Materials Science and Engineering Commons^™

Theoretical Insights Into The Atomic And Electronic Structures Of Polyperyleneimide: On The Origin Of Photocatalytic Oxygen Evolution Activity, Yi-Qing Wang, Zhi Lin, Ming-Tao Li, Shao-Hua Shen

Journal of Electrochemistry

Polymeric perylene diimide (PDI) has been evidenced as a good candidate for photocatalytic water oxidation, yet the origin of the photocatalytic oxygen evolution activity remains unclear and needs further exploration. Herein, with crystal and atomic structures of the self-assembled PDI revealed from the X-ray diffraction pattern, the electronic structure is theoretically illustrated by the first-principles density functional theory calculations, suggesting the suitable band structure and the direct electronic transition for efficient photocatalytic oxygen evolution over PDI. It is confirmed that the carbonyl O atoms on the conjugation structure serve as the active sites for oxygen evolution reaction by the crystal …

Three-Dimensional Melamine Carbon Sponge/Nai As Cathode Materials For Sodium-Ion Batteries, Qian-Ying Huang, Yue Liu, Zi-Xin Lin, Shu-Yi Zheng, Ting-Ting Mei, Yu-Ting Tang, Ying-He Zhang, Jun Liu

Journal of Electrochemistry

The sodium-iodine (Na-I) battery exhibits significant potential as an alternative energy storage device to the lithium-ion battery. However, its development is hindered by inadequate electrical and thermal stability, as well as the dissolution and shuttling of polyiodide. In this study, we report a preparation method for melamine carbon sponge (MC) via carbonizing a commercially available kitchen sponge. It was revealed that the as-prepared MC, composed of unique self-growing carbon nanotubes, could provide both physical and chemical adsorption capabilities for intermediate polyiodides to improve the electrochemical performance of NaI. Consequently, the NaI/MC electrode effectively minimized polyiodide dissolution and reduced the electrochemical …

Optimization Of Renewable Energy Systems: Comparative Analysis Of Advanced Algorithms And Photovoltaic-Electrolyzer Performance For Cost Reduction And Efficiency Enhancement, Mohamed-Amine Babay, Mustapha Adar, Ahmed Chebak, Mustapha Mabroukia

Journal of Electrochemistry

The increasing demand for cost-effective and efficient renewable energy solutions presents significant optimization challenges in hybrid energy systems. This paper addresses these challenges by conducting a comparative analysis of three advanced optimization algorithms—Lévy Flight Optimization (LFO), Archimedean Optimization (AO), and Quantum Gorilla Optimization (QGO)—to minimize the Total Net Present Cost (TNPC) and Levelized Cost of Energy (LCOE) in hybrid renewable energy systems. The study integrates critical cost parameters such as Capital Expenditure (CAPEX), Operational Expenditure (OPEX), replacement costs, and salvage values into an advanced optimization framework. Three system configurations are evaluated: Wind Turbines and Fuel Cells (WT/FC), Photovoltaic Systems and …

Using Predictive Analytics To Reduce Small Business Cost Estimation Error, Diana Solt

Journal of Applied Packaging Research

Small and medium packaging companies generally employ the use of custom-developed quoting programs to bid goods and services. Custom bid programs (e.g. Excel) are used to capture the company-specific costs of production. The inputs of variable costs, such as machine rate and scrap rate, are critical to get correct; however, companies often rely on educated guesses and industry expertise to quote packaging products to end-users. Due to the guesswork involved there can be a financial difference between the quoted costs and actual costs. This variance is often the cause of significant lost dollars. Price, if not determined correctly, could negatively …

The Influence Of Extrusion Geometry And Ratio On Extrudate Mechanical Properties For A 6005a Alloy Containing Either Sc And Zr Or Cr And Mn Dispersoid Formers, Eli A. Harma, Paul Sanders, Thomas Wood, Timothy Langan

