Metallurgy Commons^™

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 …

Understanding Roof Systems Of Metal Buildings, Michael W. Seek, Vincent E. Sagan

Engineering Technology Faculty Publications

[Introduction] A metal building is a system with complex behavior that, when properly accounted for, provides an efficient structural solution. To help the engineer properly design for this behavior, the Metal Building Manufacturers (MBMA) has recently released the Roof Framing Design Guide for Metal Building Systems, 2nd Edition (Roof Framing Design Guide).

The Effect Of Carbon Equivalent And Nodularity On Multi-Axial Casting Wall Movement During Spheroidal Graphite Iron Solidification And Cooling, Noah J. Brack, Mingzhi Xu, Jingjing Qing, Simon Lekakh

Materials Science and Engineering Faculty Research & Creative Works

Spheroidal graphite iron, also known as ductile iron, is an iron–carbon casting alloy used in industry for its good castability, balanced mechanical properties, and low cost. Ductile iron consists of round graphite nodules in an iron matrix. During solidification and cooling, ductile iron castings experience dynamic volume changes due to the precipitation of graphite nodules and formation of austenite. These dynamic volume changes can distort external casting surfaces, causing swell and shrinkage porosity. A novel apparatus was custom-built to capture the casting wall movement in real time along three axes. This study found that casting expansion increased with carbon equivalent …

A Novel Technique For Improved Measurement Of Graphite And Inclusions In Ductile Iron Contaminated By Boron, Chase Schroeder, Colleen Lehrer, Simon Lekakh, Laura Bartlett

Materials Science and Engineering Faculty Research & Creative Works

The highly heterogeneous microstructure of ductile iron in casting includes graphite particles, non-metallic inclusions, microporosity, and other features, such as carbides distributed in the ferrite–pearlite matrix. Determination and comprehensive quantification of microstructural features are practically important however challenging. An advanced methodology based on an automated SEM/EDX analysis was developed and compared to the standard optical imaging method. In addition to backscattered electron contrast, sensitive to atomic number, a novel methodology added EDX data to identify and classify the multiple structural features at micron resolution thresholding. To quantify the shape of individual phases, the eight chord raster algorithms was used and …

Controlling Nitrogen Pickup During Induction Melting Of Ultrahigh-Strength Cr-Ni-Mo-V Steels, Kingsley T. Amatanweze, Viraj A. Athavale, Mario F. Buchely, Laura N. Bartlett, Ronald J. O'Malley, Daniel M. Field

Materials Science and Engineering Faculty Research & Creative Works

Nitrogen pickup during air induction melting can result in porosity and a loss of fracture toughness in ultrahigh-strength quenched and tempered steel castings. Nitrogen atoms are easily adsorbed into liquid steel upon exposure to the air, and argon shrouding alone has limited effectiveness. Previous studies have shown that proper charge sequencing and maintaining a high amount of dissolved oxygen in the melt prior to tapping and deoxidation can limit nitrogen pickup in the melt. In the current study, the effect of melt practice and charging procedure on nitrogen pickup was studied as a function of hold time in a series …

Parametric Analysis Of Water Jet Descaling Efficiency Of Reheated Continuously Cast Thin Slab, Tochukwu P. Ojiako, Mario F. Buchely, Simon Lekakh, Ronald J. O'Malley, Richard Osei, Taha Tayebali

Materials Science and Engineering Faculty Research & Creative Works

Efficient oxide scale removal is critical for maintaining surface quality and process efficiency in steel manufacturing. This study optimizes water jet descaling by evaluating the performance of flat and rotary jet nozzles under varying process parameters. Using a combined approach of experimental analysis and computational fluid dynamics, it investigates the influence of pressure (138–275 bar), lead angle (0°, 15°, 25°), working distance (50–100 mm), and spray angle (15°–25°) on descaling efficiency. Findings indicate that flat jet nozzles achieve superior performance at short working distances due to concentrated impact forces, while rotary jet nozzles sustain efficiency over extended distances through dynamic …

Roadmap To 100 Gwdc: Scientific And Supply Chain Challenges For Cdte Photovoltaics, B. Edward Sartor, Samantha B. Reese, Lorelle M. Mansfield, Ryan Muzzio, Chun Sheng Jiang, Eric Colegrove, John S. Mangum, Camden L. Kasik, Daniel Z. Shaw, James R. Sites, Ramesh G. Dhere, Alex B. Goldstone, Michael S. Moats

Materials Science and Engineering Faculty Research & Creative Works

This roadmap highlights pathways to expand the CdTe module manufacturing capacity per year to 100 GWDC by 2030 by improving Te extraction from existing supply chains, minimizing Te usage in modules by leveraging thinner absorbers, and focusing research efforts in key areas to improve module efficiencies. Both scientific and supply chain innovations will be necessary to maintain the high compound annual growth rate of the CdTe photovoltaic (PV) industry and cement its role as a key technology for multi-TW-scale PV deployment.

