Physical Sciences and Mathematics Commons^™

Physics-Informed Machine Learning Methods For Inverse Design Of Multi-Phase Materials With Targeted Mechanical Properties, Yunpeng Wu

All Dissertations

Advances in machine learning algorithms and applications have significantly enhanced engineering inverse design capabilities. This work focuses on the machine learning-based inverse design of material microstructures with targeted linear and nonlinear mechanical properties. It involves developing and applying predictive and generative physics-informed neural networks for both 2D and 3D multiphase materials.

The first investigation aims to develop a machine learning method for the inverse design of 2D multiphase materials, particularly porous materials. We first develop machine learning methods to understand the implicit relationship between a material's microstructure and its mechanical behavior. Specifically, we use ResNet-based models to predict the elastic …

Spin And Charge Transport In Metallic Ferrimagnets And Disordered Magnetic Oxides, Leopoldo A. Hernandez

Electronic Theses and Dissertations

Recent efforts have been exploring the use of thin film synthetic ferrimagnets and disordered magnetic oxides for applications in spintronic devices. Due to the antiferromagnetic exchange interaction, ferrimagnetic materials offer the ultrafast dynamics of the antiferromagnetic exchange, with a net magnetization that can be influenced externally. With two, or more, competing ferromagnet sublattices, interesting properties arise that depend on the final magnetic landscape after growth of the material and it’s inherent magnetic anisotropy energies. Properties such as magnetic compensation temperatures, and perpendicular magnetic anisotropy are attractive for applications in spintronic memory and logic devices, some already being implemented in MRAM …

Predicting Rheology Of Uv-Curable Nanoparticle Ink Components And Compositions For Inkjet Additive Manufacturing, Cameron D. Lutz

Master's Theses

Inkjet additive manufacturing is the next step toward ubiquitous manufacturing by enabling multi-material printing that can exhibit various mechanical, electronic, and thermal properties. These characteristics are realized in the careful formulation of the inks and their functional materials, but there are many constraints that need to be satisfied to allow optimal jetting performance and build quality when used in an inkjet 3-D printer. Previous research has addressed the desirable rheology characteristics to enable stable drop formation and how the metallic nanoparticles affect the viscosity of inks. The contending goals of increasing nanoparticle-loading to improve material deposition rates while trying to …

Encapsulated 2d Materials And The Potential For 1d Electrical Contacts, Sarah Wittenburg

Physics Undergraduate Honors Theses

The utilization of two-dimensional materials and heterostructures, particularly graphene and hexagonal boron nitride, have garnered significant attention in the realm of nanoelectronics due to their unique properties and versatile functionalities. This study focuses on the synthesis and fabrication processes of monolayer graphene encapsulated between layers of hBN, aiming to explore the potential of these heterostructures for various electronic applications. The encapsulation of graphene within hBN layers not only enhances device performance but also shields graphene from environmental contaminants, ensuring long-term stability. Experimental techniques, including mechanical exfoliation and stamp-assisted transfer, are employed to construct three-layer stacks comprising hBN-graphene-hBN. The fabrication process …

The Analysis Of Mechanical Exfoliation Of Graphene For Various Fabrication And Automation Techniques, Lance Yarbrough

Mechanical Engineering Undergraduate Honors Theses

Mechanical Exfoliation of Graphene is an often-overlooked portion of the fabrication of quantum devices, and to create more devices quickly, optimizing this process to generate better flakes is critical. In addition, it would be valuable to simulate test pulls quickly, to gain insight on flake quality of various materials and exfoliation conditions. Physical pulls of graphene at various temperatures, pull forces, and pull repetitions were analyzed and compared to the results of ANSYS simulations, solved for similar results. Using ANSYS’ ability to predict trends in exfoliations, flake thickness and coverage using stress and deflection analyses were investigated. Generally, both strongly …

A Comprehensive Investigation Of The Influence Of Geometric Structure On The Shape Memory Performance Of Nafion, Jade Thomas