Michigan Tech Publications

There is a demand for a 6005A series extrusion alloy with improved strength that maintains good extrudability. Replacing Mn and Cr dispersoid formers with Sc and Zr is expected to increase the room temperature mechanical properties while not affecting extrudability. Al3X dispersoids with a Sc core surrounded by a Zr shell are stable at higher temperatures and enhance recrystallization resistance and precipitation strengthening. However, there is little information on how the Sc and Zr additions affect the properties of an extrudate as a function of extrusion geometry and ratio. A 6005A series alloy with Cr and Mn additions is compared …

Reliability Of Cazro3 And Mgo Capacitors At High Temperatures, Alan Devoe, Hung Trinh, Fatih Dogan

Materials Science and Engineering Faculty Research & Creative Works

Calcium zirconate and magnesium oxide have both been found to have useful dielectric properties at high temperatures. Multilayer ceramic capacitors (MLCCs) were made with these dielectrics and platinum electrodes. The relationship between the lifespan (mean-time to failure) and applied voltage was determined using Weibull statistics. CaZrO₃ capacitors were tested between 550◦C and600◦C while MgO capacitors were tested between 600◦C and 650◦C. The temperature coefficient Ea and the voltage coefficient n of the Prokopowicz Vaskas equation were determined under various test conditions. Activation energiesforcalciumzirconateandmagnesiumoxidewere3.25eVand3.48eV, respectively. Resistance degradation of CaZrO₃ and MgO capacitors, tested at 600◦Cand250V, were compared.

Development Of Non-Precious Iron-Cobalt Alloy Catalyst For Electrocatalytic Reaction, Harsh Panchal

Electronic Theses & Dissertations

The development of a FeCo alloy catalyst with tunable Fe/Co ratios is examined to improve electrocatalytic performance in reactions like the oxygen evolution reaction (OER), hydrogen evolution reaction (HER), and oxygen reduction reaction (ORR). Many energy conversion devices, such as fuel cells, metal-air batteries, and water-splitting systems, depend on these interactions to function. These technologies have huge potential to meet the increasing need for hydrogen production and renewable energy sources worldwide, which are critical to attaining a sustainable energy future. When compared with noble metal-based catalysts, the FeCo alloy catalyst shows much higher catalytic activity, according to previous studies. Hydrothermal …

Direct Computations Of Spatially Resolved Viscoelastic Moduli Of Biomolecular Condensates, Liwen Gu

McKelvey School of Engineering Graduate Student Theses & Dissertations

Biomolecular condensates are viscoelastic materials formed by liquid-liquid phase separations (LLPS) of biopolymers. In this study, we develop a modified graph Laplacian-based collective model to characterize viscoelastic heterogeneity within condensates based on results of lattice-based Metropolis Monte Carlo (MMC) simulations. By integrating random graph models and simulations of A1-LCD, a type of intrinsically disordered protein, we examine how network topology influences storage modulus, loss modulus, crossover frequency, and relaxation time spectra. Our results reveal a strong correlation between topological features and mechanical response, with the condensate interior exhibiting higher stiffness and faster relaxation than the interface. The relaxation spectra provide …

Production Of Sustainable Liquid Fuel From Waste Polymeric Materials Via Thermal Pyrolysis, Md. Sabbir Ahmed, Selim Reja, Sk Md Ali Zaker Shawon, Farhana Nazmin, Abdullah Mohammad Sarjish, Yousuf Ali, M. Azizur R. Khan, M. Jasim Uddin, Md. Wasikur Rahman

Mechanical Engineering Faculty Publications

The widespread use of polymeric materials has become an environmental threat as they are durable and nonbiodegradable in nature, which is directly responsible for severe ecological consequences. Thermal pyrolysis offers a sustainable and efficient approach to converting these polymeric waste materials into liquid fuel, which is also referred to as pyrolysis oil (PO). In this study, a novel method was developed for producing oil from a composite of waste polymers that include vehicle tires, tubes, and medical waste. A fixed-bed stainless steel reactor is used to thermally breakdown the waste polymeric feedstock (300–750°C) in an inert environment. The PO was …

Functional Devices Based On Freestanding 2d Materials, Shijue Xu

McKelvey School of Engineering Graduate Student Theses & Dissertations

Two-dimensional (2D) materials have attracted extensive attention in the field of nanoelectronics due to their atomic-scale thickness, high surface-to-volume ratio, tunable electronic properties, and compatibility with low-temperature processing. These characteristics make them highly suitable for the construction of emerging device architectures, particularly in both ionic and electronic devices.

