Materials Science and Engineering Commons^™

Characterization And Deportment Of Anode Impurities In Copper Electrorefining, Charles Michael Campbell

Doctoral Dissertations

The objective of this research was to study the deportment of the group 15 elements, arsenic, antimony and bismuth during copper electrorefining. Samples were collected from six industrial copper anodes with different compositions. Specimens were physically characterized and electro refined to understand the differences in the behavior of selected impurities. Inclusions in the cast metal structures were characterized using automated scanning electron microscopy and energy dispersive spectroscopy to measure and correlate their size, shape and composition. Arsenic and lead were found to have a positive correlation between concentration and size of inclusions. Using wavelength dispersive spectroscopy, multiphase inclusions were examined, …

Processing And Densification Of Multi-Phase High-Entropy Ceramics, Steven Smith

Doctoral Dissertations

"This work focuses on the processing and densification of multiphase, high-entropy ceramics to promote their use in friction stir welding technologies. Several high-entropy systems including high-entropy borides, carbides, and their composites were produced. Boro/carbothermal and carbothermal synthesis were used to produce high-entropy powders from oxide powder mixtures. Composites of high-entropy borides and high-entropy carbides were produced using a sequential approach to produce both phases. The carbide was first produced using carbothermal reduction, then ZrH2 and B4C were added to the carbide powder to produce the high-entropy boride phase. The resulting powder was densified by spark plasma sintering and pressureless sintering, …

Raft-Based Polymer And Nanoparticle Materials For Traumatic Brain Injury Treatment And Diagnostics, Aaron Priester

Doctoral Dissertations

"Traumatic brain injury (TBI) is a leading cause of death and disability worldwide. Neurodegenerative diseases that develop post-TBI can be, in part, attributed to DNA and cell-damaging reactive oxygen species (ROS) and lipid peroxidation products (LPOx). This thesis focused on overcoming the limits of current TBI material treatment approaches by employing a RAFT (reversible-addition fragmentation chain transfer) polymer approach that incorporated novel therapeutic, diagnostic and peptide-targeting monomers. An improved nanoparticle synthesis approach was also developed. Thiol and thioether-containing monomers neutralize both ROS and LPOx while Gd-containing monomers with enhanced magnetic resonance imaging (MRI) contrast provide diagnostics and material tracking in …

Effect Of Thermomechanical Processing And Heat Treatment On The Microstructure And Mechanical Properties Of Ultra-High Strength Steels, Rogerio Antao Cardoso

Doctoral Dissertations

"A martensite-based and an austenite-based Fe-Mn-Al steels were investigated aiming the pilot-scale production of steels that meet military specifications for Rolled Homogeneous Armor (RHA) and High-hardness Armor (HHA) plates. Each material underwent specific thermomechanical processes and the following hardness, Charpy V-notch (CVN) impact toughness at -40 °C and room-temperature tensile properties were correlated with the resulting microstructures.

Specimens of the martensitic steel were austenitized at 1010 °C, quenched and tempered at 150, 175, 200, 225 and 250 °C for times up to four hours. As for the Fe-Mn-Al steel, its hot rolling schedule was design to promote strain accumulation in …

A Pyrrole Modified 3,4-Propylenedioxythiophene Conjugated Polymer As Hole Transport Layer For Efficient And Stable Perovskite Solar Cells, Yuanhao Tang, Ke Ma, Wenhao Shao, Yoon Ho Lee, Ashkan Abtahi, Jiaonan Sun, Hanjun Yang, Aidan H. Coffey, Harindi R. Atapattu, Mustafa Ahmed, Qixuan Hu, Wenzhan Xu, Raunak Dani, Limei Wang, Chenhui Zhu, Kenneth R. Graham, Jianguo Mei, Letian Dou

Chemical and Materials Engineering Faculty Publications

Despite the outstanding electric properties and cost-effectiveness of poly- (3,4-ethylenedioxythiophene) (PEDOT) and its derivatives, their performance as hole transport layer (HTL) materials in conventional perovskite solar cells (PSCs) has lagged behind that of widely used spirobifluorene-based molecules or poly(triaryl amine). This gap is mainly from their poor solubility and energy alignment mismatch. In this work, the design and synthesis of a pyrrole-modified HTL (PPr) based on 3,4-propylenedioxythiophene (ProDOT) are presented for efficient and stable PSCs. As a result of the superior defects passivation ability, excellent contact with perovskite, enhanced hole extraction, and high hydrophobicity, the unencapsulated PPr-based PSCs showed the …

