Materials Science and Engineering Commons^™

Structural And Magnetic Properties Of Molecular Beam Epitaxy (Mnsb2te4)X(Sb2te3)1−X Topological Materials With Exceedingly High Curie Temperature, Candice R. Forrester, Christophe Testelin, Kaushini Wickramasinghe, Ido Levy, Dominique Demaille, David Hrabovsky, Xiaxin Ding, Lisa Krusin-Elbaum, Gustavo Lopez, Maria C. Tamargo

Publications and Research

Tuning the properties of magnetic topological materials is of interest to realize exotic physical phenomena, new quantum phases and quasiparticles, and topological spintronic devices. However, current topological materials exhibit Curie temperature (T_C) values far below those needed for practical applications. In recent years, significant progress has been made to control and optimize T_C, particularly through defect-engineering of these structures. Most recently, we reported T_C values up to 80 K for (MnSb₂Te₄)_x(Sb₂Te₃)_1−x when 0.7 ≤ x ≤ 0.85 by controlling the composition x and the …

Ultra-Fast Annealing Improves Snr And Long-Term Stability Of A Highly Multiplexed Line-By-Line Fbg Array Inscribed By Femtosecond Laser In A Coreless Fiber For Extreme-Temperature Applications, Farhan Mumtaz, Bohong Zhang, Jeffrey D. Smith, Ronald J. O'Malley, Rex E. Gerald, Jie Huang

Electrical and Computer Engineering Faculty Research & Creative Works

This study reports the fabrication of an 4th-order line-by-line Fiber Bragg Gratings (FBG) array using femtosecond laser inscription within a highly multimode coreless optical fiber, with a particular focus on achieving substantial multiplexing capabilities. An ultra-fast annealing procedure is employed, resulting in an impressive enhancement of the FBG sensor's fringe visibility by approximately 13 dB, signifying a notable improvement of approximately ~4 dB. This substantial enhancement contributes to the long-term stability and performance of the multiplexed FBG array in extreme temperature conditions. The systematic fabrication approach employed for the multiplexed FBG array guarantees a high signal-to-noise ratio (SNR) for each …

Halide-Assisted Growth Of Transition Metal Dichalcogenides, Vinaayak Sivam Balasubramaniam

Dissertations, Master's Theses and Master's Reports

Monolayers of transition metal dichalcogenides (TMDCs) have attracted significant attention as the rare two-dimensional (2D) semiconducting materials with a direct energy band gap. Chemical vapour deposition (CVD) is one of the scalable techniques to grow atomically thin TMDC monolayers in high quality, but it requires high growth temperature. Herein we report the growth of MoS2, WS2 and MoSe2 by a one-step halide-assisted CVD method using NaCl and KCl as the catalysts. These halides could reduce the growth temperature of TMDCS by reacting with the precursors (TMDC powders) to form volatile intermediate compounds as the growth species. We use optical microscopy, …

Fatigue Resistant Cast Steel Railcar Couplers Produced By Wire-Arc Additive Manufacturing (Waam), Samuel Vellequette

Dissertations, Master's Theses and Master's Reports

Every year, approximately 90,000 cast steel railcar coupler knuckles are replaced preemptively to avoid fatigue failure. The coupler geometry has been in service since the early 1930s, so geometry changes are restricted to maintain compatibility with the existing fleet. Defects from the casting process, decarburization during heat treatment, and in-service exposure to corrosive environments combine to promote fatigue crack nucleation in high-stress regions of the knuckle. Wire-arc additive manufacturing (WAAM), which uses traditional welding techniques to build material to near-net shapes, was employed to deposit higher-strength materials in critical regions. By replacing the cast steel in the high-stress region of …

Calculation Of Elastic Constants Of Bulk Metallic Glasses From Indentation Tests, Zhitong Xu, Ming Liu, Fuqian Yang

Chemical and Materials Engineering Faculty Publications

One of the challenges in the applications of instrumented indentation is to simultaneously measure elastic modulus and Poisson’s ratio of homogeneous, isotropic materials. This work proposes empirical equations for simultaneous calculation of elastic modulus and Poisson’s ratio of bulk metallic glasses (BMGs) from the ratio of the short diagonal length to the long diagonal length and the area of the Knoop imprint. The parameters pre- sented in the empirical equations are determined first by Knoop microhardness tests of 24 BMGs, whose elastic moduli and Poisson’s ratios are measured by resonant ultrasound spectroscopy. These empirical equations are further validated by the …