Mechanical Engineering Undergraduate Honors Theses

While perfluorosulfonic acid (PFSA) membranes have primarily been used in fuel cells due to their chemical, thermal, and mechanical stability, one PFSA, Nafion, boasts two unique characteristics: a broad glass transition (~55 °C to 130 °C) and a temperature-persistent electrostatic network. The combination of these two characteristics endows Nafion with exceptional shape memory properties – the ability of a material to morph and transform into pre-programmed shapes when exposed to an external stimulus – with enhanced permanent shape memorization, and a potentially near-infinite number of temporary shape memorization. This study focused on expanding the base of knowledge surrounding Nafion’s shape …

Engineering Multifunctional Silicon Nanostructures From Biorenewable Cellulose Nanocrystals, Nancy Chen

All Dissertations

The imperative search for alternative materials to address the pressing demand for advance energy storage is underscored by the escalating environmental predicaments. Lithium-ion batteries (LIBs) with graphite anodes have become the benchmark in energy storage; however, they are approaching a saturation point in terms of energy density. Silicon emerges as a promising contender to supplant graphite, owing to its profuse availability, cost-effectiveness, and impressive specific capacity of 4200 mAh g^-1. By integrating silicon anodes, LIBs stand to undergo a radical transformation, markedly diminishing in weight and size, thus heralding a novel wave of compact, lightweight energy storage systems. …

Multimodal Data Fusion And Machine Learning For Advancing Biomedical Applications, Md Inzamam Ul Haque

Doctoral Dissertations

This dissertation delves into the intricate landscape of biomedical imaging, examining the transformative potential of data fusion techniques to refine our understanding and diagnosis of health conditions. Daily influxes of diverse biomedical data prompt an exploration into the challenges arising from relying solely on individual imaging modalities. The central premise revolves around the imperative to combine information from varied sources to achieve a holistic comprehension of complex health issues.

The chapters included here contain articles and excerpts from published works. The study unfolds through an examination of four distinct applications of data fusion techniques. It commences with refining clinical task …

The Analysis Of Mechanical Exfoliation Of Graphene For Various Fabrication And Automation Techniques, Lance Yarbrough

Physics Undergraduate Honors Theses

Mechanical Exfoliation

A Comprehensive Investigation Of The Influence Of Geometric Structure On The Shape Memory Performance Of Nafion, Jade Thomas

Physics Undergraduate Honors Theses

While perfluorosulfonic acid (PFSA) membranes have primarily been used in fuel cells due to their chemical, thermal, and mechanical stability, one PFSA, Nafion, boasts two unique characteristics: a broad glass transition (~55 °C to 130 °C) and a temperature-persistent electrostatic network. The combination of these two characteristics endows Nafion with exceptional shape memory properties – the ability of a material to morph and transform into pre-programmed shapes when exposed to an external stimulus – with enhanced permanent shape memorization, and a potentially near-infinite number of temporary shape memorization. This study focused on expanding the base of knowledge surrounding Nafion’s shape …

Numerical Simulation Of Laser Induced Elastic Waves In Response To Short And Ultrashort Laser Pulses., Alireza Zarei

All Dissertations

In an era of intensified market competition, the demand for cost-effective, high-quality, high-performance, and reliable products continues to rise. Meeting this demand necessitates the mass production of premium products through the integration of cutting-edge technologies and advanced materials while ensuring their integrity and safety. In this context, Nondestructive Testing (NDT) techniques emerge as indispensable tools for guaranteeing the integrity, reliability, and safety of products across diverse industries.