Analysis Of Tar And Oil Derived From Pyrolysis And Copyrolysis Of Waste Plastics And Biomass, Anitha Shankaralinge Gowda, Dimitrios Karadimas, Jeffrey Seay

Chemical and Materials Engineering Faculty Publications

Pyrolysis has been proposed as a potential technology for managing the growing volume of plastic waste generated worldwide. Co-pyrolysis of plastic waste with biomass is a promising technology for generating fuel and chemical products. However, this process generates tar as a waste product. The chemical properties of this tar have yet to be thoroughly analyzed. This study presents the results of gas chromatography–mass spectrometry (GC–MS), Fourier-transform infrared spectroscopy (FTIR), and thermogravimetric analysis (TGA) of oil and tar obtained from the pyrolysis of pure plastics including high-density polyethylene (HDPE), low-density polyethylene (LDPE), polyethylene (PE), polystyrene (PS), and plastic-biomass mixtures. GC–MS analysis …

Membrane Filtration Of Nanoscale Biomaterials: Model System And Membrane Performance Evaluation For Aav2 Viral Vector Clarification And Recovery, Mara Leach, Kearstin Edmonds, Emily Ingram, Rebecca E. Dutch, Ranil Wickramasinghe, Malgorzata Chwatko, Dibakar Bhattacharyya

Chemical and Materials Engineering Faculty Publications

The growing demand for viral vectors as nanoscale therapeutic agents in gene therapy necessitates efficient and scalable purification methods. This study examined the role of nanoscale biomaterials in optimizing viral vector clarification through a model system mimicking real AAV2 crude harvest material. Using lysed HEK293 cells and silica nanoparticles (20 nm) as surrogates for AAV2 crude harvest, we evaluated primary (depth filters) and secondary (membrane-based) filtration processes under different process parameters and solution conditions. These filtration systems were then assessed for their ability to recover nanoscale viral vectors while reducing DNA (without the need for endonuclease treatment), protein, and turbidity. …

Fundamental And Application Of Co-Assembly Of Peptides And Proteins: Experiment And Computation, Newton A. Ihoeghian, Qing Shao

Chemical and Materials Engineering Faculty Publications

Peptides and proteins can co-assemble into various nanostructures based on complementary non-covalent interactions such as electrostatic forces, hydrogen bonding, and hydrophobic associations. These co-assemblies create a design space of functional materials for a wide spectrum of energy, environmental, and biomedical applications. This review focuses on the fundamentals and applications of three co-assembling systems: ultra-short peptides, peptides, and proteins. We will present and discuss experimental studies demonstrating applications in drug delivery, tissue engineering, and biomaterials development. We will also discuss the contribution of computational research, including molecular dynamics simulations and machine learning, to enhance our understanding of assembly mechanisms. Integrating experimental …

A Comparison Of Microcrystal Electron Diffraction And X-Ray Powder Diffraction For The Structural Analysis Of Metal-Organic Frameworks, Erik Biehler, Silvana Pagola, Daniel Stam, Johannes Merkelbach, Christian Jandl, Tarek M. Abdel-Fattah

Chemistry & Biochemistry Faculty Publications

This study successfully implemented microcrystal electron diffraction (microED) and X-ray powder diffraction (XRPD) for the crystal structure determination of a new phase, TAF-CNU-1, Ni(C₈H₄O₄)·3H₂O, solved by microED from single microcrystals in the powder and refined at the kinematic and dynamic electron diffraction theory levels. This nickel metal–organic framework (MOF), together with its cobalt and manganese analogues with formula M (C₈H₄O₄)·2H₂O with M = Mn ^II or Co^II, were synthesized in aqueous media as one-pot preparations from the corresponding hydrated metal chlorides and sodium terephthalate, as a promising `green' synthetic route to moisture-stable MOFs. The crystal structures of the …

Metathesis Or Isomerization: Counteranion Directed Reactivity Of Grubbs I, Paul D. Miller, Joe B. Calkins, Craig A. Bayse, Trandon A. Bender

