Materials Science and Engineering Commons^™

Effect Of Bioactive Glass On Pxdda / Pxdda-Co-Pla Nanocomposite For Hard Tissue Reconstruction: Synthesis And Characterization, Ehsan Vafa, Lobat Tayebi, Fatemeh Azizli, Somayeh Parham, Katayoon Rezaeeparto, Sedigheh Azadi, Ali Mohammad Amani, Mohammad Javad Azizli, Hesam Kamyab, Shreeshivadasan Chelliapan, Saravanan Rajendran

Electrical & Computer Engineering Faculty Publications

Newer bone graft materials face various challenges in achieving optimal mechanical strength, bioactivity, and antibacterial action simultaneously, which can result in suboptimal regeneration outcomes and increased infection risks In the present study, we developed a novel nanocomposite of poly (xylitol-co-dodecanedioic acid) (PXDDA) and poly (lactic acid) (PLA) with 1-10 wt% incorporation of bioactive glass (BG), utilizing a a PXDDAco-PLA compatibilizer for maintaining homogeneity. Extensive characterization techniques including, Fourier infrared spectroscopy (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Brunauere Emmette Teller (BET), Proton Nuclear Magnetic Resonance (¹H NMR) and contact angle measurements, revealed that the addition …

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 …

Supercapacitors With Cotton Shell-Derived Activated Carbons And Porous Polymer Electrolyte Films, Saurabh Singh, Yulin Zhang, S. A. Hashmi, Fuqian Yang

Chemical and Materials Engineering Faculty Publications

Some of the well-known challenges in the field of supercapacitors (SCs), or more specifically, electrical double-layer capacitors (EDLCs), such as low energy density and high cost, have proven to be major barriers to their widespread market success despite having some excellent electrochemical merits such as high-power density and good cyclic stability. In this work, efforts have been made to overcome these gaps and eventually enhance the performance of EDLCs via a cost-effective and eco-friendly approach. To fabricate these EDLCs, a bio-waste, namely, cotton-shell-derived activated carbons (ZnACs) (activated with ZnCl2), was used in a mass ratio of 1 : 2 for …

Improvement Of Cellular Pattern Organization And Clarity Through Centrifugal Force, Lauren E. Mehanna, James D. Boyd, Shelley Remus-Williams, Nicole M. Racca, Dawson P. Spraggins, Martha E. Grady, Brad J. Berron

Chemical and Materials Engineering Faculty Publications

Rapid and strategic cell placement is necessary for high throughput tissue fabrication. Current adhesive cell patterning systems rely on fluidic shear flow to remove cells outside of the patterned regions, but limitations in washing complexity and uniformity prevent adhesive patterns from being widely applied. Centrifugation is commonly used to study the adhesive strength of cells to various substrates; however, the approach has not been applied to selective cell adhesion systems to create highly organized cell patterns. This study shows centrifugation as a promising method to wash cellular patterns after selective binding of cells to the surface has taken place. After …

Integrating Protein Language Model And Molecular Dynamics Simulations To Discover Antibiofouling Peptides, Ibrahim A. Imam, Shea Bailey, Duolin Wang, Shuai Zeng, Dong Xu, Qing Shao

Chemical and Materials Engineering Faculty Publications

Antibiofouling peptide materials prevent the nonspecific adsorption of proteins on devices, enabling them to perform their designed functions as desired in complex biological environments. Due to their importance, research on antibiofouling peptide materials has been one of the central subjects of interfacial engineering. However, only a few antibiofouling peptide sequences have been developed. This narrow scope of antibiofouling peptide materials limits their capacity to adapt to the broad spectrum of application scenarios. To address this issue, we searched for antibiofouling peptides in the vast sequence pool of the microbiome library using a combination of deep learning-based high-throughput search and molecular …

Clarifying The Role Of Η-Phase With Varying Chemistry On Localised Corrosion Of A Cu-Containing 7xxx Al-Alloy By Quasi-In-Situ Tem, S. K. Kairy, Y. Wu, S. Turk, A. Shekhter, Rudolph Buchheit, N. Birbilis

Chemical and Materials Engineering Faculty Publications

Quasi-in-situ transmission electron microscopy was employed to study dissolution associated with η-phase (Mg(Zn,Al,Cu)₂) precipitates in a Cu-containing 7xxx Al-alloy. Two distinct η-phase chemistries, with Cu to (Zn+Mg+Al) ratios ∼0.12 and ∼0.2, were studied in 0.01 M NaCl at pH 6 and 2. In near-neutral NaCl, both η-phase precipitates exhibited ‘duplex’ behaviour, i.e., they were primarily more noble with respect to the surrounding Al-matrix, causing matrix dissolution, and simultaneously established nanoscopic active sites within the noble precipitate itself by generating nanoscale pits. Conversely, η-phase precipitates rapidly dealloyed in acidic NaCl, forming nocrystalline Cu remnants containing twins, which subsequently caused …