Effect Of Gating Design On Filling And Inclusion Control In An Al-Killed Cr-Mo-Ni Steel, Kingsley T. Amatanweze, Koushik Balasubramanian, Soumava Chakraborty, Viraj A. Athavale, Mario F. Buchely, Laura N. Bartlett, Ronald J. O'Malley, Daniel M. Field, Krista R. Limmer, Katherine M. Sebeck

Materials Science and Engineering Faculty Research & Creative Works

The effect of gating system design on the inclusion population and size distribution in an aluminum-killed low-alloy advanced high strength steel casting was studied. A mold with four different gating systems: pressurized and non-pressurized with side risers, naturally pressurized with a side riser, and naturally pressurized with a top riser, was designed using computational fluid dynamics and solidification software. The design allowed inclusion populations in castings produced with each gating system to be compared during the same pouring event. Samples taken from different positions just below the top surface of each casting were analyzed using an SEM/EDS system with automated …

Iron Ore Tailings Reprocessing By Electrostatic Separation Plus Two Stages Froth Flotation, Vincent Bailey Arohunmolase

Dissertations, Master's Theses and Master's Reports

The reprocessing of tailings is crucial for recovering valuable iron and reducing the environmental impact associated with tailings disposal. This study investigates the practicality of reprocessing tailings to enhance iron oxide content, combining electrostatic separation with a two-stage froth flotation process using oleic acid (direct flotation) and amine (reverse flotation). The primary goal is to efficiently recover valuable iron from tailings, thereby reducing waste and promoting sustainable resource utilization. The process aims to upgrade the iron oxide content to around 93-99% Fe₂O₃, making the recovered material suitable for the production of direct-reduced iron.

Electrostatic separation was …

Investigation Using Single Point Incremental Forming (Spif) To Fabricate Patient-Specific, Titanium Orbital Floor Implants, Elizabeth M. Mamros, Lauren E. Blaha Md, Christian A. Kauffman Md

Faculty Conference Papers and Presentations

The floor of the human orbit is composed of thin bone that is prone to traumatic fracture. This leads to a loss of support for the eye, which can cause vision changes. Therefore, fractures may need surgical reconstruction using a thin, sheet-like implant. Titanium implants are available off-the-shelf in standard sizes, but fitting to each patient’s unique anatomy requires surgeons to cut, file, and bend these plates. This can be time-consuming and imprecise. To both save time and ensure a perfect fit for the patient, a custom plate can be created prior to surgery. This investigation focuses on single-point incremental …

Evaluating The Effectiveness Of Stay-In-Place Forms To Improve The Tosional Stability Of Box Beam Bridges During Erection, Karl E. Barth, Michael W. Seek, Gregory K. Michaelson, Dimitra Pyrialakou, Brook T. Woldegabriel

Engineering Technology Faculty Publications

Cold-formed tub girders provide an effective steel solution for short-span bridges. The girders are often delivered with an open top with stay-in-place forms installed on site. Walkways may be installed to the side of the girder that can induce significant torsion rotations in the open cross section. Full scale tests on girder specimens have shown that installing one or two panels of stay in place forms at the ends of the girder can significantly reduce the torsion rotation of the girder by providing warping resistance. Cantilever tests on the stay in place forms are performed to investigate the influence of …

Characterization Of The Solid-State Bonding For Simulated Charge And Seam Welds In The Porthole Die Extrusion Process, Randall L. Bowers

Theses and Dissertations--Chemical and Materials Engineering

The isothermal (ISO-T) compression configuration is ideal for utilizing as a material input of flow stress at temperature and strain rate in models of the porthole die extrusion process due to the isothermal nature of the test. Micro-tensile testing was conducted to validate the solid-state welding integrity of the ISO-T samples at various temperatures and strain rates. Results of the mechanical testing were correlated with fractography and microstructural evaluations of the welds to confirm bonding behavior. Both clean interface conditions and oxidation and lubrication layers were evaluated to simulate the difference of seam and charge welds in the process. Results …

Combinatorial Thin Film Approach To Accelerate Materials Discovery: Development Of Nanoporous And Bulk Multi-Principal Element Alloys, Tibra Das Gupta

Theses and Dissertations--Chemical and Materials Engineering

Multi-principal element alloys (MPEAs) have garnered significant attention in materials science due to their potential for exhibiting a combination of desirable properties stemming from their unique configurational entropy. While early research focused on equiatomic compositions, recent studies have indicated that non-equiatomic MPEAs may offer superior mechanical performance. However, the identification of optimal non-equiatomic compositions remains challenging due to the vast compositional space and the reliance on time-consuming and computationally expensive methods. This dissertation presents a combinatorial thin film approach as a rapid and efficient strategy for discovering two types of materials: nanoporous and bulk MPEAs.