Chemistry & Biochemistry Faculty Publications

Catalytic isomerization of alkenes has garnered interest for many years, but there are remaining challenges when it comes to thermodynamic selectivity and uncontrolled isomerization. Nonbiased substrates, be it sterically or thermodynamically, remain challenging for many catalysts, with a few examples available in the more modern literature. Herein, we present the controlled isomerization of linear alkenes with a cocatalytic mixture of commercially available catalyst and reagents: Grubbs I, tris(pentafluorophenyl)borane, and triethylsilane. DFT calculations indicate that an observed alkylidyne hydride intermediate is in rapid equilibrium with an alkylidene that binds the alkene substrate. This combination results in a pi-acidic metal and a …

Amphiphilic Tripodal Metalloligands: Synthesis, Coordination Chemistry And Preliminary Catalysis, Austin W. Medley, Paul D. Miller, Craig A. Bayse, Robert D. Pike, Trandon A. Bender

Chemistry & Biochemistry Faculty Publications

Triscatecholate binding has been widely studied in the context of biological systems, supramolecular chemistry, and weak aggregate interactions. However, the utilization of the triscatecholate binding motif for the preparation of metalloligands remains unexplored. Herein, we report the synthesis, structural characterization, and functional studies of a triscatecholate ligand with an appended pyridyl residue as a candidate for such applications. Our findings reveal that the selective formation of cis-triscatecholate-based metalloligands is influenced by electronic effects on the catecholate anions, enabling the targeted synthesis of Al(III), Ga(III), and In(III) triscatecholate metalloligands capable of binding Zn(II) and Ru(II) at the appended pyridyl moiety for …

Flexural Response Of Inflatable Drop-Stitch Panels, Alex J. Watterson

Open Access Master's Theses

All CUI (Controlled Unclassified Information) is U.S. government property and has been removed from this thesis.

Evaluation Of Polymer Coated Fabrics Subjected To Various Multiaxial Stress States, Shane Marx

Open Access Master's Theses

All CUI (Controlled Unclassified Information) is U.S. government property and has been removed from this thesis.

Atomistic Calculations Characterizing Thermodynamic And Mechanical Properties Of High Entropy Alloys, Sarah O'Brien

Theses and Dissertations--Chemical and Materials Engineering

High entropy alloys (HEAs) are an exciting new class of materials. HEAs combine multiple elements in concentrations ranging from 5% to 35%. The large variation in concentrations increases the alloy’s entropy, stabilizing it. The stabilization is due to both an increased configurational entropy and increases the vibrational entropy when the alloy is at higher temperatures. This was seen for both MoNbTaW and FeNiMoW by combining the atomistic techniques: density functional theory (DFT) and density functional perturbation theory (DFPT). For MoNbTaW, the composition plays a large role in stabilizing the alloy over the configuration of elements. For the three-phase alloy, FeNiMoW, …

Analysis Of Ptfe Radial Lip Seals For Wheel Bearing Applications, Madison Vogt

Theses and Dissertations--Mechanical and Aerospace Engineering

A numerical analysis was conducted to investigate the viscoelastic effects of nonlinear materials on the sealing zone and contact pressure distribution of radial lip seals in a conventional geometric topology. The use of nonlinear materials in radial lip seal applications is desirable to improve operation and reliability of rotating machinery due to their high operating temperatures, chemical compatibility, and low friction coefficients. Examples include, but are not limited to, seals within industrial air compressors, turbine engines, aircraft landing systems, chemical processing equipment, and Freon pumps. This work focuses on analyzing the nonlinear viscoelastic response of pure Polytetrafluoroethylene (PTFE) and PTFE …

Growth Kinetics And Stability Of Metal Halide Perovskite Nanocrystals: Influence Of Stirring Speed And Water Exposure, You-Lin Huang

Theses and Dissertations--Mechanical and Aerospace Engineering

Cesium lead bromide (CsPbBr₃) perovskite nanocrystals (NCs) have garnered significant interest due to their exceptional optoelectronic properties, including high photoluminescence quantum yield, tunable bandgap, and excellent carrier dynamics. These attributes make them promising candidates for applications in light-emitting diodes, photovoltaics, and sensing technologies. However, optimizing their synthesis and improving their environmental stability remain critical challenges. This dissertation explores the growth kinetics of CsPbBr₃ NCs, focusing on the effects of stirring speed and water exposure on their structural and optical properties.