Enhancing Intrinsic Ductility In Vnbmotaw High Entropy Alloy: A Combinatorial Investigation With Experimental Evaluation Of Theoretical Predictions, Taohid Bin Nur Tuhser, Ian Stewart Winter, Daryl Chrzan, Thomas John Balk

Chemical and Materials Engineering Faculty Publications

The application of refractory high entropy alloys (RHEAs) as engineering materials has been hindered by their poor inherent ductility. In this study, a novel approach combining thin film combinatorial screening with fragmentation testing was employed to identify intrinsically ductile alloy compositions. Inspired by the physics-based intrinsic ductility parameter, the ‘χ-parameter,’ we investigated the replacement of group VI elements (W/Mo) with group V elements (V, Nb, Ta) in the VNbMoTaW system. Conventional combinatorial analyses, including composition, phase, and hardness assessments, were conducted across a wide range of non-equiatomic configurations. The results revealed a broad compositional space favoring a single-phase body-centered cubic …

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 …

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).

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 …

Discrimination Of Temperature And Strain By Characterizing Two Femtosecond Laser-Written Coincident Sapphire Fiber Bragg Gratings For Harsh Environment Applications, Farhan Mumtaz, Bohong Zhang, Koustav Dey, Jeffrey D. Smith, Ronald J. O'Malley, Jie Huang

Electrical and Computer Engineering Faculty Research & Creative Works

In this study, two co-incident sapphire fiber Bragg gratings (SFBGs) were successfully inscribed utilizing a femtosecond (fs) laser to achieve a high fringe contrast interferogram. These two SFBGs employ a unique configuration, one parallel to the center axis, called p-SFBG, and the other forming an angle from the center-axis, called a-SFBG, allowing for simultaneous strain and temperature measurements with low crosstalk. As a proof of concept, p-SFBG and a-SFBG using line-by-line method are characterized, which are shorter in length (i.e., 1.5 mm), producing reflectivity of ~3dB. This effort demonstrates the use of two coincident SFBGs forming an angle of 2.29° …

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 …

Effects Of Chain Length, Saturation, And Bases On Saponification, Sarah Fenik

Williams Honors College, Honors Research Projects

This project will analyze the effects of chain length and saturation of fatty acids on saponification processes, as well as the effects of the base used in the reaction. Stearic acid, lauric acid, and oleic acid will be used for the fatty acid comparisons, and sodium hydroxide and potassium hydroxide will be used for the base comparisons. Stearic acid is considered a long chain fatty acid, while lauric acid is considered a short chain fatty acid. Oleic acid is a monounsaturated fatty acid. Five soap products are be made: sodium stearate, sodium laurate, sodium oleate, potassium stearate, and potassium oleate. …

Corrosion Of Pipes In Soil Under Cathodic Protection, Ashley Chow

Williams Honors College, Honors Research Projects

This research project focuses on understanding how various soil properties affect the corrosion of buried pipelines that are protected by cathodic protection (CP) systems. Specifically, the study seeks to evaluate key soil characteristics, including resistivity, moisture content, and pH levels to determine their influence on the efficiency of CP systems in mitigating corrosion. Through controlled laboratory experiments, carbon steel specimens were exposed to a range of simulated soil conditions to mimic real-world environments. Corrosion rates were assessed using advanced electrochemical techniques, such as linear polarization resistance (LPR) and Tafel slopes, along with traditional mass loss methods. The primary objectives of …

Prediction Of Glass Transition Temperature Of Polymers Using Structure-Based Models, Nicholas Wolfe

Williams Honors College, Honors Research Projects

The focus for this study is prediction of glass transition temperatures of polymers using machine learning models. The preprocessing of the data included the generation of descriptors, the scaling of the data, the principal component analysis for dimensionality reduction, and the clustering of the data. Three methods of property predictions were utilized including Linear Regression, Random Forest, and a Feedforward Neural Network. The dataset consisted of over 7000 polymers each with their respective glass transition temperatures. This study found that the Random Forest model returned the best results followed by the Feedforward Neural Network then the Linear Regression model. Each …

