Materials Science and Engineering Commons^™

Developing Reduced Order Models For Gas Bubble Formation In Irradiated Metals Using Integrated Phase Field Modeling And Koopman Operator Theory, John M. Eggemeyer V

All Theses

Irradiation damage in materials is prevalent in nuclear components, posing significant risks in the safety and reliability of nuclear reactors. Phase field models offer a versatile framework for modeling irradiation damage in materials at mesoscales. Such high fidelity method has been used to model the formation of fission gas bubbles superlattice, a microstructure array occurs at certain irradiation conditions (dose, dose-rate, and temperature). To overcome the high computational cost of phase field modeling, Koopman operator theory is applied to create reduced order models, allowing for instantaneous simulations of fission gas bubble behaviors. These low fidelity models are integrated into machine …

Mechanistic Insights Into Polymer-Assisted Graphene Exfoliation: The Roles Of Velocity, Adhesion, Cohesion, Temperature, Peeling Mode, And Edge Defect Via Coarse-Grained Molecular Dynamics, Linjiale Dai

All Theses

Graphene exfoliation is a critical step in the fabrication of high-quality graphene

layers. However, the underlying fracture mechanisms remain poorly understood. In this

work, I employed coarse-grained (CG) molecular dynamics (MD) simulations to

investigate how factors such as interfacial binding energy, substrate cohesion, temperature,

peeling mode, and edge defects influence the outcome of the exfoliation process. To model

polymer-assisted mechanical exfoliation, I used a finite-size system in which multilayer

graphene (MLG) is sandwiched between two thin polymer films. Leveraging the

spatiotemporal efficiency of the CG model, I performed fifty simulation iterations per

parameter set and analyzed the results from a …

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.

Flowermd: A Flexible Library Of Organic Workflows And Extensible Recipes For Molecular Dynamics And Machine-Learned Coarse-Grained Simulations Of Isotropic And Anisotropic Systems, Marjan Albooyeh

Boise State University Theses and Dissertations

Molecular dynamics (MD) simulations are essential tools for understanding and predicting material behavior at the atomic and molecular scale. While numerous open-source software packages exist for different stages of MD simulations, assembling a seamless, end-to-end workflow for complex multi-step simulations remains a significant challenge. In this work, we develop FlowerMD, a flexible and extensible Python-based software package that automates molecular simulation workflows, improving both reproducibility and ease of use.

FlowerMD provides modular components that simplify the end-to-end execution of MD workflows, from system initialization and force field application to simulation execution. It also automates multi-step simulation workflows through Recipes—predefined, modular …

Additively Manufactured Dic Patterns For Extreme Environments And The Emerging Technology Impact On The Licensing Of Nuclear Reactors, Kaelee Ann Novich

Boise State University Theses and Dissertations

At the end of 2023, countries from the United Nations Climate Change Conference announced to triple nuclear energy capacity by 2050. The United States makes up approximately 30% of the world’s nuclear capacity; however, only 19% of the energy generated in the Nation is from nuclear power plants. Majority of nuclear reactors are over 40 years old, resulting in reactor closures and no new ones being built. Accordingly, it will be impossible to triple nuclear capacity in the next 25 years by relying on only existing reactors. The nuclear fleet must expand to include advanced reactors to meet energy demand …

Exploring Metal Additive Manufacturing In Martian Atmospheric Environments, Zane Mebruer

Mechanical Engineering Undergraduate Honors Theses

On-surface manufacturing is key to the success of a planetary colonization, especially that of Mars. However, traditional subtractive manufacturing processes are equipment, energy, and material intensive, meaning novel additive manufacturing (AM) processes must be pursued for this end. Selective laser melting, one of the most effective and versatile AM methods, would be incredibly beneficial to a Martian mission but requires an artificial argon atmosphere to create effective parts. The purpose of this study was to examine if carbon dioxide, the gas that makes up over 95% of Mars’ surface atmosphere, would be a sufficient substitute for argon in SLM fabrication. …

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 Application Of Computational Tools For Organic Molecular Structure Prediction From Small Molecule Crystal Structure Determination To Polymer Persistence Length, Madilyn E. Paul

Boise State University Theses and Dissertations

This dissertation utilized two areas of computational simulations for organic molecular structure prediction. First, we investigate the possible polymorphism of both barbituric acid dihydrate (BTADH) and violuric acid monohydrate (VAMH) using density functional theory. Crystalline structures that exhibit polymorphism have an increased level of uncertainty in predicting their chemical and physical properties. BTADH was previously thought to undergo a subtle phase transition from P2₁/n to planar Pnma at 217 K. We conclude that barbituric acid dihydrate exhibits crystalline disorder in which the molecules are crystallized in a non-merohedrally twinned P2₁/n configuration below …

Reproducible Infrastructure For Modeling Thermoplastic Polymer Fusion Welding, Chris D. Jones

Boise State University Theses and Dissertations

Aircraft materials must balance the demands of being light-weight and fuel efficient with being safe, durable, and strong. Carbon-fiber reinforced polymer composites are able to meet both of these requirements, and as a result, they are being utilized more and more in aircraft manufacturing. Thermoset polymers are typically used as the matrix material in these composites; however, thermoset polymers require long curing times in large autoclave ovens in order to form chemical cross-links, which once present, cannot be melted upon further heating. As a result, joining smaller thermoset composite parts together to build larger structures requires using mechanical fasteners, which …

Empirical Models For The Prediction Of Lattice Constants In Perovskite Materials, Bryan Wright