“Zero” Porosity High Loading Nmc622 Positive Electrodes For Li-Ion Batteries, Haidar Y. Alolaywi, Kubra Uzun, Yang-Tse Cheng

Chemical and Materials Engineering Faculty Publications

LiNi0.6 Mn0.2Co0.2 O 2 (NMC622) is a widely used positive electrode material for lithium-ion batteries, including electric vehicles. In this work, we investigated the effects of porosity, ranging from “zero” to the typical 35%, on the electrochemical behavior of high- loading NMC622 electrodes. Although it is well known that the energy density of the electrode increases with increasing areal capacity and decreasing porosity, NMC-positive electrodes with exceedingly low porosity (e.g., near zero) and high loading (e.g., 4 mAh cm−2 ) have not been investigated. Here, we report an intriguing observation that the “zero porosity” NMC electrode can have higher capacity …

Spark Plasma Sintering Of Magnesium Titanate Ceramics, Suzana Filipović, Nina Obradović, William G. Fahrenholtz, Steven Smith, Miljana Mirković, Adriana Peleš Tadić, Jovana Petrović, Antonije Đorđević

Materials Science and Engineering Faculty Research & Creative Works

Magnesium titanate ceramics were prepared by reactive spark plasma sintering (SPS) at 1200 °C for 5 min. Prior to sintering, MgO and TiO₂ powders were mixed by high energy ball milling (HEBM) for 15, 30, or 60 min. The effect of milling time on phase composition was analyzed by X-ray diffraction (XRD) for milled powders and sintered specimens. The morphology of the sintered ceramics was investigated by scanning electron microscopy (SEM), while elemental distribution was determined by energy dispersive spectroscopy (EDS). The presence of the MgTi2O5 phase was detected in XRD and was confirmed by EDS analysis. Microcracking was …

Degree Of Dispersion/Exfoliation And Surface Functionalization Of 1d And 2d Carbon Nanostructured Materials: Interface Interactions And Effects On Mechanical Properties, Michail Margas

Material Science and Engineering Dissertations - Archive

The development of advanced cementitious nanocomposites relies heavily on understanding the interfacial interactions between carbon-based nanomaterials and the cement matrix, which significantly influence the material’s performance. The goal of this dissertation is to investigate the effect of dispersion/exfoliation and surface functionalization of 1D multiwall carbon nanotubes (MWCNTs), carbon nanofibers (CNFs), and 2D graphene nanoplatelets (GNPs) in aqueous suspensions on the interface interactions of nanoengineered cementitious composites. The first objective of this dissertation is to quantitatively evaluate the degree of nanomaterial dispersion for MWCNT and CNF suspensions, in a converging manner for cement-based materials applications using spectroscopic techniques, such as UV-vis …

Development Of Synthetically Accessible Glycolated Polythiophenes For High-Performance Organic Electrochemical Transistors, Bowen Ding, Vianna N. Le, Hang Yu, Guanchen Wu, Adam V. Marsh, Edgar Gutiérrez-Fernández, Nicolás Ramos, Martina Rimmele, Jaime Martín, Jenny Nelson, Alexandra F. Paterson, Martin Heeney

Chemical and Materials Engineering Faculty Publications

Four glycolated polythiophene-based organic mixed ionic-electronic conductors (OMIECs), PE2gTT, PE2gT, PT2gTT, and PT2gT are prepared by atom-efficient direct arylation polymerization, avoiding the need for toxic organometallic pre- cursors. PE2gT, PT2gTT, and PT2gT are operable in p-type accumulation mode organic electrochemical transistors (OECTs), with PT2gT displaying the best device performance with a μC* product figure-of-merit of 290 F cm−1 V−1 s−1 . A record volumetric capacitance among p-type glycolated polythiophene OMIECs of 313 F cm−3 is observed for PE2gT, ascribed to the high proportion- ality of polar components in its materials design. The good OECT performance of PE2gT with μC* = …

The Integrated Behavioral Model Of Mental Health Help Seeking (Ibm-Hs): A Health Services Utilization Theory Of Planned Behavior For Accessing Care, Joseph H. Hammer, David L. Vogel, Patrick R. Grzanka, Nayeon Kim, Brian T. Keum, Claire Adams, Sarah A. Wilson