The synthesis of CsPbBr₃ NCs was performed using both mechanochemical (MC) and antisolvent methods, enabling an …

Fabricating Silver-Ceria Polymer Nanocomposite Scaffolds For Biomedical Therapeutic Applications, Shreya S. Pawar

Honors Undergraduate Theses

Improper healing of bone fractures and limited regeneration of bone following bone tumor resection remain a prevalent complication worldwide. Long-term effects of this include joint instability, limited movement, and arthritis. Bone infections (osteomyelitis), reactive oxygen species (ROS) generation via excessive inflammation, and underlying conditions such as osteoporosis can contribute to suboptimal bone tissue regeneration. ROS accumulation stimulates osteoblast apoptosis, while promoting osteoclast differentiation. These processes inhibit mineralization and osteogenesis. Conventional therapeutics involve the utilization of drugs and bone grafts. However, these approaches pose limitations and can result in subsequent complications. Microbial infections, ROS accumulation, and excessive inflammations are factors that …

Distributed Sapphire Fiber Bragg Grating-Based Thermal Profiling Of Submerged Entry Nozzles, Farhan Mumtaz, Hanok W. Tekle, Bohong Zhang, Xiaodong Li, Sunday Abraham, Bryant Mathis, Jeffrey D. Smith, Ronald J. O'Malley, Jie Huang

Electrical and Computer Engineering Faculty Research & Creative Works

This article focuses on the application of sapphire fiber Bragg gratings (FBGs) for instrumentation in submerged entry nozzles (SENs) within the steelmaking industry. The SEN is pivotal for transferring molten steel from a tundish to a mold, while preventing the infiltration of oxygen and nitrogen from the surrounding environment. Maintaining optimal flow conditions in the mold is crucial for ensuring casting process stability and maintaining high-quality steel. Sapphire FBG sensors have been instrumented in SENs to enable distributed thermal mapping for monitoring the health of the SEN. The optical sensor comprises three cascaded sapphire FBGs inscribed using femtosecond (FS) laser …

Advancing Temperature Monitoring Of The Bottom Anode In A Direct Current Electric Arc Furnace Operations With Distributed Optical Fiber Sensors., Ogbole Collins Inalegwu, Rony Kumer Saha, Yeshwanth Reddy Mekala, Farhan Mumtaz, Nicholas Dionise, Zane Voss, Jeffrey D. Smith, Ronald J. O'Malley, Rex E. Gerald, Jie Huang

Electrical and Computer Engineering Faculty Research & Creative Works

The bottom anode in the Direct Current Electric Arc Furnace (DC EAF) is critical for completing the electrical circuit necessary for sustaining the arc within the furnace. For pin-type bottom anodes, monitoring of the temperature of select pins instrumented with thermocouples is performed to track bottom wear in the EAF and inform the operator when the furnace should be removed from service. This work presents the results from a plant trial using distributed temperature monitoring of bottom anode pins in a 165-ton DC EAF over a two-month service period utilizing two optical fiber sensing techniques: fiber Bragg grating (FBG) and …

Polymeric Nanocomposites-Based Advanced Coatings For Antimicrobial And Antiviral Applications: A Comprehensive Overview, Rachid Amrhar, Jaspal Singh, Mostafa Eesaee, Pascal Carrière, Alireza Saidi, Phuong Nguyen-Tri

Revues de littérature, synthèses de connaissances

The rise in microbial infections and viral outbreaks has accelerated the development of advanced antibacterial and antiviral coating that effectively minimize infection risks. Amidst rising global health concerns due to infectious diseases, these coatings have emerged as vital solutions for surface protection across various settings. This review focuses on the recent development and in-depth analysis includes synthesis process, inactivation mechanism in photoreactive antimicrobial and antiviral bio-coatings. This review comprehensively explores the development of different nanocomposite materials, including polymers based on metal oxide nanoparticles, metal nanoparticles, graphene-based materials, and organic-inorganic composites. Their practicality and compatibility with diverse surfaces such as ceramics, …