is highly energy-intensive and can result in heavy carbon emission and severe environmental problems. Photocatalysis and electrocatalysis are greener alternatives to thermocatalysis that can capitalize on the renewable sunlight and electricity and thus dramatically reduce energy requirements. However, heterogeneous electro/photocatalysts are still far from application to hydrogen economy due to the lack of design principles that can lead to sufficient efficiency. To address this challenge, the …

Cfrp Delamination Density Propagation Analysis By Magnetostriction Theory, Brandon Eugene Williams

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While Carbon Fiber Reinforced Polymers (CFRPs) have exceptional mechanical properties concerning their overall weight, their failure profile in demanding high-stress environments raises reliability concerns in structural applications. Two crucial limiting factors in CFRP reliability are low-strain material degradation and low fracture toughness. Due to CFRP’s low strain degradation characteristics, a wide variety of interlaminar damage can be sustained without any appreciable change to the physical structure itself. This damage suffered by the energy transfer from high- stress levels appears in the form of microporosity, crazes, microcracks, and delamination in the matrix material before any severe laminate damage is observed. This …

A Transport Property-Based Assessment Of Triple Ionic-Electronic Conductors As Cathodes For Protonic Ceramic Fuel Cells, Jack Harrison Duffy

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Triple ionic-electronic conductors (TIECs) are a widely studied class of materials for electrodes in ceramic electrochemical devices such as protonic ceramic fuel cells. These ceramics are perovskite-based and exhibit concurrent conductivity of protons, oxide ions, and electrons at elevated temperatures. Despite their numerous references in literature, few studies have systematically probed the fundamental surface- and bulk-level properties of TIECs. In this dissertation, dopant levels are systematically altered in the BaCo_0.4Fe_0.4Zr_0.1Y_0.1O_3-δ-type perovskite TIEC to reveal the effects on structure, transport properties, and durability of each material. The results of this work …

Glass Bubbles Grafted With Polymer Brushes For Liquid Hydrocarbon Fire Extinguishment, Randall Snipes

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The current most efficient solution to fighting liquid pool fires involves the use of firefighting foams containing fluorinated surfactants. The physiochemical properties of these foams are considerably different to all other currently available firefighting foams. Fluorinated surfactants lower the surface tension to a point where the foam solution draining from the foam structure forms a continuous aqueous film on the surface of a volatile hydrocarbon fuel, adding an additional barrier to fuel vapor diffusion to the burning fire. For this reason, these foams qualify as aqueous film forming foams (AFFFs). However, fluorinated compounds are extremely harmful for the environment due …

Multiscale Modeling And Gaussian Process Regression For Applications In Composite Materials, Joshua Arp

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An ongoing challenge in advanced materials design is the development of accurate multiscale models that consider uncertainty while establishing a link between knowledge or information about constituent materials to overall composite properties. Successful models can accurately predict composite properties, reducing the high financial and labor costs associated with experimental determination and accelerating material innovation. Whereas early pioneers in micromechanics developed simplistic theoretical models to map these relationships, modern advances in computer technology have enabled detailed simulators capable of accurately predicting complex and multiscale phenomena.

This work advances domain knowledge via two means: firstly, through the development of high-fidelity, physics-based finite …

Integrating Sensor Development, Risk Assessment, And Community Engagement To Support Environmental Justice In The Rural Community Of El Tiple, Colombia, David Bahamon Pinzon

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In Colombia, ethnic communities have traditionally been responsible stewards of natural resources. They recognize the importance of these resources for their livelihood, as well as their ancestral and cultural heritage. El Tiple, a rural Afro-Colombian community, has been affected by the incursion of private corporations that promoted the expansion of sugarcane monocrops in their territory. Since the introduction of the monoculture industry, local freshwater sources have been depleted due to intensive water use for irrigation of the sugarcane crops. Additionally, the intensive usage of agrochemicals has been linked with loss of native flora, damages to family farms, and pollution of …

Processing, Microstructure, And Properties Of Alumina Ceramics And Silica Glass During Laser Selective Additive/Subtractive Manufacturing, Xiao Geng

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The heterogeneous structure is essential to obtain excellent performance in many ceramics or glass devices/components. Conventional fabrication on these heterogeneous structure composites usually requires multiple treatments, specific molds for certain structures, and post-processing to get desired structure and properties. Therefore, the flexibility of the structure is limited, and a long fabrication time is required.