Chemical and Materials Engineering Faculty Publications

This article introduces the integrated behavioral model of mental health help seeking (IBM-HS), a theoretical model for understanding the constructs (e.g., systemic, predisposing, and enabling factors; mental health literacy; illness perceptions; perceived need; stigma; shame; perceived benefits, motivation) that influence people’s decision making around seeking professional mental health care and their ultimate access to formal treatment. The IBM-HS is a help-seeking-specific adaptation of the empirically supported integrated behavioral model and integrative model, which are themselves evolutions of the theory of planned behavior and theory of reasoned action. The IBM-HS posits that help-seeking determinants (e.g., structural forces; cultural influences; past help-seeking …

Control Of Flow Instabilities With Acoustic Metamaterials, Jensen E. Mctighe

Open Access Master's Theses

Acoustic metamaterials (AMs) have been proposed for uses in flow control, as they offer a passive control method and can be engineered independently, without needing complex fluid structure interactions simulations. For example, AMs embedded into flat plate surfaces have been demonstrated to delay (or speed up) the onset of laminar-to-turbulent boundary layer transition by attenuating (or strengthening) Tollmein-Schlicting waves through numerical simulation. However, as of present, no experimental research has been conducted to study or demonstrate the behaviors of AMs designed to interact with flow structures. An experiment was performed in which an AM was embedded into a flat plate …

Theoretical Investigations Of The Structural, Dynamical, Electronic, Magnetic, And Thermoelectric Properties Of CoMRhsi (M = Cr, Mn) Quaternary Heusler Alloys, Abdullah Hzzazi, Hind Alqurashi, Eesha Andharia, Bothina Hamad, M. O. Manasreh

Physics Faculty Publications and Presentations

The structural, dynamical, electrical, magnetic, and thermoelectric properties of CoMRhSi (M = Cr, Mn) quaternary Heusler alloys (QHAs) were investigated using density functional theory (DFT). The Y-type-II crystal structure was found to be the most stable configuration for these QHAs. Both CoCrRhSi and CoMnRhSi alloys possess a half-metallic behavior with a 100% spin-polarization as the majority spin channel is metallic. On the other hand, the minority spin channel is semiconducting with narrow indirect band gaps of 0.54 eV and 0.57 eV, respectively, along the Γ−𝑋 high symmetry line. In addition, both CoCrRhSi and CoMnRhSi alloys possess a ferromagnetic structure …

Effect Of Strain Profiling On Anisotropic Opto-Electronic Properties Of As2X3 (X =S, Te) Monolayers From First Principles, Eesha Andharia, Hind Alqurashi, Ihsan Erikat, Bothina Hamad, M. O. Manasreh

Physics Faculty Publications and Presentations

Strain Engineering is a widely adopted approach to modulate the opto-electronic performance of 2-Dimensional (2D) materials. Recently, anisotropic Van der Waals (vdW) based 2D As₂S₃ monolayer has gained significant attention within the scientific community due to its stability in ambient conditions. Similar compounds like As₂Te₃ have also been theoretically explored. However, its indirect bandgap nature limits its application in optical devices. In this study, a systematic study of compressive and tensile strain on three profiles–Uniaxial along a-axis, Uniaxial along b-axis and biaxial strain from −10% to +10%, is performed for As₂S_{3 …}

F-Temper Vs O-Temper Brazing Of 3003 Aluminum Return Bends, Mieka R. Clark

Dissertations, Master's Theses and Master's Reports

As-extruded (F-temper) 3003 return bends can provide cost savings over annealed (O-temper) return bends in aluminum heat exchangers. To assess if F-temper return bends are an alternative to the baseline O-temper bends, the grain structure, bending performance, and melting behavior were assessed through:

• Quantifying the effect of dispersoids on recrystallization
• Tracking bending behavior through grain morphology and surface texture
• Measuring the number and volume fraction of the α-Al(Mn,Fe)Si intermetallic
• Inducing incipient melting through high temperature thermal exposure.

