Engineering Commons^™

Micropatterning And Functionalization Of Single Layer Graphene: Tuning Its Electron Transport Properties, Miao-Miao Cui, Lian-Huan Han, Lan-Ping Zeng, Jia-Yao Guo, Wei-Ying Song, Chuan Liu, Yuan-Fei Wu, Shi-Yi Luo, Yun-Hua Liu, Dong-Ping Zhan

Journal of Electrochemistry

As a promising 2D material, graphene exhibits excellent physical properties including single-atom-scale thickness and remarkably high charge carrier mobility. However, its semi-metallic nature with a zero bandgap poses challenges for its application in high-performance field-effect transistors (FETs). In order to overcome these limitations, various approaches have been explored to modulate graphene's bandgap, including nanoscale confinement, external field induction, doping, and chemical micropatterning. Nevertheless, the stability and controllability still need to be improved. In this study, we propose a feasible method that combines electrochemical bromination and photolithography to precisely tune the electron transport properties of single layer graphene (SLG). Through this …

Effects Of Polymer-Nanoparticle Interactions On The Dynamics Of Attractive Polyhedral Oligomeric Silsesquioxane Nanocomposites, Walter W. Young

Doctoral Dissertations

Polyhedral oligomeric silsesquioxane (POSS) had long been recognized as a critical building block for inorganic-organic hybrid materials with unique and desirable properties and performance. Through synthesis and characterization of polymer/POSS nanocomposites, direct insights into the significant effects of the polymer/POSS interactions on the resulting material properties are obtained. Random copolymers of a hydrogen-bond accepting monomer and a non-interacting monomer are synthesized and loaded with a model amine-functionalized hydrogen bond donating POSS molecule via solution casting, to create a material with well-controlled dynamical heterogeneity. The increase in the glass transition temperature (Tg) of these materials is found to strongly depend on …

Machine Learning Prediction Of Photoluminescence In Mos2: Challenges In Data Acquisition And A Solution Via Improved Crystal Synthesis, Ethan Swonger, John Mann, Jared Horstmann, Daniel Yang

Seaver College Research And Scholarly Achievement Symposium

Transition metal dichalcogenides (TMDCs) like molybdenum disulfide (MoS2) possess unique electronic and optical properties, making them promising materials for nanotechnology. Photoluminescence (PL) is a key indicator of MoS2 crystal quality. This study aimed to develop a machine-learning model capable of predicting the peak PL wavelength of single MoS2 crystals based on micrograph analysis. Our limited ability to consistently synthesize high-quality MoS2 crystals hampered our ability to create a large set of training data. The project focus shifted towards improving MoS2 crystal synthesis to generate improved training data. We implemented a novel approach utilizing low-pressure chemical vapor deposition (LPCVD) combined with …

La1-Xsrxcoo3 Perovskite Nanomaterial: Synthesis, Characterization, And Its Biomedical Application, Adhira Tippur, Anyet Shohag, Luke Franco, Ahmed Touhami, Swati Mohan, Mohammed Uddin

Research Symposium

Early cancer detection is paramount for effective treatment and potential cures. This research explores the application of perovskite materials, specifically Sr2+-doped Lanthanum Cobaltite (La1-xSrxCoO3) nanomaterials, in cancer detection, with a focus on rats as an experimental model. The ferroelectric nature of these materials, synthesized through a combination of sol-gel and molten-salt processes, was examined at varying Sr2+ doping levels (1-20 wt%). Rigorous characterization, employing X-ray diffraction and scanning electron microscopy, confirmed the uniform morphology of nano cubes, laying the foundation for subsequent investigations. The magnetic properties of the perovskite nanoparticles were probed, suggesting their potential as a diagnostic tool for …

On The Use Of Machine Learning And Data-Transformation Methods To Predict Hydration Kinetics And Strength Of Alkali-Activated Mine Tailings-Based Binders, Sahil Surehali, Taihao Han, Jie Huang, Aditya Kumar, Narayanan Neithalath

