Condensed Matter Physics Commons^™

Ab Initio Studies On Mechanical Properties Of Freestanding Ferroic Monolayers, John Malcolm Davis

Graduate Theses and Dissertations

This thesis explores the role of mechanical properties and elastic couplings in freestanding paradigmatic ferroic monolayers within the framework of density functional theory. This dissertation is comprised of three interconnected published studies: (i) establishing the elastic behavior across a temperature-driven phase transition in SnSe monolayers; (ii) thermally-driven phase transitions in graphene-like silicene, germanene, and stanene, examining the structural stability and band gap occlusion; and (iii) magnetoelastic coupling in an Ising-like CrSiTe3 monolayer, focused on assessing magnetic contributions to the material stiffness by establishing a proper non-magnetic reference.

Nonlinear Diffusion, Hydrodynamic Cascades And Jamming In Kinetically Constrained Systems: Insights From Lattice Gas Models, Abhishek Raj

Dissertations, Theses, and Capstone Projects

This dissertation investigates non-linear diffusion processes and emergent dynamical phenomena in kinetically constrained lattice gases. Two central models are considered: a one-dimensional lattice gas exhibiting a diffusion cascade triggered by hydrodynamic nonlinearities and a triangular ladder exclusion model that undergoes a jamming transition. The former demonstrates stretched exponential decay consistent with non-perturbative long-time tails, while the latter illustrates how classical-quantum mappings yield insight into glassy dynamics and mobility constraints. Through a combination of numerical simulations, analytical perturbation theory, and mean-field approximations, the work uncovers mechanisms underlying anomalous transport, jamming transitions, and the breakdown of perturbative hydrodynamics.

Multi-Nuclear Magnetic Resonance (Nmr) Characterization Of Novel Materials, Tawhid Pranto

Dissertations, Theses, and Capstone Projects

The increasing reliance on batteries in commercial products, coupled with the environmental challenges posed by climate change and the limitations of fossil fuel consumption, has created strong financial and environmental incentives to explore innovative energy storage solutions. Renewable energy sources are being actively developed, but their intermittent nature necessitates efficient storage technologies, driving significant research into improving the performance of batteries, fuel cells, and capacitors.

This thesis focuses on the application of advanced Nuclear Magnetic Resonance (NMR) spectroscopy to study and understand novel materials for energy storage applications, with an emphasis on electrolytes for rechargeable lithium-ion batteries and all-solid-state batteries. …

Nuclear Magnetic Resonance Characterization For The Study Of Beyond Lithium-Ion Battery Electrolytes, Allen Zheng

Dissertations, Theses, and Capstone Projects

To achieve a sustainable future, key issues in the energy and construction sectors such as the transition from fossil fuels to renewable energy sources and recycling of waste construction materials must be addressed. While fossil fuels offer a high energy density source of quick, consistent energy, renewable energy sources such as wind, solar, and hydroelectric offer intermittent energy output, requiring energy storage systems to maintain steady energy availability for consumers. Lithium-ion batteries (LIBs) are widely used in consumer electronics, electric vehicles, and grid storage due to their high energy density, low self-discharge, and rechargeability. However, they are limited by high …

Developments In The Lithographic Engineering Of Bi2sr2cacu2o8+Delta Mesa Terahertz-Emitting Devices, Sarah Elghazoly

Dissertations, Theses, and Capstone Projects

Devices microfabricated from the high-temperature superconducting cuprate Bi₂Sr₂CaCu₂O_8+𝛿 (Bi-2212) are a promising source of coherent terahertz radiation within the ’terahertz gap’ (0.3- 1.5 THz). A current-biased mesa patterned into the surface of a single crystal will produce electromagnetic radiation in the terahertz regime due to the naturally occurring Josephson junctions formed by the stacks of superconducting cuprate oxide planes in the material separated by insulating BiO and SrO barrier layers. Previous research has shown that by fabricating these mesas such that the geometry supports resonant cavity Fabry-Perot modes, the junctions within the mesa …

Synthesis And Properties Study Of Layered Magnetic Topological Materials, Gokul Acharya

Graduate Theses and Dissertations

The discovery of topological materials (TMs) has opened up exciting opportunities for probing fundamental physics and enhancing innovative device integrations. These materials display various exotic properties, such as large magnetoresistance, high mobility, chiral anomaly, and surface Fermi arcs. The magnetic versions of ZrSiS family, LnSbTe and LnPS (Ln = lanthanide) have attracted intensive attention as these materials provide a new platform to study interplay between magnetism, topological states, and electron correlations. The vast pool of topological materials has provided exciting avenues to precisely engineer the topological states by modulating spin-orbital coupling, electronic dimensionality, and lattice constant through element substitutions. This …

Self Spin-Orbit Torques, Ryan Greening

Electronic Theses and Dissertations

Spin–Orbit torques (SOTs) provide an energy-efficient pathway to control magnetization in nanoscale heterostructures. Recently, spin-orbit coupling within ferromagnets has been shown to generate self spin-orbit torques (SSOTs) on the magnetization itself. Previous work on self spin-orbit torques relies on thick ferromagnets with complicated film structures with chemical disorder or compositional gradients to generate inversion symmetry breaking. This dissertation advances experimental methodology and presents data on the quantification of self spin-orbit torques in magnetic thin films due to the spin-orbit coupling of standard 3d ferromagnets.