In this work, we investigate the application of 2D materials in two distinct classes of devices: ionically-driven memristors and electronically-dominated metal–semiconductor contacts. For the memristor study, we fabricate heterostructure-based resistive switching devices using h-BN and WSe₂ as active layers. These 2D material-based memristors exhibit stable power consumption loops and high linearity …

Biogenic Synthesis Of Metallic And Bimetallic Oxide Nanoparticles For Water Treatment Applications, Gunarani G.I

Theses and Dissertations

Access to clean water is a quality-of-life indicator. The availability of clean water apart from water scarcity is marred due to contamination by heavy metals and synthetic dyes, posing a grave environmental and public health challenge. This necessitates the implementation of advanced and sustainable treatment solutions towards water remediation. This research work focusses on the fabrication and application of biogenic and chemically synthesized metallic and bimetallic nanoparticles for the efficient removal of uranium, chromium, and toxic dyes from aqueous environments. The study particularly focuses on zero-valent (C-Fe and B-Fe) and bimetallic (C-NiFe and B-NiFe) nanoparticles, evaluating their adsorption capabilities and …

Rare Earth Mineral Flotation – A Comparison Of Silicates To Oxides, Carbonates And Phosphates, Abdul Mamudu

Graduate Theses & Non-Theses

Flotation is a processing method used to separate valuable minerals from gangue minerals based on differences in hydrophobicity. When applied to ores bearing rare earth minerals (REMs) variations in rare earth element (REE) concentrations within the REMs can lead to inconsistent flotation results. Prior work at Montana Technological University examined the adsorption of collectors on the surfaces of synthetic REMs to assess recovery via flotation. Previous studies showed that the results obtained for Salicyl Hydroxamic Acid (SHA) on rare earth oxides REO), rare earth carbonates (REC), and rare earth phosphates (REP) vary depending on the coordination number (CN) and the …

First-Principles Studies Of Electrical Polarization Effects In Ferroelectrics, Antiferroelectrics And Defects, Louis Alaerts

Dartmouth College Ph.D Dissertations

Over the last few decades, density functional theory (DFT) has emerged as a formidable tool in the field of computational material science. Not only has it become a complementary method approach to experiments by rationalizing the many complex properties of materials but its formidable predictive power can also be used to identify the most promising candidates for specific applications. Point defects in semiconductors have become an important platform for the development of quantum networks due to their ability to act as spin-photon interfaces. Spectral diffusion, the broadening of the optical emission line, can significantly impact the performance of these defect-based …

Low-Field Magnetoresistance In Nanocomposites Of La₀.₇Sr₀.₃Mno₃ And Metal Oxides, Nicholas K. Thiel-Hudson

University Scholar Projects

Pure La_0.7Sr_0.3MnO₃ (LSMO) exhibits colossal magnetoresistance (CMR) with large applied magnetic field over a narrow temperature range (intrinsic behavior), limiting its application to narrow temperature ranges. In contrast, the extrinsic CMR effect originates from inhomogeneities at larger length scales, such as grain boundaries and phase separation, where the structural features act as tunneling barriers, leading to a low-field magnetoresistance (LFMR) response, thereby expanding the application of LSMO into the low-field regime over a broader temperature range. In this work, the magnetotransport behavior of pure LSMO thin film is compared to the composite layered heterostructures of …

Understanding Initial Capacity Loss In Substituted Layered Oxide Cathodes For Lithium-Ion Batteries, Gy Wyco