Electrical and Computer Engineering Faculty Research & Creative Works

The escalating production of mine tailings (MT), a byproduct of the mining industry, constitutes significant environmental and health hazards, thereby requiring a cost-effective and sustainable solution for its disposal or reuse. This study proposes the use of MT as the primary ingredient (≥70%mass) in binders for construction applications, thereby ensuring their efficient upcycling as well as drastic reduction of environmental impacts associated with the use of ordinary Portland cement (OPC). The early-age hydration kinetics and compressive strength of MT-based binders are evaluated with an emphasis on elucidating the influence of alkali activation parameters and the amount of slag or cement …

Effect Of The Filler Morphology On The Crystallization Behavior And Dielectric Properties Of The Polyvinylidene Fluoride-Based Composite, Suzana Filipović, Nina Obradović, Cole Corlett, William G. Fahrenholtz, Martin Rosenschon, Ekkehard Füglein, Radovan Dojčilović, Dragana Tošić, Jovana Petrović, Antonije Đorđević, Branislav Vlahović, Vladimir B. Pavlović

Materials Science and Engineering Faculty Research & Creative Works

Ceramic/polymer composites can be chemically stable, mechanically strong, and flexible, which make them candidates for electric devices, such as pressure or temperature sensors, energy storage or harvesting devices, actuators, and so forth. Depending on the application, various electrical properties are of importance. Polymers usually have low dielectric permittivity, but increased dielectric permittivity can be achieved by the addition of the ceramic fillers with high dielectric constant. With the aim to enhance dielectric properties of the composite without loss of flexibility, 5 wt.% of BaTiO₃-Fe₂O₃ powder was added into a polyvinylidene fluoride matrix. The powder was …

A Phenomenological Thermodynamic Energy Density Function For Ferroelectric Wurtzite Al1−Xscxn Single Crystals, Yijia Gu, Andrew C. Meng, Aiden Ross, Long Qing Chen

Materials Science and Engineering Faculty Research & Creative Works

A Landau-Devonshire thermodynamic energy density function for ferroelectric wurtzite aluminum scandium nitride (Al1−xScxN) solid solution is developed. It is parametrized using available experimental and theoretical data, enabling the accurate reproduction of composition-dependent ferroelectric properties, such as spontaneous polarization, dielectric permittivity, and piezoelectric constants, for both bulk and thin films. The maximum concentration of Sc for the wurtzite structure to remain ferroelectric is found to be 61 at. %. A detailed analysis of Al1−xScxN thin films reveals that the ferroelectric phase transition and properties are insensitive to substrate strain. This study lays the foundation for quantitative modeling of novel ferroelectric wurtzite …

Raman Spectroscopy Of Gan On Si With Varied Thin Film Thickness For High-Temperature Semiconductor Devices, Manika Tun Nafisa

Symposium of Student Scholars

This study explores the potential of GaN on Si thin films as a promising material for high-temperature semiconductor devices, owing to its impressive thermal properties and performance characteristics. Two GaN on Si samples were grown using Metal Organic Chemical Vapor Deposition (MOCVD), with different film thicknesses, and their potential for high-temperature applications was comprehensively assessed by performing Raman spectroscopy at various temperature levels. The experimental results provided valuable insights into the material's behavior at elevated temperatures. At 300°C, the GaN E₂ (High) peak showed a Raman shift at 562.38 cm⁻¹ for high-thickness samples and 561.49 cm⁻¹ for low-thickness samples. …

Toward Smart And Sustainable Cement Manufacturing Process: Analysis And Optimization Of Cement Clinker Quality Using Thermodynamic And Data-Informed Approaches, Jardel P. Gonçalves, Taihao Han, Gaurav Sant, Narayanan Neithalath, Jie Huang, Aditya Kumar

Electrical and Computer Engineering Faculty Research & Creative Works

Cement manufacturing is widely recognized for its harmful impacts on the natural environment. In recent years, efforts have been made to improve the sustainability of cement manufacturing through the use of renewable energy, the capture of CO₂ emissions, and partial replacement of cement with supplementary cementitious materials. To further enhance sustainability, optimizing the cement manufacturing process is essential. This can be achieved through the prediction and optimization of clinker phases in relation to chemical compositions of raw materials and manufacturing conditions. Cement clinkers are produced by heating raw materials in kilns, where both raw material compositions and processing conditions …