Effects Of Soil Properties On Cp Performance, Cecilia Segretario

Williams Honors College, Honors Research Projects

This research aims to evaluate the affect of various soil properties on the effectiveness of cathodic protection (CP) in preventing underground pipeline corrosion. Metal coupons of common pipeline materials with applied CP will be mounted in several separate controlled soil environments to manipulate real world underground corrosion scenarios. Each soil environment will have different physical properties by mixing the soil with a prepared chemical solution. The physical properties to be evaluated include pH, resistivity, and moisture content. At the end of a corrosion duration, weight loss method will be used to evaluate the corrosion rate over that period. Additionally, the …

Design And Development Of A Rapid Tensile Quench Rig, Tyler Jewell, Justin Naylor

Williams Honors College, Honors Research Projects

This report outlines the design process and implantation of a tensile quenching rig that incorporated forced convection and a frequency generator. When any metal is quenched, a vapor barrier forms around it. When this happens, it limits the heat flux that may occur until the barrier turns into just nucleate boiling. The vapor barrier acts as an insulator and causes the heat flux to fluctuate, causing uneven hardening which would limit the use of some materials. To combat this effect, we are trying to use forced convection, and something new, which is adding high frequency waves into the quenching process. …

The Bacteriostatic, Regenerative, And Immunomodulatory Properties Of Extracellular Matrix Particles For Lung Injury, Keera P. Rhoads

Theses and Dissertations

Acute respiratory distress syndrome (ARDS) is a prevalent, life-threatening lung condition, affecting nearly 200,000 Americans annually, with a 40% international mortality rate. There is no cure for ARDS, and current pharmacological treatments have limited effectiveness. Symptoms can be mitigated with mechanical ventilation, though this often leads to ventilator-induced lung injuries (VILI) and puts critically ill patients at risk of infections, including ventilator-associated pneumonia (VAP). A promising therapeutic is the extracellular matrix (ECM), a complex network of structural proteins and bioactive molecules that has been shown to have anti-inflammatory properties and prevent fibrosis. We aim to utilize the regenerative and immunomodulatory …

Pla Polymer Binder In Core Production - Influence On Final Casting Dimensions, Artur Soroczyński, Krzysztof Rechowicz

Virginia Digital Maritime Center (VDMC) Faculty Publications

The foundry industry is seeking an ecological alternative to synthetic molding resins. This study evaluates the technological properties of core sands bonded with biodegradable polylactide (PLA). Cores prepared on a 2% quartz sand matrix were subjected to casting processes using two alloys with extremely different pouring temperatures: gray cast iron (approx. 1200 °C) and AK11 silumin (approx. 710 °C). The research methodology included macroscopic assessment, dimensional analysis using 3D scanning (GOM Inspect), and qualitative knock-out assessment supported by numerical temperature field simulation. The results showed that the high crystallization temperature of cast iron leads to complete thermal degradation of the …

Beyond The Phonon Gas Model (Pgm): Unraveling The Unique Mechanistic Processes Dictating Thermal Transport In Highly Anharmonic And Disordered Materials, Sandip Thakur

Open Access Dissertations

Thermal transport in nonmetallic solids has traditionally been described by the phonon gas model (PGM), in which heat is carried by weakly interacting phonon quasiparticles in an ordered crystalline lattice. However, this model breaks down in materials characterized by strong anharmonicity, dynamic disorder, or structural complexity, features prevalent in many next-generation materials used in energy conversion, optoelectronics, and thermal management. This dissertation investigates thermal transport in such complex materials, including metal halide perovskites (MHPs), covalent organic frameworks (COFs), metal organic frameworks (MOFs), and 2D-3D heterostructures, through large-scale molecular dynamics (MD) simulations and frequency-resolved spectral analyses.

In MHPs, the work reveals …

Comprehensively Understanding And Manipulating The Heat Transfer Mechanisms In Next-Generation Battery Materials, Connor Jaymes Dionne

Open Access Dissertations

Rechargeable batteries are paramount to the further development of green energy infrastructure as they allow for energy storage during peak production times, energy distribution during off-peak times, and provide the impetus to transition away from standard combustion engines in the transportation sector. The ability for rechargeable batteries to safely charge and discharge over multiple cycles is key to their successful application and long-term use. Moreover, the growing use of rechargeable batteries necessitates designs utilizing materials that are abundant and accessible to meet the ever-increasing demands required by the green energy and transportation sectors.