Graduate Dissertations and Theses

Layered oxide LiCoO₂ (LCO) pioneered the commercialization of lithium-ion batteries (LIBs) in 1991, yet the growing demand for higher energy density has driven the development of substituted layered oxides, including LiNiᵧMn𝓏Co₁₋ᵧ₋𝓏O₂ (NMC) and LiNiᵧCo₁₋ᵧ₋𝓏Al𝓏O₂ (NCA). Despite the increased energy density, achieving full lithium reversibility during the first charge-discharge cycle remains a critical challenge: approximately 0.08–0.11 Li is “irreversibly” lost after delithiation, resulting in a substantial capacity loss of 10–15%. This loss is conventionally attributed to bulk lithium transport limitations arising from three interrelated factors: (1) contraction of the c-axis lattice during lithiation, (2) reduced rate of tetrahedral site hopping (TSH) …

Defect Characterization Of Sic Schottky Barrier Diode Using Deep Level Transient Spectroscopy, Zachary I. Mccoy

Electrical Engineering and Computer Science Undergraduate Honors Theses

The aim of this project is to use deep level transient spectroscopy (DLTS) to energetically evaluate defects by using the carrier concentration dependence on temperature and where these carriers may experience deviation from standard predictions. These defects become apparent through multiple C-V measurements that are swept through a temperature range. By analyzing trends with respect to temperature, the defects can be energetically “located,” and thus identified. This identification can help streamline semiconductor material manufacturing/growth because DLTS identifies potential defect causes by providing data to characterize semiconductor mid-band defects. DLTS can assess nearly all parameters associated with traps/defects including density, thermal …

Multifunctional Pvdf Ionogels With Magnetic Nanoparticles For Electroactive And Magnetic Actuation, Alfredo Carrillo Valverde

Chemical Engineering Undergraduate Honors Theses

The fast development of compact and multifunctional electronics has driven interest in smart materials capable of responding to multiple stimuli. Ionogels, polymers that have been swollen with ionic liquids (IL), offer several favorable electrochemical and thermal properties due to their intrinsic ion conductivity, wide electrochemical window, non-flammability, and high thermal stability. However, their poor mechanical properties (e.g., modulus and strength) limit their use in applications. In this work, multifunctional PVDF ionogel composites were made by blending magnetically responsive iron oxide nanoparticles (Fe₃O₄ MNPs) into the polymer matrix. The influence of MNP concentration (9-21 wt%) on composition, ionic …

Intermediate Stage Densification Kinetics Of High-Entropy Ceramics During Spark Plasma Sintering, Steven M. Smith, William G. Fahrenholtz, Greg E. Hilmas, Stefano Curtarolo

Materials Science and Engineering Faculty Research & Creative Works

The intermediate stage densification kinetics of (Hf, Nb, Ta, Ti, Zr) B2 and (Hf, Nb, Ta, Ti, Zr) C were studied using a Coble creep rate model. (Hf, Nb, Ta, Ti, Zr) B2 was synthesized by boro/carbothermal reduction and (Hf, Nb, Ta, Ti, Zr) C was synthesized by carbothermal reduction. Both ceramics were densified by spark plasma sintering at 1700–1850°C. The activation energies for densification were 575 ± 53 kJ/mol for the high-entropy boride and 646 ± 4 kJ/mol for the high-entropy carbide. The densification mechanisms were grain boundary diffusion for the high-entropy boride and lattice diffusion for the high-entropy …

Effects Of Processing And Microstructure On The Oxidation Of Zrb2-Sic In Co2, Marharyta Lakusta, Jeremy L. Watts, William G. Fahrenholtz, David W. Lipke

Materials Science and Engineering Faculty Research & Creative Works

Oxidation kinetics and oxide scale microstructures were compared for ZrB2-30 vol% SiC composites fabricated by hot press sintering of powders and by pressure less sintering of additively manufactured billets. Oxidation in CO₂ was conducted at temperatures up to 1400 °C with durations up to 900 h. All specimens exhibited parabolic oxidation kinetics. Materials with similar composition but different processing histories exhibited differences in oxidation behavior that become evident at extended durations (200–900 h) and higher temperatures (1200–1400 °C). Oxidation rates generally increased with grain size, e.g., at 1000 °C for 200 h, oxide scale thickness increased from 36 to …

Flexible Microelectrode-Based Impedance Immunosensor For Rapid Detection Of E. Coli O157:H7, Sonatan Kumar Biswas