A Priori Procedure To Establish Spinodal Decomposition In Alloys, Simon Divilov, Hagen Eckert, Cormac Toher, Rico Friedrich, Adam C. Zettel, Donald W. Brenner, William G. Fahrenholtz, Douglas E. Wolfe, Eva Zurek, Jon Paul Maria, Nico Hotz, Xiomara Campilongo, Stefano Curtarolo

Materials Science and Engineering Faculty Research & Creative Works

Spinodal decomposition can improve a number of essential properties in materials, especially hardness. Yet, the theoretical prediction of the onset of this phenomenon (e.g., temperature) and its microstructure (e.g., wavelength) often requires input parameters coming from costly and time-consuming experimental efforts, hindering rational materials optimization. Here, we present a procedure where such parameters are not derived from experiments. First, we calculate the spinodal temperature by modeling nucleation in the solid solution while approaching the spinode boundary. Then, we compute the spinodal wavelength self-consistently using a few reasonable approximations. Our results show remarkable agreement with experiments and, for NiRh, the calculated …

The Thermophysical Properties Of Tco2, Hong Zhong, Jason Lonergan, John S. Mccloy, Scott P. Beckman

Materials Science and Engineering Faculty Research & Creative Works

Technetium-99 Is A Highly Radioactive Isotope With A Long Half-Life That Is Common In Nuclear Waste. It Volatizes At A Low Temperature, Which Poses A Significant Challenge To The Clean-Up And Containment Processes. Due To Difficulties In Purifying Technetium Compounds, Their Thermophysical Properties Have Not Been Measured Or Calculated. Here, First Principle Methods Are Used Along With The Quasi Quasi-Harmonic Harmonic Approximation To Compute The Debye Temperature, Volumetric Thermal Expansion Coefficient, Bulk Modulus, And Heat Capacity Of Rutile TcO2 For Temperatures Ranging From 0 To 1500 K And Applied Pressures Ranging From 0 To 255 GPa. The Computed Atomic Structures …

Corrigendum To "Comparing Structure-Property Evolution For Pm-Hip And Forged Alloy 625 Irradiated With Neutrons To 1dpa" [Mater. Sci. Eng. A (2022) 144058], Caleb Clement, Sowmya Panuganti, Patrick H. Warren, Yangyang Zhao, Yu Lu, Katelyn Wheeler, David Frazer, Donna P. Guillen, David W. Gandy, Janelle P. Wharry

Materials Science and Engineering Faculty Publications and Presentations

The authors regret that after publication, they discovered that the dislocation loop number density was undercounted by a factor of 100 for both the PM-HIP and forged specimens. While this does not change the original major conclusions, this necessitates a change in the results presentation (Sections 3.2 and 4.1) and calculated hardening (Table 3, Fig. 5). Corrections to these affected sections are provided in this corrigendum.

The Interplay Of Spin, Charge, And Heat: From Metal/Insulator Heterostructures To Perovskite Bilayers, Sam M. Bleser

Electronic Theses and Dissertations

In this dissertation begin with an investigation of non-local spin transport in an amorphous germanium (a-Ge) sample via the inverse spin Hall effect (ISHE). In that study we show that commonly used techniques such as differential conductance and delta mode of a paired Keithley 6221/2182a for non-local resistance measurements can lead to false indicators of spin transport. Next, we turn out attention to a thickness dependent study in thermally-evaporated chromium (Cr) thin films on a bulk polycrystalline yttrium-iron-garnet (YIG) substrate. This project analyzed the spin transport in the Cr films versus thickness via the longitudinal spin Seebeck effect (LSSE). This …

Finite Element Analysis Of Thermal-Mechanical Instabilities In Nonmetallic Friction Composite Material, Joseph-Shaahu Shaahu

Electronic Theses and Dissertations

Thermal-mechanical instability (TMI) has been a research topic of interest as it focuses a lot on transportation systems. Thermal-mechanical instability was first noticed in railway and experimentally studied with a pin-to-pin or pin-to-surface setup of sliding contact. The topic has been extended into brakes and clutches which are two of the most common sliding systems most susceptible to thermal buckling and thermoelastic instability (TEI), where thermal buckling and thermoelastic instability are two sub-categories of thermal-mechanical instability. Thermal-mechanical instability is an ongoing research to better understand the phenomenon and the limits at which such instability occurs. This work delved into the …