Integrated additive/subtractive manufacturing and laser-based technologies have caught researchers` attention in ceramics/glass heterogeneous structure fabrication. This is because the integration of additive manufacturing (AM) with subtractive manufacturing (SM) not only maintained the advantages of AM in rapid prototyping, design complexity, and reduced material wastage but also …

Iii-Nitride Triangular Microcantilevers For Multimodal Sensing Applications, Balaadithya Uppalapati

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Micro-electromechanical systems (MEMS)-based sensors have gained significant attention due to their ability to sense, measure, and process various physical, chemical, and biological parameters. The small size of MEMS sensors provides numerous advantages, including low power consumption, high sensitivity, and rapid response time, making them suitable for various applications in healthcare, automotive, aerospace, and consumer electronics.

In the past few years, AlGaN/GaN MEMS devices have been found to offer several advantages over silicon-based MEMS devices. One of the main advantages of AlGaN/GaN MEMS is their high sensitivity to surface stresses and forces due to their high piezoelectric coefficients. This sensitivity allows …

Mesoscale Modeling And Machine Learning Studies Of Grain Boundary Segregation In Metallic Alloys, Malek Alkayyali

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Nearly all structural and functional materials are polycrystalline alloys; they are composed of differently oriented crystalline grains that are joined at internal interfaces termed grain boundaries (GBs). It is well accepted that GB dynamics play a critical role in many phenomena during materials processing or under operating environments. Of particular interest are GB migration and grain growth processes, as they influence many crystal-size dependent properties, such as mechanical strength and electrical conductivity.

In metallic alloys, GBs offer a plethora of preferential atomic sites for alloying elements to occupy. Indeed, recent experimental studies employing in-situ microscopy revealed strong GB solute segregation …

Machine Learning-Based Data And Model Driven Bayesian Uncertanity Quantification Of Inverse Problems For Suspended Non-Structural System, Zhiyuan Qin

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Inverse problems involve extracting the internal structure of a physical system from noisy measurement data. In many fields, the Bayesian inference is used to address the ill-conditioned nature of the inverse problem by incorporating prior information through an initial distribution. In the nonparametric Bayesian framework, surrogate models such as Gaussian Processes or Deep Neural Networks are used as flexible and effective probabilistic modeling tools to overcome the high-dimensional curse and reduce computational costs. In practical systems and computer models, uncertainties can be addressed through parameter calibration, sensitivity analysis, and uncertainty quantification, leading to improved reliability and robustness of decision and …

Classification Of Electrical Current Used In Electroplastic Forming, Tyler Grimm

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Electrically assisted manufacturing (EAM) is the direct application of an electric current to a workpiece during manufacturing. This advanced manufacturing process has been shown to produce anomalous effects which extend beyond the current state of modeling of thermal influences. These purported non-thermal effects have collectively been termed electroplastic effects (EPEs).

While there is a distinct difference in results between steady-state (ideal DC) testing and pulsed current testing, the very definition of these two EAM methods has not been well established. A "long" pulse may be considered DC current; a "short" pulse may produce electroplastic effects; and even "steady-state" current shapes …

Elucidating The Mechanical And Transport Properties Of Lignin-Based Hydrogel Composites, Nicholas Gregorich

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The use of lignin in the fabrication of soft composites has become an emerging area of research in polymer science and polymer chemistry. These lignin-based materials present numerous benefits, notably, a reduction in the use of petroleum-based precursor, improved structural benefits to otherwise soft host polymers, as well as the inherent antimicrobial and antioxidant properties of lignin, making it suitable for biomaterials. Herein, we present two chemical reaction pathways of incorporating lignin that was fractionated and cleaned using the Aqueous Lignin Purification with Hot Agents (ALPHA) process into poly(vinyl alcohol) (PVA) hydrogel composites for aqueous-based separations. By leveraging the ALPHA …