Graduate Theses and Dissertations

Abstract Food contamination poses a significant threat to public health, the economy, and human health worldwide, occurring at any stage of the food supply chain, from farm to fork. Escherichia coli 0157:H7, recognized as one of the principal causes of foodborne illness, poses a considerable risk to food safety. The primary objective of this investigation is to devise a flexible microelectrode-based immunosensor capable of swiftly identifying E. coli O157:H7 cells without the need for incubation in a pure culture environment. In the development of the biosensor, the gold electrode (composed of 50% Au) underwent an initial coating process involving 2-aminoethanethiol/cysteamine, …

Ultrafast Laser Surface Structuring For Wettability Control On Copper, Akshay Arvind Nagvenkar

All Theses

Wettability is a crucial surface property influencing various phenomena, including heat transfer, cell adhesion, and corrosion. Engineering devices can achieve superior performance by precisely manipulating surface wettability. As a result, extensive research has focused on developing surfaces that exhibit either extreme water attraction (superhydrophilic) or strong water repellency (superhydrophobic). Tailoring surface wettability paves the way for numerous applications, such as drag reduction in marine vessels, controlled drug delivery, efficient water collection, advanced liquid transport systems, oil-water separation, anti-corrosion coatings, friction reduction, and self-cleaning materials. Ultrafast laser surface structuring is a promising approach for engineering multifunctional surfaces, effectively modifying material properties …

Binary Solid/Liquid Equilibrium Of Mixtures Of Thermally Robust Salts And Molecular Compounds For Use As Heat Transfer Fluids, Jared Ridge Mathews

Honors Theses

Fossil fuels, contributors to climate change that may bear catastrophic consequences, power the entire world. The human species is almost entirely dependent on fossil fuels for energy, but other sources of renewable and environmentally friendly energy must be developed. Concentrated solar power (CSP) is a promising source of renewable energy with hampered potential—better heat transfer fluids (HTFs) are needed for it to be economically feasible. Currently, the HTFs in industrial use are predominantly either synthetic oils or nitrate-based molten salts. Synthetic oils are only stable up to 400 °C, and molten salts often have high melting temperatures, making them prone …

Characterizing Heating And Resistance Properties Of Nichrome Burn Wire To Be Used In Cubesat Actuation, Noah Moix

Mechanical Engineering Undergraduate Honors Theses

This thesis investigates the use of Nichrome 60 wire as a burn wire mechanism, commonly utilized in CubeSats and other aerospace engineering applications requiring precise, single-use release systems. The experiment focused on characterizing the thermal and resistive behavior of Nichrome 60 wire under Joule heating conditions. Four wire configurations were tested: 34-gauge and 36-gauge wires, each at lengths of 1 inch and 2 inches. Each configuration was subjected to a constant current until thermal failure occurred. During testing, real-time measurements of electrical resistance and wire temperature were recorded. This data was used to generate resistance vs. temperature profiles for each …

Signal Modeling Of High Purity Germanium Detectors, Brooke Parker Thibodeau

Honors Scholar Theses

Pulse shape analysis can be used to analyze radiation incident on a semiconductor diode detector. Finite element analysis (FEA) can be used to simulate high purity germanium detectors with user-specified geometry, impurity concentration, and bias voltage. Subsequent streamline calculation can be used to conduct pulse shape analysis for single and multiple site gamma-ray interactions within the detector volume. Cross sections of the detector can be visualized by contour plots of the electric field, drift velocity magnitude, and collection time, as well as t30 and t90 rise-time values.