Thermal, Electrical, And Spin Transport: Encompassing Low-Damping Ferromagnets And Antiferromagnetic/Ferromagnetic Heterostructures, Matthew Ryan Natale

Electronic Theses and Dissertations

Continuing technological advancements bring forth escalating challenges in global energy consumption and subsequent power dissipation, posing significant economic and environmental concerns. In response to these difficulties, the fields of thermoelectrics, spintronics, and spincaloritronics emerge as contemporary solutions, each presenting unique advantages. Thermoelectric devices, based on the Seebeck effect, other a passive, carbon-free energy generating solution from waste heat. Although current thermoelectric technology encounters hurdles in achieving optimal efficiencies without intricate designs or complex materials engineering, recently research into low-damping metallic ferromagnetic thin films have provided a new method to enhance spin wave lifetimes, thus contributing to thermoelectric voltage improvements. As …

A Bayesian Approach For Lifetime Modeling And Prediction With Multi-Type Group-Shared Missing Covariates, Hao Zeng, Xuxue Sun, Kuo Wang, Yuxin Wen, Wujun Si, Mingyang Li

Engineering Faculty Articles and Research

In the field of reliability engineering, covariate information shared among product units within a specific group (e.g., a manufacturing batch, an operating region), such as operating conditions and design settings, exerts substantial influence on product lifetime prediction. The covariates shared within each group may be missing due to sensing limitations and data privacy issues. The missing covariates shared within the same group commonly encompass a variety of attribute types, such as discrete types, continuous types, or mixed types. Existing studies have mainly considered single-type missing covariates at the individual level, and they have failed to thoroughly investigate the influence of …

The Behavior Of ½⟨111⟩ Screw Dislocations In W–Mo Alloys Analyzed Through Atomistic Simulations, Lucas A. Heaton, Kevin Chu, Adib J. Samin

Faculty Publications

Analyzing plastic flow in refractory alloys is relevant to many different commercial and technological applications. In this study, screw dislocation statics and dynamics were studied for various compositions of the body-centered cubic binary alloy tungsten–molybdenum (W–Mo). The core structure did not appear to change for different alloy compositions, consistent with the literature. The pure tungsten and pure molybdenum samples had the lowest plastic flow, while the highest dislocation velocities were observed for equiatomic, W_0.5Mo_0.5 alloys. In general, dislocation velocities were found to largely align with a well-established dislocation mobility phenomenological model supporting two discrete dislocation mobility regimes, …

Assessing Adoption Barriers Of Sustainable Packaging In Egypt, Carol Ramses Morgan

Theses and Dissertations

Sustainable packaging has become an essential part of business decisions and corporate directions. With the rise of environmental damages due to improper waste management and unsustainable practices, businesses have a major responsibility to analyze their products’ life cycles and redesign them with sustainability in mind. Applying sustainable packaging could save companies large amounts of resources, therefore cutting costs, while also achieving the legal and social duty as a corporation towards society and the environment. Many developing countries, with specific focus on Egypt, have recently focused on legislative and corporate decisions in order to encourage more sustainable practices. Egypt’s new Waste …

Applicability Of Using Bio-Receptive Concrete For Building Facades In Egypt, Gina Roupheil

Theses and Dissertations

The significant increase in carbon dioxide emissions caused by the construction industry is detrimental to our planet. This is rapidly increasing with the urbanization of cities that is gradually taking its toll on the available green spaces, which help in balancing such emissions. Recently, researchers have been trying to make use of bio-receptivity to create biomaterial systems that could be spread on building envelopes and support the growth of small plant species and microorganisms to establish on. Out of those materials, comes the concrete as a promising material for bio-colonization.