First, I develop an oblique-incidence magneto-optical Kerr effect (MOKE) technique that exploits a mirror-assisted double reflection …

Equilibration And Transport Of Binary Mixtures On Planar And Porous Nanomaterials, Andrew Torres

Electronic Theses and Dissertations

We present results of a Kinetic Monte Carlo investigation of the adsorption dynamics of binary gas mixtures on planar and porous sorbents, with a focus on identifying and characterizing kinetic processes involved in uptake evolution and how they influence equilibrium conditions. We also investigate varying thermodynamic simulation parameters such as interactions, alkane lengths, partial pressures and pore configurations to determine how they impact these kinetic processes as well as equilibrium properties. This study matters both for better understanding how kinetics and equilibrium are connected and for improving practical techniques in separation applications. For planar surfaces, weak species overshoot kinetic processes …

A Study Of Wear Measurement And Life Prediction Of Insert Chute Liner On Gold Ore Processing, Ferry Ardika Natanael, Nony Maulidya, Dedi Priadi

Journal of Materials Exploration and Findings

Chutes are critical materials handling assets to transport solid particles from one process step to another in mineral processing, coal mining and cement industries. The material transport, because of material characteristics, cause severe wear on internal lining of chutes or bins’ structure. The wear problem on internal lining of bins or chutes needs to be checked to keep production efficiency. Therefore, not checked wear rate causes liner replacement schedule becomes unpredictable. It leads to production loss and highly cost maintenance in industry. This study shows that condition-based maintenance through regular thickness measurement using Ultrasonic Transducer (UT) to predict life service …

Techno-Enviro-Economic Approach For Electrification Of Rural And Shrimp Farming Regional Development Of An Isolated Island In Indonesia By Utilizing Hybrid Renewable Energy Systems, Fiqih Akbar Wijaya, Mohammad Akita Indianto

Journal of Materials Exploration and Findings

One of the challenges in developing and archipelagic countries such as Indonesia is maintaining energy demand in rural and isolated areas due to difficulties in electrical distribution. For instance, in areas like Bawean Island, no additional electricity capacity has been introduced in the past year, leading to an unmet potential customer demand. One of the possible options is by utilizing Hybrid Renewable Energy Systems (HRES) that are integrated with existing fossil fuel-based energy systems to support the growing energy demand in the remote island. A case study in Bawean Island is conducted with the projected energy demand covers the energy …

Remaining Life Assessment And Fitness For Service Evaluation Of Aging Chemical Reactors In Polyethylene Terephthalate Resin Industry, Aditya Pahlawan Munthe, Donanta Dhaneswara, Wahyuaji Narottama Putra, Gama Widyaputra

Journal of Materials Exploration and Findings

Aging chemical reactors in the polyethylene terephthalate (PET) resin industry require comprehensive evaluation to ensure safe continued operation. This study conducts a remaining life assessment (RLA) and fitness-for-service (FFS) evaluation on five 30-year-old reactors, based on API 510, API 579/ASME FFS-1, and ASME BPVC Section VIII Div. 1 standards. The analysis involves corrosion rate measurement, future corrosion allowance (FCA) projection, and minimum thickness verification. Among the reactors, R-120 was found to have the shortest remaining life less than 15 years. FFS assessments using three criteria Average Measured Thickness, MAWP from Point Thickness Readings, and Minimum Measured Thickness confirm that R-120 …

Analysis Of Leak Testing Planning For Carbon Dioxide Piping Systems In The Development Of Carbon Capture, Utilization, And Storage Facilities In The Bintuni Basin, Devi Sentiani, Akhmad Herman Yuwono Professor

Journal of Materials Exploration and Findings

Carbon Capture, Utilization, and Storage (CCUS) technologies have become a key strategic response to global efforts to reduce CO₂ emissions. This study presents a leak testing strategy designed for a carbon dioxide (CO₂) piping system as part of a Carbon Capture, Utilization, and Storage (CCUS) project in the Bintuni Basin, West Papua, Indonesia. This study aims to ensure the system is properly prepared before commissioning by designing a leak test plan that is both practical and technical, based on ASME B31.3, ASME PCC-2, and API STD 520 Part 1. We conducted the process, which involves identifying the system boundaries, …

Pylro: A Python Calculator For Analyzing Long-Range Structural Order, Kevin Parrish

UNLV Theses, Dissertations, Professional Papers, and Capstones

We present PyLRO, an open-source Python calculator designed to detect, quantify, and display long-range order in periodic structures. The program’s design methodology, workflow, and approach to order quantification are thoroughly described and demonstrated using a simple toy model. Great care is considered in the detailing of the calculation logic, as is standard in the development of computational methods. Additionally, we apply PyLRO to a series of metastable AlPO4 structural intermediates from a prior high-pressure study, demonstrating how to compute and visualize structural order in all directions on a Miller sphere. We further highlight the program’s capabilities through a high-throughput analysis …