Boise State University Theses and Dissertations

Perovskites are a class of materials famous for their many functional properties and are envisioned as a material that will pave the way for scientific advancement in the fields of renewable energy, high tech sensors, lasers, catalysis, computer chips, and many others. This wide variety of applications is not the result of a single fantastic property of perovskite materials but rather stems from the perovskite structure’s ability to display a host of functional properties. One area where there is room for significant improvement is in the rate of perovskite discovery. The high stability of the perovskite structure is responsible for …

Mechanistic Investigation Of Ring-Opening Polymerization Of Polycaprolactone Using Tin(Ii) Catalysts: Ligand Effects And Biomedical Applications, Eva-Larue M. Barber

Honors Scholar Theses

This research explores the mechanistic aspects of ring-opening polymerization (ROP) of ε-caprolactone (CL) to produce polycaprolactone (PCL), a biodegradable polymer widely used in biomedical applications. The study investigates how light exposure and catalyst concentration influence polymerization efficiency, using tin(II) 2-ethylhexanoate [Sn(Oct)₂] as the catalyst in a non-polar toluene solvent at 90 °C. Reactions were conducted under either ambient light or black light bulb (BLB) illumination, with monomer-to-catalyst ratios of 1:1 and 200:1.

Proton nuclear magnetic resonance (¹H NMR) spectroscopy was used to analyze conversion efficiency by tracking the disappearance of monomer signals and appearance of characteristic PCL peaks. Results revealed …

Porous Geopolymer Composite For Geotechnical Applications, Karla Viviana Sierra Flores

Theses and Dissertations

This research investigates the development of a porous geopolymer cement grout for soil grouting applications, aiming to reduce carbon emissions associated with Portland cement while maintaining critical performance characteristics such as strength and permeability. Class F fly ash and metakaolin were used as aluminosilicate precursors, activated by sodium silicate and sodium hydroxide solutions. The addition of hydrogen peroxide served as a foaming agent to introduce porosity by creating a thermodynamic reaction that releases oxygen gas during mixing. Compressive strength, porosity, and hydraulic conductivity were evaluated, with results showing that metakaolin significantly increased compressive strength due to its smaller particle size …

Development And Tribological Characterization Of Uhmwpe-Tin Composite Coatings Deposited By Electrostatic Spraying, Jarrod Keith Perez

Theses and Dissertations

The increasing demand for inert, wear-resistant, cost-efficient, environmentally friendly, and low-friction coatings has driven extensive research into polymer-based solutions. Among these, ultra-high-molecular-weight polyethylene (UHMWPE) has emerged as a strong candidate due to its low density, anticorrosion properties, self-lubricating nature, affordability, and ease of processing. However, its low load-bearing capacity limits its widespread use in high-stress tribological applications. To overcome this limitation, this project investigates the development and characterization of UHMWPE composite coatings reinforced with titanium nitride (TiN) particles at varying concentrations (2.5, 5, and 10 wt%) to enhance their mechanical properties and wear resistance.

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 …

Spin Coater Design With Pid Algorithm Using Polynomial Regression Approach And Bias Tuning For Tio2 Deposition Process, Geo Surya Andika, Nofrijon Sofyan, Donanta Dhaneswara, Akhmad Herman Yuwono

Journal of Materials Exploration and Findings

The thin-film deposition technique using spin coating offers a cost-effective alternative to Chemical Vapor Deposition (CVD) and Physical Vapor Deposition (PVD). The spin-coating process requires precise control of the motor drive system to ensure that the rotational speed, measured in rotations per minute (RPM), aligns with the set point and remains stable. This study presents the design and development of a spin coater prototype to achieve uniform thin-film deposition. The control method employed utilizes a Proportional-Integral-Derivative (PID) algorithm, incorporating a polynomial approach with bias tuning. The PID control was chosen to achieve stable operation in a non-linear system. The performance …

Incorporating Recycled And Repurposed Plastic Into 100% Reclaimed Asphalt Pavement, Basant Bhatt

Graduate Theses and Dissertations (2019 - present)

The increasing awareness of sustainability in the asphalt industry has driven the use of recycled materials like reclaimed asphalt pavement (RAP) and waste plastic. This study examines the incorporation of recycled polypropylene (rPP), recycled high-density polyethylene (rHDPE), and recycled low-density polyethylene (rLDPE) at 0.3%, 0.6%, and 0.8% dosages into 100% RAP, along with the warm mix asphalt additive Evotherm® P25. Laboratory tests were conducted to evaluate the mechanical and durability performance of the modified asphalt mixtures while rutting and fatigue life were evaluated using mechanistic-empirical (ME) analysis in PerRoad software. Both plastic type and dosage had a statistically significant impact …

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 …

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, …

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 …

Manipulating Martensitic Transformation And Residual Stress Development In Stress Superposed Incremental Forming Of Ss304, Elizabeth M. Mamros, Fabian Maaß, Thomas Gnaupel-Herold, A. Erman Tekkaya, Brad L. Kinsey, Jinjin Ha

Faculty Journal Articles

Stress superposition is one of the strategies used in metal deformation processes to increase the material formability, decrease the required forming forces, and create highly customized components. To investigate the effects of tensile and compressive stresses superposed to the single point incremental forming (SPIF) process, experiments and numerical simulations were conducted for a stainless steel 304 (SS304) truncated square pyramid geometry. Tensile stresses were superposed in-plane on the specimen blank by a custom hydraulic frame, and compressive stresses were incorporated via a polyurethane die. Identified parameters for a martensitic transformation kinetics model for SS304 were used in a two-step finite …