Within this context, this study aims at investigating the applicability …

Joint Time-Frequency Analysis: Taking Charge Penetration Depth And Current Spatial Distribution In The Single Pore As An Example, Nan Wang, Qiu-An Huang, Wei-Heng Li, Yu-Xuan Bai, Jiu-Jun Zhang

Journal of Electrochemistry

In recent years, joint time-frequency analysis has once again become a research hotspot. Supercapacitors have high power density and long service life, however, in order to balance between power density and energy density, two key factors need to be considered: (i) the specific surface area of the porous matrix; (ii) the electrolyte accessibility to the intra-pore space of porous carbon matrix. Electrochemical impedance spectra are extensively used to investigate charge penetration ratio and charge storage mechanism in the porous electrode for capacitance energy storage. Furthermore, similar results could be obtained by different methods such as stable-state analysis in the frequency …

Automated Workflow For Redox Potentials And Acidity Constants Calculations From Machine Learning Molecular Dynamics, Feng Wang, Jun Cheng

Journal of Electrochemistry

Redox potentials and acidity constants are key properties for evaluating the performance of energy materials. To achieve computational design of new generation of energy materials with higher performances, computing redox potentials and acidity constants with computational chemistry have attracted lots of attention. However, many works are done by using implicit solvation models, which is difficult to be applied to complex solvation environments due to hard parameterization. Recently, ab initio molecular dynamics (AIMD) has been applied to investigate real electrolytes with complex solvation. Furthermore, AIMD based free energy calculation methods have been established to calculate these physical chemical properties accurately. However, …

A Study On High-Frequency Bending Fatigue, Microhardness, Tensile Strength, And Microstructure Of Parts Made Using Atomic Diffusion Additive Manufacturing (Adam) And Additive Friction Stir Deposition (Afsd), Hamed Ghadimi

LSU Doctoral Dissertations

This dissertation reports the findings of several studies on the mechanical and microstructural properties of parts made using atomic diffusion additive manufacturing (ADAM) and additive friction stir deposition (AFSD). The design of a small-sized bending-fatigue test specimen for an ultrasonic fatigue testing system is reported in Chapter 1. The design was optimized based on the finite element analysis and analytical solution. The stress–life (S–N) curve is obtained for Inconel alloy 718. Chapter 2 presents the findings of ultrasonic bending-fatigue and tensile tests carried out on the ADAM test specimens. The S-N curves were created in the very high-cycle fatigue regime. …

Formulation And Aerosol Jet Printing Of Nickel Nanoparticle Ink For High-Temperature Microelectronic Applications And Patterned Graphene Growth, Nicholas Mckibben, Michael Curtis, Olivia Maryon, Mone’T Sawyer, Maryna Lazouskaya, Josh Eixenberger, Zhangxian Deng, David Estrada

Materials Science and Engineering Faculty Publications and Presentations

Aerosol jet printing (AJP) is an advanced manufacturing technique for directly writing nanoparticle inks onto target substrates. It is an emerging reliable, efficient, and environmentally friendly fabrication route for thin film electronics and advanced semiconductor packaging. This fabrication technique is highly regarded for its rapid prototyping, the flexibility of design, and fine feature resolution. Nickel is an attractive high-temperature packaging material due to its electrical conductivity, magnetism, and corrosion resistance. In this work, we synthesized nickel nanoparticles and formulated an AJP ink, which was printed on various material surfaces. Thermal sintering experiments were performed on the samples to explore the …

Fly Ash Coated With Alumina Sol For Improving Strength And Thermal Insulation Of Mullite Porous Ceramics, Minghui Li, Peilin Li, Qingqing Gao, Saisai Li, Ruoyu Chen, Haiming Wen, Canhua Li

Materials Science and Engineering Faculty Research & Creative Works

The manufacturing of mullite porous ceramics with high strength and low thermal conductivity was achieved through foam gel-casting processes using fly ash coated with alumina sol layers. This research aimed to investigate the effect of alumina sol concentration on foaming slurry rheology, as well as the influence of alumina sol coating layers on the microstructure, phase compositions and properties of the resulting mullite porous ceramics. Increasing the alumina sol concentration from 5 to 20 wt% improved both the viscosity and thixotropy of the foaming slurries while enhanced the shear thinning behavior. Porous ceramics prepared with fly ash coated with alumina …

Pisa Printing Microneedles With Controllable Aqueous Dissolution Kinetics, Aaron Priester, Jimmy Yeng, Yuwei Zhang, Krista Hilmas, Risheng Wang, Anthony J. Convertine

Chemistry Faculty Research & Creative Works

This study focused on the development of high-resolution polymeric structures using polymer-induced self-assembly (PISA) printing with commercially available digital light-processing (DLP) printers. Significantly, soluble solids could be 3D-printed using this methodology with controllable aqueous dissolution rates. This was achieved using a highly branched macrochain transfer agent (macro-CTA) containing multiple covalently attached CTA groups. In this work, the use of acrylamide as the self-assembling monomer in isopropyl alcohol was explored with the addition of N-(butoxymethyl)acrylamide to modulate the aqueous dissolution kinetics. PISA-printed microneedles were observed to have feature sizes as small as 27 μm, which was close to the resolution limit …

Progress In Energy: Usa–Canada Special Issue On Energy, Yun Hang Hu

Michigan Tech Publications, Part 2

No abstract provided.