The first study explores the …

Microstructural Characterization Of Complex Metal Alloy Systems With A Focus On Electron Microscopy, Alexandra Allamon

Theses and Dissertations--Chemical and Materials Engineering

Multi-principal element alloys (MPEAs)/high-entropy alloys (HEAs) are a class of materials that provide novel and superior combinations of properties, with promise for use in challenging application areas that many of the current established materials cannot fit. With a higher number of constituent elements, many of the newly created alloys are compositionally complex in nature, known to contain combinations of relatively soft FCC phases, hard BCC phases, and, in some cases, even harder intermetallic phases. Microstructural study of these new materials is essential to understanding the enhanced properties they may possess, but their complexity can make this study much more challenging …

Bayesian Alloy Design With Additive Synthesis, Michael R. Sulwer

Dissertations, Master's Theses and Master's Reports

To reduce carbon emissions and increase power out, steam powerplants need to increase the operating temperatures and pressures of steam turbines to improve efficiency. This necessitates the development of high temperature alloys with superior strength and stability. This research aims to design a class of solid solution High Entropy Alloys (HEAs) to exceed the high temperature performance of commercial alloys like Haynes 230 while maintaining comparable costs for Advanced Ultra Supercritical (A-USC) steam cycles. This project integrates Bayesian optimization and Calculation of Phase Diagrams (CALPHAD) within an Integrated Computational Materials Engineering (ICME) framework to predict and optimize key material properties: …

Advanced Air Preheater Sealing Systems For Enhanced Efficiency And Reliability In Thermal Power Plants, Pavan Kumar Ravulaparthy

Theses and Dissertations

Global electricity generation still relies heavily on thermal power plants, which consume vast amounts of fuel and emit significant amounts of carbon dioxide. A major but often overlooked source of inefficiency in these plants lies within the rotary regenerative air preheater (RAPH), a critical heat-exchange component where air leakage can exceed 20% in aging units. This leakage increases fuel consumption, parasitic fan power, and CO₂ emissions, while degrading boiler reliability.

This research introduces advanced adaptive sealing systems designed to mitigate these losses by dynamically compensating for rotor eccentricity, thermal distortion, and wear under harsh operating conditions. Brush seals, composed of …

Pulsed Arc Additive Manufacturing Of A Functionally Graded Er2209 Duplex Stainless Steel And Hsla-100 Structure: Morphology, Characterization, And Mechanical Performance, Stevens G. Hill Jr

College of Graduate Studies: Theses & Dissertations

Wire arc additive manufacturing is a process well suited to the efficient production of large structures. Duplex stainless steel exhibits high corrosion resistance and good strength which can be highly beneficial for industrial use. However, its use is limited due to its cost and complexity in controlling microstructure to achieve desired properties. In many cases, it can be highly beneficial to manufacture a component which uses specialty steel grades such as duplex stainless steel only where necessary, and utilizes more affordable, commonly available steels for reinforcement or bulk structural support. A functionally graded material satisfies these requirements by providing a …

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, …

Preparation Of Mocvd-Grown Photocathodes Containing A Strained Gaas/Gaasp Superlattice, G. Blume, A. Masters, J. Grames, M. Stutzman, M. Grau, S. Marsillac

Physics Faculty Publications

In this work, we investigate heat cleaning options for high-polarization GaAs/GaAsP strained-superlattice (SSL) photocathodes with a distributed Bragg reflector (DBR) that were grown using metalorganic chemical vapor deposition (MOCVD). This was done using a microMott polarimeter at Jefferson Lab to optimize both quantum efficiency and polarization. The fabrication process for MOCVD-grown photocathodes does not allow for the inclusion of an arsenic cap, contrary to what is done when fabricating photocathodes using molecular-beam epitaxy (MBE). Without proper preparation, the performance of MOCVD-grown photocathodes can be limited due to surface contamination. Here, we varied both duration and temperature of the heat cleaning …