To address these needs, we first investigate …

Advances In Magnetic Nanoparticles For Molecular Medicine, Xiaoyue Yang, Sarah E. Kubican, Zhongchao Yi, Sheng Tong

Markey Cancer Center Faculty Publications

Magnetic nanoparticles (MNPs) are highly versatile nanomaterials in nanomedicine, owing to their diverse magnetic properties, which can be tailored through variations in size, shape, composition, and exposure to inductive magnetic fields. Over four decades of research have led to the clinical approval or ongoing trials of several MNP formulations, fueling continued innovation. Beyond traditional applications in drug delivery, imaging, and cancer hyperthermia, MNPs have increasingly advanced into molecular medicine. Under external magnetic fields, MNPs can generate mechano- or thermal stimuli to modulate individual molecules or cells deep within tissue, offering precise, remote control of biological processes at cellular and molecular …

Surface Morphology And Moisture Adsorption/Desorption Characteristics Of Hybrid-Dielectric Moisture Sensors, Ronak Ali

Theses and Dissertations--Electrical and Computer Engineering

Relative humidity sensors are used for high-humidity measurement. Moisture sensors, or dew point sensors are used for low-humidity measurement (< 1 ppm_v). The dissertation contains two parts of studies. In the first part, the effect of surface morphology on the response speed of moisture sensors is studied. Moisture sensors using α-Al₂O₃ films as porous dielectric materials deposited by anodic spark deposition are studied. In this part of the study, a variety of small pores have been studied to investigate the response speed of moisture sensors. Three different surface morphologies have been studied using scanning electron microscopy. One …

Effect Of Manufacturing Process On Mechanical Properties Of Polyetheretherketone (Peek) Cranial Implants Produced By Single-Point Incremental Forming (Spif), Elizabeth M. Mamros, Ihab Ragai, Brian Young

Faculty Conference Papers and Presentations

Polyetheretherketone (PEEK) is one of the most commonly used materials for cranioplasty due to its biocompatibility, relatively high strength, and light weight. Cranial implants manufactured from PEEK sheets using the same manufacturing process, e.g., single point incremental forming (SPIF), will have differing part properties based on the selected polymer forming process. Three fabrication methods for PEEK sheets were investigated: extrusion, modified hot pressing, and injection molding. Material characterization specimens were extracted for tensile, impact, and differential scanning calorimetry (DSC) experiments. The PEEK sheets were also subjected to formability tests at room temperature using SPIF. Slight differences in ultimate tensile strength …

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 …

Laser-Induced Graphene For Early Disease Detection: A Review, Sri Ramulu Torati, Gymama Slaughter

Center for Bioelectronics Publications

Electrochemical biosensors have been instrumental in early disease detection, facilitating effective monitoring and treatment. The emergence of graphene has significantly advanced sensor technology in various fields, including biomedicine, electronics, and energy. In this landscape, laser‐induced graphene (LIG) has emerged as a superior alternative to conventional graphene synthesis methods. Its straightforward fabrication process and compatibility with wearable devices boost its practicality and potential for real‐world applications. This review highlights the transformative potential of LIG in biosensing, showcasing its contributions to the development of next‐generation diagnostic tools for early disease detection. An overview of the LIG synthesis process and its applications in …

Assessing Porosity Limit In Freeze-Cast Sintered Lithium Titanate (Li₄Ti₅O₁₂) Materials, Rohan Parai, Dipankar Ghosh

Mechanical & Aerospace Engineering Faculty Publications

This study aims to assess the lower limit of porosity that can be achieved in freeze-cast sintered lithium titanate (LTO) materials while maintaining the characteristic pore directionality. LTO materials were fabricated with solid loading varying in the range of 30–37 vol.%. Sucrose and cationic dispersant were used to vary viscosity and total solute concentration in the aqueous LTO suspensions. Two series of suspension compositions were selected for freeze-casting. In one series, aqueous suspensions were prepared by mixing deionized (DI) water, sucrose, and LTO powder, while in the other series, aqueous suspensions were prepared by mixing DI water, sucrose, cationic dispersant …

Morphing Shape Metastructures Using The Hybrid Position Feedback Control And Bistable Structural Elements, Mehmet Simsek, Thomas E. Alberts, Onur Bilgen

Mechanical & Aerospace Engineering Faculty Publications

This research introduces a new multi-degree-of-freedom metastructure concept utilizing a hybrid position feedback controller. An arbitrary number of bistable segments, or structural elements, are connected serially or in parallel to form a distributed bistable structure, or a so-called metastructure. The hybrid controller, an unstable-then-stable second-order single-degree-of-freedom system, leverages the resonant mode of a bistable system to destabilize it and dynamically induce snap-through between equilibria. The metastructure inherits multiple bistable positions, maintaining equilibrium shapes without consuming power and enabling many equilibrium configurations. Two geometric configurations are proposed and analyzed using a modified hybrid feedback control approach, which rejects forces from neighboring …