Time-Evolved Constant Voltage Conductivity Measurements Of Common Spaceborne Polymeric Materials, Brian Wood, David King, Jr Dennison

Journal Articles

Long-duration current measurements were made for low-density polyethylene (LDPE), polyimide (PI), polyether ether ketone (PEEK), and biaxially oriented polypropylene (BOPP) to determine their bulk conductivity near room temperature as a function of time. These common thin-film spacecraft material samples were vacuum baked to remove moisture and volatile contaminants to better simulate space conditions. The constant voltage conductivity (CVC) method used a very stable, low-noise dc voltage source and measured the resulting current in a parallel plate geometry. Due to the extremely low conductivity of these four polymeric materials, extended experiments of up to ten days were necessary to establish equilibrium …

Aluminum Doped Tin Sulfide Thin Films For Solar Cell Applications, Gabriel Rodriguez Guijarro

Open Access Theses & Dissertations

Tin sulfide (SnS) is theorized to be a suitable material for solar cells, but there are some difficulties that have not been overcome when making thin films that have the properties needed to compete with other materials. This work investigates the structural and optoelectronic properties of aluminum-doped SnS thin films, deposited via magnetron cosputtering physical vapor deposition at different temperatures. To characterize the films a variety of techniques were used: Raman spectroscopy, SEM, TEM, X-Ray Reflectivity, and UV-Vis spectroscopy. The results show that the target stoichiometry is a relevant parameter to take into account when growing SnS thin films, the …

Low Energy Ion Irradiation Effects In Electronic Devices And Materials, David C. Mccall

All Dissertations

The physics and engineering of ion-solid interactions are governed by the ion beam characteristics (flux, charge, energy) and target(s) in question. Here I present work on two projects related to the extraction of a high flux of low charge state Argon ions from a commercial plasma source and the irradiation of an engineered target, a transistor, with high charge state Argon ions.

An end-Hall ion source that produces a a high current plasma of ions and electrons in a rough vacuum environment is characterized. Using a Langmuir probe and multiple pressure measurements, the ion and electron content of the source …

Advancing Lithium-Ion Batteries Through Exploration Of Novel Physico-Chemical Phenomena, Peshal Karki

All Dissertations

Lithium-ion batteries (LIBs) power a wide range of modern devices, from smartphones to electric vehicles. This dissertation integrates materials characterization and electrochemical testing to develop novel Si-based electrode materials, investigate separator effects, and improve electrochemical impedance spectroscopy (EIS) modeling. First, I synthesized Si@CC composites using bio-based carbon sources and discovered a novel in situ disorder reduction in the amorphous carbon cloud during cycling, attributed to Si volume fluctuations and mesoporous carbon structure, which enhanced capacity retention. A binder-free electrode (Si@CC@BP) using bucky paper further improved gravimetric and areal capacities while reducing weight and manufacturing complexity.

Next, I investigated how separator …

Ferroelectricity And Multiferroicity In Ultrathin Films Of Unconventional Transition Metal Oxide, Xin Li

Department of Physics and Astronomy: Dissertations, Theses, and Student Research

Ferroic orders of transition metal oxides, such as ferroelectricity and ferromagnetism, are determined by the intercoupling between spin, charge, lattice. Consequently, ferroic epitaxial thin films have attracted wide interest due to the profuse novel phenomena and the great application potentials for modern electronics. However, the mainstream of the study for transition metal oxides has focused on perovskite structure, limiting the understanding and discovery of novel phenomena associate with ferroic orders. In this thesis, the epitaxial films of hexagonal rare-earth ferrites (h-RFeO₃) and fluorite-structure hafnia oxide (HfO₂) are studied comprehensively, providing new experimental and theoretic …

Study On Self-Interaction Errors In Molecular Properties And Magnetic Behaviour Of 2d Materials Under External Stimuli Using Density Functional Theory, Prakash Mishra

Open Access Theses & Dissertations

Density Functional Theory (DFT) has established itself as a practical and versatile method for efficiently studying the properties of materials of solids and molecules. Despite being exact in principle, in practice, DFT calculations rely on an approximation for the exchange-correlation energy functional of the electron density. This results in an erroneous interaction of the electron with itself, known as the self-interaction error (SIE). It arises from the fact that the exchange self-interaction does not exactly cancel out the Coulomb self-interaction. Due to this error, the approximate one-electron potential decays exponentially in the asymptotic region rather than exhibiting the correct ?1 …

A Systematic Approach To The Characterization Of Liquid-Vapor Coexistence In Platinum, Meghan K. Lentz

Physics & Astronomy ETDs

Platinum is a material standard used in high pressure and shock compression experiments at Sandia National Laboratories. During experiments, materials are subjected to a very large range of thermodynamic conditions, during which materials regularly enter the liquid-vapor coexistence region. Despite its status as a standard, the region around the liquid-vapor critical point is poorly understood for platinum, with reported critical temperatures spanning approximately 7000 K. In this dissertation we conduct density functional theory based molecular dynamics (DFTMD) simulations for platinum for a range of temperatures and densities near liquid-vapor coexistence. The phase diagram for platinum is refined near the critical …