Mxene-Based Materials For Enhanced Water Quality: Advances In Remediation Strategies, Ali Mohammad Amani, Milad Abbasi, Atena Najdian, Farzaneh Mohamadpour, Seyed Reza Kasaee, Hesam Kamyab, Shreeshivadasan Chelliapan, Mostafa Shafiee, Lobat Tayebi, Ahmad Vaez, Atefeh Najafian, Ehsan Vafa, Sareh Mosleh-Shirazi

Electrical & Computer Engineering Faculty Publications

Two-dimensional MXenes are promising candidates for water treatment because of their large surface area (e.g., exceeding 1000 m²/g for certain structures), high electrical conductivity (e.g., >1000 S/m), hydrophilicity, and chemical stability. Their strong sorption selectivity and effective reduction capacity, exemplified by heavy metal adsorption efficiencies exceeding 95 % in several studies, coupled with facile surface modification, make them suitable for removing diverse contaminants. Applications include the removal of heavy metals (e.g., achieving >90 % removal of Pb(II)), dye removal (e.g., demonstrating >80 % removal of methylene blue), and radioactive waste elimination. Furthermore, 3D MXene architecture exhibit enhanced performance in antibacterial …

The Impact Of Chromium Ion Implantation On Ald Lead Chalcogenide Thin Films, Haifeng Cong, Charlotte Poterie, Jean Francois Barbot, Helmut Baumgart

Electrical & Computer Engineering Faculty Publications

Inherently the synthesis of semiconducting materials by Atomic Layer Deposition ALD produces only intrinsic undoped films which require the introduction of small amounts of impurities for doping to change them into extrinsic semiconductors. Apart from various in-situ diffusion doping techniques like delta doping during the ALD process, post deposition doping by ion implantation affords the best control of dose and doping profile. The present study investigates the impact of 180 keV Cr⁺ ion implantation on the properties of semiconducting ALD lead chalcogenide thin films to improve their thermoelectric figure of merit. The implantation was accomplished with 180 keV Chromium …

Potential Of Lidar And Hyperspectral Sensing For Overcoming Challenges In Current Maritime Ballast Tank Corrosion Inspection, Sergio Pallas Enguita, Jiajun Jiang, Chung-Hao Chen, Samuel Kovacic, Richard Lebel

Electrical & Computer Engineering Faculty Publications

Corrosion in maritime ballast tanks is a major driver of maintenance costs and operational risks for maritime assets. Inspections are hampered by complex geometries, hazardous conditions, and the limitations of conventional methods, particularly visual assessment, which struggles with subjectivity, accessibility, and early detection, especially under coatings. This paper critically examines these challenges and explores the potential of Light Detection and Ranging (LiDAR) and Hyperspectral Imaging (HSI) to form the basis of improved inspection approaches. We discuss LiDAR’s utility for accurate 3D mapping and providing a spatial framework and HSI’s potential for objective material identification and surface characterization based on spectral …

Quantifying Trapped Magnetic Vortex Losses In Niobium Resonators At Mk Temperatures, D. Bafia, B. Abdisatarov, R. Pilipenko, Y. Lu, G. Eremeev, A. Romanenko, A. Grassellino

Electrical & Computer Engineering Faculty Publications

Trapped magnetic vortices in niobium introduce microwave losses that degrade the performance of superconducting resonators. While such losses have been extensively studied above 1 K, we report here their direct quantification in the millikelvin and low-photon regime relevant to quantum devices. Using a high-quality factor 3D niobium cavity cooled through its superconducting transition in controlled magnetic fields, we isolate vortex-induced losses and find the resistive component of the sensitivity to trapped flux S to be approximately 2 n Ω/mG at 10 mK and 6 GHz. The decay rate is initially dominated by two-level system (TLS) losses from the native niobium …

Fabrication And Characterization Of Cast Copper Heatsinks For Computer Chip Cooling, John James Recktenwald

Graduate Theses, Dissertations, and Problem Reports (ETD)

Humanity has worked copper for millennia, from primitive tools in prehistory to the wires and cooling solutions facilitating the modern digital age. While high performance fin style heatsinks are commonplace, more complex heatsink geometries in high performance applications are rare due to manufacturing challenges. In this study a casting process was developed to fabricate copper pin fin heatsinks. To assess the performance of heatsinks fabricated using the process three pin fin heatsinks were fabricated, one machined from a commercially manufactured billet, one machined from a cast block, and one cast directly to final shape. Each of the three heatsinks were …