Additive Manufacturing Of Zinc-Based Biomaterials: Fabrication, Performance And Property Evaluation, S. Bandekian, M. Zolfaghari Baghbaderani, J. Drelich, S. Sharif, A.F. Ismail, H. R. Bakhsheshi-Rad

Michigan Tech Publications

The use of zinc and its alloys in additive manufacturing has become an important focus in interventional medical field. This is because zinc as an implant is naturally degradable, has solid mechanical characteristics, and is biocompatible. Biodegradable Zn-based metals made with additive manufacturing offer significant advantages in creating personalized medical implants. This review aims to provide an overview of different types of additive manufacturing methods and processes that can be used in the fabrication of Zn-based medical implants. It offers a comprehensive understanding of additive-manufactured Zn-based alloys for interventional surgeries. The study also summarizes the relationships between degradation properties, mechanical …

Adjustable Dynamometer Motor Mount, Garrett Carson Ng, Elijah Siegel Reuven, Ethan Fong, Daniel Larimer

Mechanical Engineering

The Cal Poly Electrical Engineering Department and sponsor Dr. Dolan needs a manufacturable motor fixture that securely aligns motors of various sizes with dynamometers. Previous lab motor fixtures could not accommodate motors of different sizes, making precise alignment between motors and dynamometers time-consuming and unreliable. Our team developed a modular, manufacturable fixture capable of aligning various motor sizes quickly, accurately, and securely, enhancing lab consistency and usability.

Development And Characterization Of A Pro-Angiogenic Peptide Amphiphile For Deep Dermal Burn Healing Via Spray Delivery, Loria Dimartino

Honors Theses

Severe burns and other dermatological injuries are frequently accompanied by a range of comorbidities and aesthetic challenges that patients must contend with. The complexity of burn care is exacerbated by the lack of a standardized surgical protocol, as treatment strategies are tailored to individual patient factors, including overall health status, wound size and location, as well as the expertise and resources available to the surgical team. Most commonly, deep dermal burns are treated through grafting, which effectively covers the injury site, but requires the creation of a second wound on the body of approximately the same size. This produces a …

Tuning The Morphology Of Triblock Copolymers Via Homopolymer Blending, John F. Searles

Honors Theses

Morphology plays an important role in the physical properties of block copolymer (BCP) materials. Depending on the type of morphology and chemical composition of the blocks, BCPs are used in applications ranging from soft biomaterials for biomedical devices to rigid materials for ballistics protection. Due to incompatibility between comonomers and required block weight ratios to achieve targeted morphologies, it is generally necessary to use complex, time-consuming, and expensive synthetic techniques to prepare BCPs. As a result, there is increased interest in the development of new processing methods to tailor block copolymer morphology without the need for additional synthesis. The morphological …

Interfacial Defect Properties Of High-Entropy Carbides: Stacking Faults, Shockley Partial Dislocations, And A New Evans-Polanyi-Semenov Relation, Samuel E. Daigle, Stefano Curtarolo, William G. Fahrenholtz, Jon Paul Maria, Douglas E. Wolfe, Eva Zurek, Donald W. Brenner

Materials Science and Engineering Faculty Research & Creative Works

Using first principles calculations, {111} intrinsic stacking fault (ISF) energies in groups IVB, VB, and VIB high-entropy transition metal carbides (HETMCs) are shown to be predictable from an optimized rule of mixtures based on the atomic arrangement near the stacking fault. A composition-independent linear relationship is demonstrated between the ISF energies and the unstable stacking fault (USF) energies along the (112¯){111} γsurface slip path. This relationship represents a new application of the Evans-Polanyi-Semenov principle by treating the ISF and USF energies as analogous to the heat of reaction and transition state barrier in chemical reactions. Further, a full defect energy …

Deciphering And Translating Bioinspired Structures For Engineering Materials Design Via Computational Modeling And Machine Learning, Zhangke Yang

All Dissertations

Nature has evolved extraordinary structural materials—such as nacre, bone, and the mantis shrimp’s dactyl club—that achieve remarkable combinations of strength, toughness, and impact resistance. These properties arise from sophisticated synergies between structure and composition. Inspired by these biological systems, this dissertation presents a comprehensive investigation into bioinspired materials, uncovering fundamental mechanisms and providing guidance on designing materials with superior mechanical properties.

This dissertation begins by examining the "brick-and-mortar" structure of nacre, which informs the design of layered polymer-graphene nanocomposite films. Using coarse-grained molecular dynamics simulations, I elucidate mechanisms of dynamic wave propagation and energy dissipation in these systems, providing critical …