When homogenized at 620°C and 630°C, the F-temper bends had no orange peel texture, the grain size was equivalent to the annealed product, …

Machine Learning For Electronic Structure Prediction, Shashank Pathrudkar

Dissertations, Master's Theses and Master's Reports

Kohn-Sham density functional theory is the work horse of computational material science research. The core of Kohn-Sham density functional theory, the Kohn-Sham equations, output charge density, energy levels and wavefunctions. In principle, the electron density can be used to obtain several other properties of interest including total potential energy of the system, atomic forces, binding energies and electric constants. In this work we present machine learning models designed to bypass the Kohn-Sham equations by directly predicting electron density. Two distinct models were developed: one tailored to predict electron density for quasi one-dimensional materials under strain, while the other is applicable …

Investigation Of Space Charge Effects On Co2 Electrocatalytic Reduction On Gd-Doped Ceria Via Scanning Kelvin Probe And Model-Based Bayesian Analysis, Alejandro Mejia

Graduate Theses, Dissertations, and Problem Reports (ETD)

In studying novel energy conversion and storage systems, such as high-temperature electrolysis, numerous underlying fundamental physical processes remain unclear or inadequately understood. Among these, the modeling and comprehension of surface reaction mechanisms, coupled with the intricate effects of space‑charge interfaces, remains an unclear and challenging area of research.

The work of this dissertation involves the development of a 2D finite element analysis model, leveraging the robust MOOSE framework from INL. This model, featuring inhomogeneous defect thermodynamics for near-surface chemistry, formulated through Poisson‑Cahn variational theory, has been exploited for studying the electrocatalytic reduction of CO₂ on gadolinia doped ceria. The …

Data-Driven Modeling Of Oxygen Kinetics In La0.6sr0.4co0.2fe0.8o3−Δ (Lscf) For High-Temperature Reduction Of Co2 In An Electrolysis Cell, Ferron Campbell

Graduate Theses, Dissertations, and Problem Reports (ETD)

Electrolysis systems are critical to several societal applications, particularly energy storage and conversion. Developing these systems requires a detailed knowledge of the chemistry and thermodynamics of the materials used in the electrolysis cell. This work focuses on using embedded scientific machine learning as an efficient way to build an interpretable model for the reaction and transport kinetics in the LSCF electrode, whose performance directly influences the electrolysis system’s performance. The models developed in this study are trained using the publicly available machine learning package, FoKL-GP. This package incorporates a robust Gibbs sampler that employs a forward variable selection process to …

Processing, Stability, And High-Temperature Properties Of Doped Lacro3-Based Refractory Ceramics And Composites For Harsh Environments Sensing Applications, Javier A. Mena

Graduate Theses, Dissertations, and Problem Reports (ETD)

In order to test and monitor the operational stability and conditions of various energy, transportation, and manufacturing systems and their components, accurate sensors capable of operating at temperatures over 1000 °C in various environments for long durations are required. In addition, many of these harsh environmental systems do not permit sensors to be directly inserted into the environment, so the sensors need to be embedded into the surrounding support or thermal protective materials. Some technological and industrial applications that require the use of harsh environment conditions sensing include nuclear and chemical reactors, jet engines, heavyduty gas turbines, rotating bearings in …

Passive Wireless Corrosion And Temperature Detection In High-Temperature Environments, Noah Lane Strader

Graduate Theses, Dissertations, and Problem Reports (ETD)

This work focuses on the theory and development of LC sensors for high temperature and corrosion measurement for stainless steel and copper surfaces with power industry and general corrosion detection applications. The LC resonators were fabricated via screen printing an Ag inductor on an alumina substrate. The LC design was modeled using the ANSYS HFSS modeling package. The LC passive wireless sensors operate with resonant frequencies centered at 85-110 MHz. The wireless response of the LC sensor was interrogated and received by a radio frequency signal generator and spectrum analyzer at temperatures from 50-800 °C for copper ground planes and …

Materials Testing For Large Format 3d Printing, William Jenkins

Williams Honors College, Honors Research Projects

An ABS Carbon Fiber blend was printed into single walled hexagons at a variety of settings on a Cincinnati BAAM large format 3D printer. These hexagons were then cut down into sheets and had tensile and flexural test samples cut out of them, in order for materials testing to be performed. Tensile strength, tensile strain, young’s modulus, flexural strength, deflection and elastic modulus were all determined. A desktop CNC machine and a planer were purchased for the manufacturing of these samples, and an efficient cutting procedure was designed and optimized. After all data collection concluded, this data was thoroughly analyzed, …