Various NDT techniques, including ultrasonic testing, computed tomography, thermography, and acoustic emissions, have long served as cornerstones for inspecting materials and structures. Among these, ultrasonic testing stands out as the most prevalent method, …

Boron-Doped Diamond As A Resilient Electrode Material In Molten Salts, Hannah Katherine Patenaude

UNLV Theses, Dissertations, Professional Papers, and Capstones

Molten salt chemistry has a range of applications within nuclear technology, including for the Molten Salt Reactors (MSRs) and pyroprocessing to recover valuable actinides for energy and national security needs. However, the high-temperature, corrosive nature of molten salts makes them particularly challenging to deploy on an industrial scale and study in benchtop measurements. Material accountability and corrosion monitoring of MSR fuels are essential components to the successful deployment of MSRs, and electroanalytical techniques like cyclic voltammetry (CV) and spectroelectrochemistry (SEC) can provide a wealth of information to describe salt systems in situ. To perform such measurements, it is imperative to …

Towards A Practical Method For Monitoring Kinetic Processes In Polymers With Low-Frequency Raman Spectroscopy, Robert Vito Chimenti

Theses and Dissertations

Unlike liquids and crystalline solids, glassy materials exist in a constant state of structural nonequilibrium. Therefore, a comprehensive understanding of material kinetics is critical for understanding the structure-property-processing relationships of polymeric materials. Amorphous materials universally display low-frequency Raman features related to the phonon density of states resulting in a broad disorder band for Raman shifts below 100 cm-1, which is related to the conformational entropy and the modulus. This disorder band is dominated by the Boson peak, a feature due to phonon scattering because of disorder and can be related to the transverse sound velocity of the material, and a …

Longitudinal Solid Polarized Target For Clas12 And Study Of Spin Structure Of Nucleons, Pushpa Pandey

Physics Theses & Dissertations

A suite of experiments measuring target-spin observables in electron-nucleon scattering (dubbed Run Group C) was conducted at Jefferson Lab’s Hall B in Newport News, VA with a new polarized nuclear target known as ‘APOLLO’ (Ammonia Polarized Longitudinally). This innovative target is engineered to seamlessly integrate with the advanced 12 GeV CEBAF (Continuous Electron Beam Accelerator Facility) accelerator and the Hall B CLAS12 (12 GeV CEBAF Large Acceptance Spectrometer) detector array. The ‘APOLLO’ target harnesses the power of Dynamic Nuclear Polarization (DNP) to achieve longitudinal polarization of solid ammonia, thereby creating a net polarization in both protons (NH₃) and …

Interfacial Magnetism And Anisotropy In Dirac And Weyl Semimetals, Noah Schulz

USF Tampa Graduate Theses and Dissertations

Semimetals have gained intense interest recently due to their exotic magnetic and electronic properties. One of the most widely studied semimetals is graphene, a Dirac semimetal. The utilization of graphene in devices and sensors requires interfacing it with other materials, which may induce potentially strong interfacial effects. Furthermore, graphene alone does not possess magnetic order. Studying the interfacial effects between graphene and magnetic materials is therefore of great importance in the application of graphene to meet modern technological needs. Furthermore, by understanding the fundamental interfacial physics between graphene and magnetic materials, new properties can be unlocked, broadening the possible applications …

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 …

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 …

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 …

The Effect Of Mechanical Strain On The Electronic Conductivity Of Α- Fe2o3: A Density Functional Theory Study, Sheriff Naziru Abdulmutalib

Theses and Dissertations

Hydrogen has emerged as a promising future energy carrier due to its ability to produce zero carbon dioxide (CO2) emissions when burned. However, the limited natural abundance of hydrogen necessitates the development of cost-effective and environmentally friendly methods for large-scale hydrogen production. Among the different hydrogen production approaches, photoelectrochemical water splitting, which employs a photoanode material in a cell using solar energy to split water into hydrogen and oxygen, is the focus of this work. α-Fe2O3 (hematite) is a photoanode material that shows a promising future for hydrogen generation in a photoelectrochemical cells due to its cheapness, availability, and its …

Applying Synchrotron Saxs And Xas To Study The Microstructure Of Energy Conversion And Storage Materials, Lingzhe Fang