Understanding Roles And Evaluating Reactivity Of Fly Ashes In Calcium Aluminate Binders, Sai Akshay Ponduru, Taihao Han, Jie Huang, Narayanan Neithalath, Gaurav Sant, Aditya Kumar

Electrical and Computer Engineering Faculty Research & Creative Works

Calcium aluminate cement (CAC) is an alternative to Portland cement, valued for its superior early strength and thermal resistance. Partially replacing CAC with Fly ash (FA) can reduce carbon footprint and production costs of CAC, producing sustainable cementitious binders. This research investigates on various properties (i.e., hydration kinetics; phase assemblage evolution; compressive strength) of [CAC + FA] binders. Using 13 distinct FAs, up to 50% of CAC was substituted. The study measures hydration kinetics, compressive strength, and employs the number of constraints to estimate FA reactivity. Advanced quantitative analysis draws links between hydration kinetics and compressive strength and elucidate the …

Residual Optical Absorption From Native Defects In Cdsip2 Crystals, Timothy D. Gustafson, Nancy C. Giles, Elizabeth M. Scherrer, Kevin T. Zawilski, Peter G. Schunemann, Kent L. Averett, Jonathan E. Slagle, Larry E. Halliburton

Faculty Publications

CdSiP₂ crystals are used in optical parametric oscillators to produce tunable output in the mid-infrared. As expected, the performance of the OPOs is adversely affected by residual optical absorption from native defects that are unintentionally present in the crystals. Electron paramagnetic resonance (EPR) identifies these native defects. Singly ionized silicon vacancies (V^-_Si) are responsible for broad optical absorption bands peaking near 800, 1033, and 1907 nm. A fourth absorption band, peaking near 630 nm, does not involve silicon vacancies. Exposure to 1064 nm light when the temperature of the CdSiP₂ crystal is near 80K converts …

Ion Irradiation And Examination Of Additive Friction Stir Deposited 316 Stainless Steel, Priyanka Agrawa, Ching-Heng Shiau, Aishani Sharma, Zhihan Hu, Megha Dubey, Yu Lu, Lin Shao, Ramprashad Prabhakaran, Yaqiao Wu, Rajiv S. Mishra

Materials Science and Engineering Faculty Publications and Presentations

This study explored solid-state additive friction stir deposition (AFSD) as a modular manufacturing technology, with the aim of enabling a more rapid and streamlined on-site fabrication process for large meter-scale nuclear structural components with fully dense parts. Austenitic 316 stainless steel (SS) is an excellent candidate to demonstrate AFSD, as it is a commonly-used structural material for nuclear applications. The microstructural evolution and concomitant changes in mechanical properties after 5 MeV Fe⁺⁺ ion irradiation were studied comprehensively via transmission electron microscopy and nanoindentation. AFSD-processed 316 SS led to a fine-grained and ultrafine-grained microstructure that resulted in a simultaneous increase …

Rational Design Of Peptide-Based Materials Informed By Multiscale Molecular Dynamics Simulations, Dhwanit Rahul Dave

Dissertations, Theses, and Capstone Projects

The challenge of establishing a sustainable and circular economy for materials in medicine and technology necessitates bioinspired design. Nature's intricate machinery, forged through evolution, relies on a finite set of biomolecular building blocks with through-bond and through-space interactions. Repurposing these molecular building blocks requires a seamless integration of computational modeling, design, and experimental validation. The tools and concepts developed in this thesis pioneer new directions in peptide-materials design, grounded in fundamental principles of physical chemistry. We present a synergistic approach that integrates experimental designs and computational methods, specifically molecular dynamics simulations, to gain in-depth molecular insights crucial for advancing the …