Molecular Dynamics Simulation On Molybdenum Disulfide: Thermal-Mechanical Properties And Phase Transitions Under External Loading, Mahabubur Rahman

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Due to their remarkable properties, transition metal dichalcogenides (TMDs) have received much scientific interest throughout the past decade. Two layers of chalcogen atoms (S, Se, Te) sandwich a layer of transition metal atoms (Mo, W, Ta) to form the three-atom thick unit cell in TMDs. The interaction between TMD "single layers" is mediated by neighboring chalcogen planes and bonded by Van der Waals forces. Due to this weak out-of-plane interaction, bulk samples can be thinned down to a single layer by exfoliation. Among the TMDs, Molybdenum Disulfide (MoS₂) shows promise in the field of electronics, optics, and sensing …

Mesoscale Modeling Of Controlled Degradation In Polymer Networks And Melts, Vaibhav Palkar

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Controlled degradation of polymers finds various applications in fields ranging from the design of functional soft materials to recycling of polymers. In several of these applications, the characteristic length scale at which relevant processes occur ranges from nanometers to microns, typically referred to as the mesoscale. Although analytical models and continuum approaches inform our current understanding, analysis of degradation at the mesoscale is exceptionally limited. For modeling degradation at the mesoscale, we use the Dissipative Particle Dynamics (DPD) technique and the LAMMPS simulation software. Within the DPD framework, we model controlled degradation or the breaking of covalent bonds within a …

Design, Fabrication, And Characterization Of Conjugated Polymeric Electrochemical Memristors As Neuromorphic/Integrated Circuits, Benjamin Grant

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Organic materials are promising candidates for future electronic devices compared to the complementing inorganic materials due to their ease of processability, use, and disposal, low cost of fabrication, energy efficiency, and flexible nature toward implementation as flexible and non-conformal devices.With that in mind, electrochemical materials have been widely demonstrated with commercial use as sensors, displays, and a variety of other electronic devices. As Moore's law predicts the increase in the density of transistors on a chip, the requirement to create either smaller transistors or the replacement of the transistor device entirely is apparent. Memory resistors, coined ``memristor", are variable resistive …

Enhancing The Performance Of Poly(3-Hexylthiophene) Based Organic Thin-Film Transistors Using An Interface Engineering Method, Eyob Negussie Tarekegn

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An original design and photolithographic fabrication process for poly(3-hexylthiophene-2, 5-diyl) (P3HT) based organic thin-film transistors (OTFTs) is presented. The structure of the transistors was based on the bottom gate bottom contact OTFT. The fabrication process was efficient, cost-effective, and relatively straightforward to implement. Current–voltage (I-V) measurements were performed to characterize the primary electronic properties of the transistors. The measured mobility of these transistors was significantly higher than most results reported in the literature for other similar bottom gate bottom contact P3HT OTFTs. The higher mobility is explained primarily by the effectiveness of the fabrication process in keeping the interfacial layers …

Carbon Fibers From Bio-Based Precursors Derived From Renewable Sources, Sagar Kanhere

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Carbon fibers have the highest strength and modulus among all known fibers and are used as reinforcements in high-performance composites [1]. Carbon fibers also have a very low density relative to metals. Therefore, carbon fibers possess ultrahigh specific strength and modulus, which make them desirable for high-performance light-weight composites. A vast majority of commercial carbon fibers are produced from PAN precursors that are expensive, which limits the use of PAN-derived carbon fibers to aerospace applications (e.g., airplanes). However, for costsensitive applications, there is a need for low-cost, moderate performance carbon fibers. Lignin is a low-cost by-product of pulping and biorefining …