Graduate Research Theses & Dissertations

The microstructure of energy conversion and storage materials is a key determinant of physical properties and electrochemical performance. Synchrotron X-ray techniques, with their strengths of high flux and exceptional brightness, play an irreplaceable role in understanding nano and sub-nano structures. This helps the study of reaction mechanisms and benefits material design in energy conversion and storage area. Electrifying CO2 transformation using renewable energy offers a carbon-neutral solution to CO2 recycling and fuel generation. Among various feedstocks from the CO2 reduction reaction, CO, HCOOH, and CH4 have approached the performance thresholds for industry implementation. The application of single atom catalysts (SACs) …

Photoluminescence Of Beryllium-Related Defects In Gallium Nitride, Mykhailo Vorobiov, Mykhailo Vorobiov

Theses and Dissertations

This study explores the potential of beryllium (Be) as an alternative dopant to magnesium (Mg) for achieving higher hole concentrations in gallium nitride (GaN). Despite Mg prominence as an acceptor in optoelectronic and high-power devices, its deep acceptor level at 0.22 eV above the valence band limits its effectiveness. By examining Be, this research aims to pave the way to overcoming these limitations and extend the findings to aluminum nitride and aluminum gallium nitride (AlGaN) alloy. Key contributions of this work include. i)Identification of three Be-related luminescence bands in GaN through photoluminescence spectroscopy, improving the understanding needed for further material …

Robot-Based 3d Printing, Aaron Hoffman

Williams Honors College, Honors Research Projects

Details of a large-format 3D printer created to print experimental materials, test multi-axis print techniques, and quickly print large objects. The printer consists of a 7-axis robotic arm and pellet extruder, which are controlled by a PC. Experimental materials such as recycled polymers or carbon-fiber reinforced materials can be easily tested with the pellet format of the extruder. The printer can perform different printing techniques and can be used to experiment with material properties when using these techniques with different polymers. The print surface is around 5 times larger than the average commercial 3D printer, and the robotic arm provides …

Design And Performance Of Superconducting Switches For Nanowire Detectors In Magnetic Fields, Timothy James Draher

Graduate Research Theses & Dissertations

Superconducting nanowire devices fit a broad spectrum of applications, including particle detection and quantum computing, and their expanding use across various fields highlights their role in the hybridization of superconducting and conventional semiconductor electronics. Despite their potential, the low signal output of these devices raises challenges in scalability and integration, particularly in applications for nuclear and high-energy physics, where resilience in magnetic fields is becoming a critical optimization factor. The superconducting nanowire cryotron (nTron) addresses these issues by providing operational gain and logic switching in superconducting nanowire circuits, demonstrating adaptability to multiple materials. This dissertation focuses on modifying the conventional …

Corrosion Inhibitors: Mitigating The Degradation Of Rebar, Jake R. Hughes

Williams Honors College, Honors Research Projects

Our conjecture was twofold: first, that two compounds historically used as food preservatives could act as environmentally friendly inhibitors against rebar corrosion, and second, that molecular properties have a quantifiable influence on inhibition efficiency (%IE). To evaluate the two compounds, cyclic potentiodynamic polarization was used to determine corrosion current density (i_corr) and %IE. The “green” inhibitor candidates included sodium metabisulfite and ascorbic acid, which yielded maximum %IE values of -123900% and 91%, respectively. Results indicated that sodium metabisulfite is not a suitable inhibitor, while ascorbic acid showed potential to extend reinforced concrete’s design life without posing health or …

Enhancing Scanning Tunneling Microscopy With Automation And Machine Learning, Darian Smalley

Graduate Thesis and Dissertation 2023-2024

The scanning tunneling microscope (STM) is one of the most advanced surface science tools capable of atomic resolution imaging and atomic manipulation. Unfortunately, STM has many time-consuming bottlenecks, like probe conditioning, tip instability, and noise artificing, which causes the technique to have low experimental throughput. This dissertation describes my efforts to address these challenges through automation and machine learning. It consists of two main sections each describing four projects for a total of eight studies.

The first section details two studies on nanoscale sample fabrication and two studies on STM tip preparation. The first two studies describe the fabrication of …

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

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 …