Active Rheological And Stiffening Control Of Cementitious Systems For Additive Manufacturing, Abdul Basit Peerzada

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Technological advancements and automation in the last two decades have made additive manufacturing of cementitious systems a reality. Among all the additive manufacturing techniques used for cementitious materials, layer-by-layer extrusion-based printing is the most used technique. For a layer-by-layer printing process, the requirements of cementitious materials vary from those of a conventional construction process. Typically, the cementitious materials are pumped to a print head using a positive-displacement pump. The pumpability of the cementitious material for a specific pumping system depends on its rheological properties. For effective pumping, the yield stress and plastic viscosity of a cementitious system should be low. …

Controlled Manipulation Of Droplets On Fibers: Fundamentals And Printing Applications, Yueming Sun

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In this dissertation, the drop interactions with a single fiber is discussed under an application angle for the development on new Drop-on-Demand (DOD) printhead using a fiber-in-a-tube platform[1] to print highly viscous materials[2]. To control the drop formation and manipulation on fiber, one needs to know how the fiber wetting properties and the fiber diameter influence drop formation. And then, one needs to know the effects of fiber movement in the device on drop formation. These two questions constitute the main theme of this dissertation.

Before this study, it was accepted that the liquids could not form axisymmetric droplets if …

3d Printed Multicomponent Polymer Based Materials Via Hybrid Filaments: Fabrication And Characterization, Erik Antonio

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Additive manufacturing, also known as 3D printing, promises a manufacturing revolution for both industry and academic circles. One of the most widely used method of 3D printing is Fused Deposition Modeling (FDM) or Fused Filament Fabrication (FFF), which requires a thermoplastic filament to be directed towards a heating block and then deposited via extrusion layer by layer to produce a finished part. However, there are significant issues with this technology, mainly a limitation on the materials available for use and mechanical property deficiencies when compared to traditional manufacturing. These issues are brought about by the temperature limited nature of the …

Computational Characterization Of Nonwoven Fibrous Materials: Transport And Wetting Properties, Fang Wang

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Nonwoven fibrous materials represent a platform of flexible material substrates. Nonwovens are widely used in the production of napkins, paper, filters, wound covers and face masks. In addition, for many applications, nonwoven materials interact with fluids. For example, in filtration applications, nonwoven materials are used to clean fluids containing solid particles or emulsified droplets. The filtration performance is affected not only by the geometrical arrangement of fibers in non-woven materials but also wettability of fibers. Understanding the transport properties of nonwoven materials and interactions between the dispersed droplets and solid substrate is crucial for the design and optimization of filter …

Modeling Phase Behavior And Agglomeration In Polymer Systems Incorporating Complex Architectures: From Bottlebrush To Lysozyme, Sidong Tu

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Using computational modeling, we focus on the phase behavior of multicomponent systems incorporating enzyme and bottlebrush polymers where the agglomeration of multiple components occurs. We start with all-atom molecular dynamics (MD) simulations of lysozyme and polyethylene glycol (PEG) based polymer mixture to understand the mechanisms of preservation of lysozyme bioactivity at high temperatures with addition of PEG-derived bottlebrushes. We show that the PEG part of bottlebrushes phase separates at high temperature and shells the access of water to lysozyme, resulting in the preservation of lysozyme secondary structures. We then developed a coarse-grained model using a Dissipative Particle Dynamics approach to …

Modeling Pattern Formation And Morphology Development In Polymer Networks, Yao Xiong

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Topography and morphology have considerable impacts on the functionalities of soft materials in an entire range of applications from smart optics to tissue engineering. Adapting theoretical and computational approaches, we focus on the dynamics of pattern formation and morphology development in polymer networks. This dissertation starts with studying the dynamical control of pattern formation in confined thermo-responsive poly(N-isopropylacrylamide) (PNIPAAm) gel films. The patterns are formed due to mechanical instabilities. We perform a linear stability analysis and identify the limits of this analysis in predicting pattern formation in gels. We then study the restructuring between patterns and hysteresis phenomena …