Physical Sciences and Mathematics Commons^™

Plasmonic Devices Based On Transparent Conducting Oxides For Near Infrared Applications, Kim Jongbum

Open Access Dissertations

In the past decade, there have been many breakthroughs in the field of plasmonics and nanophotonics that have enabled optical devices with unprecedented functionalities. Even though remarkable demonstration of at photonic devices has been reported, constituent materials are limited to the noble metals such as gold (Au) and silver (Ag) due to their abundance of free electrons which enable the support of plasmon resonances in the visible range. With the strong demand for extension of the optical range of plasmonic applications, it is now a necessity to explore and develop alternative materials which can overcome intrinsic issues of noble metals …

Development Of A Novel Polymer-Garnet Solid State Composite Electrolyte Incorporating Li-La-Zr-Bi-O And Polyethylene Oxide, Muhammed Ramazan Oduncu

Open Access Theses

Current lithium ion batteries are comprised of organic liquid electrolytes - a mixture of lithium salts and binary solvents such as ethylene carbonate (EC) and dimethyl carbonate (DMC). The main drawbacks of this liquid mixture related to safety are flammability of the organic solvents and chemical instability with the electrode materials. To date, various ceramic and polymer materials have been considered which overcome safety issues. However, a common problem of these solid state materials is that they are not able to provide high ionic conductivity at ambient temperatures. Garnet-type cubic Li7La 3Zr2O12 ceramic material has attracted much interest because of …

Polymerizable Lipids For Controlled Functionalization Of Layered Materials, Kortney Kaye Rupp

Open Access Theses

Self-assembled monolayers (SAM’s) offer a straightforward approach to tailoring the interfacial properties of metals, metal oxides and semiconductors. Noncovalent functionalization of single-layer graphene offers the possibility to finely tune surface chemistry for future applications in electronics. Polymerization of photochemically reactive molecules in a lying-down phase has been used to increase the strength of intermolecular interactions between long alkanes and HOPG substrates. Long-chain fatty acid derivatives with internal diyne groups yield a conjugated ene-yne polymer upon UV irradiation. Diyne lipids with phosphocholine (diyne PC) and phosphoethanolamine (diyne PE) groups offer a charged form of the head group that is robust towards …

Energy Transfer And Localization In Molecular Crystals, Mitchell A. Wood

Open Access Dissertations

With the aim of developing new technologies for the detection and defeat of energetic materials, this collection of work was focused on using simulations to characterize materials at extremes of temperature, pressure and radiation. Each branch of the work here is collected by which material response is potentially used as the detectable signal.

Where the chemical response is of interest, this work will explore the possibility of non-statistical chemical reactions in condensed-phase energetic materials via reactive molecular dynamics (MD) simulations. We characterize the response of three unique high energy density molecular crystals to different means of energy input: electric fields …

Experimental Constraints On Exotic Spin-Dependent Interactions Using Specialized Materials, Rakshya Khatiwada

Open Access Dissertations

Various theories predict the possible existence of symmetry violating forces with mesoscopic range interactions from mm-m [1]. These forces can arise from the coupling of a spin 0 boson to spin 1/2 fermions through scalar (gs) and pseudoscalar (gp) couplings. We discuss two experiments that can investigate these interactions using nucleon rich, impressively low magnetic susceptibility (5-100 times lower than pure water) test masses and electron-spin rich, polarized test masses (spin density: 10^20 h/cm3 ). The first experiment looks for a P-odd, T-odd interaction potential proportional to (S.r) where S is the spin of one particle and r is the …

Transport Studies In Graphene-Based Materials And Structures, Jiuning Hu

Open Access Dissertations

Graphene, a single atomic layer of graphite, has emerged as one of the most attractive materials in recent years for its many unique and excellent properties, inviting a broad area of fundamental studies and applications. In this thesis, we present some theoretical/experimental studies about the thermal, electronic and thermoelectric transport properties in graphene-based systems. We employ the molecular dynamic simulations to study the thermal transport in graphene nanoribbons (GNRs) exhibiting various properties, including chirality dependent thermal conductivity, thermal rectification in asymmetric GNRs, defects and isotopic engineering of the thermal conductivity and negative differential thermal conductance (NDTC) at large temperature biases. …

Growth Of Low Disorder Gaas/Algaas Heterostructures By Molecular Beam Epitaxy For The Study Of Correlated Electron Phases In Two Dimensions, John D. Watson

Open Access Dissertations

The unparalleled quality of GaAs/AlGaAs heterostructures grown by molecular beam epitaxy has enabled a wide range of experiments probing interaction effects in two-dimensional electron and hole gases. This dissertation presents work aimed at further understanding the key material-related issues currently limiting the quality of these 2D systems, particularly in relation to the fractional quantum Hall effect in the 2^nd Landau level and spin-based implementations of quantum computation.^ The manuscript begins with a theoretical introduction to the quantum Hall effect which outlines the experimental conditions necessary to study the physics of interest and motivates the use of the semiconductor growth …

Effects Of Energetic Irradiation On Materials And Devices Based On Graphene And Topological Insulators, Isaac Childres

Open Access Dissertations

This report focuses on the optical and electronic properties of graphene and topological insulators and how these Dirac fermion systems interact with energetic irradiation. We first present data exploring the effects of electron-beam and oxygen plasma induced disorder on the electronic properties and Raman spectra of graphene. These initial investigations were important for relating Raman peak intensities and weak localization features to each other and to an average disorder length in graphene, L_D. ^ We then integrate gate-effect measurements into the Raman spectroscopy study to fully explore the relationships between carrier density, disorder and Raman spectrum signatures. We …

Digital Image Correlation Of Heterogeneous Deformations In Polycrystalline Material With Electron Backscatter Diffraction, Javier Esquivel

Open Access Theses

This work establishes the ability to conduct digital image correlation (DIC) investigations at varying length scales. DIC allows for a computational method of strain field measurements using multiple images to track random speckle patterns on material surfaces. The use of a powder silicon oxide speckle allows for high optical magnification correlation using conventional load frames. Self-assembling gold nanoparticles provide sub-micron resolution speckle patterns to study microstructure influences on deformation using scanning electron microscopy. The complex microstructure in aerospace grade aluminum and nickel-based superalloys, give rise to varied deformation fields, which can be studied using electron backscatter diffraction. Specimen preparation techniques, …

High-Purity Gallium Analysis By Inductively Coupled Plasma Mass Spectrometry, Kyungjean Min

Open Access Theses

The mobility of Two-dimensional Electron Gas in AlGaAs/GaAs heterostructures that are grown in the Molecular Beam Epitaxy (MBE) can be increased by purification of the gallium used to grow the films. To attain 200 million cm2/Vs mobility, the impurity concentration of gallium should be reduced to below 1 ppb. The commercial 7N (99.99999%) gallium with 100 ppb total impurity is currently used in the MBE at Purdue University and is being purified by zone refining. To evaluate the commercial 7N gallium and establish the methodology for the impurity measurement after zone refining, germanium, iron, and zinc in 6N and 7N …

Preparation & Characterization Of High Purity Cu2 Znsn(Sxse1-X)4 Nanoparticles, Bethlehem G. Negash

Open Access Theses

Research in thin film solar cells applies novel techniques to synthesize cost effective and highly efficient absorber materials in order to generate electricity directly from solar energy. Of these materials, copper zinc tin sulfoselenide (Cu₂ZnSn(S_xSe_1-x) ₄) nanoparticles have shown great promise in solar cell applications due to optimal material properties as well as low cost & relative abundance of materials.^1,2 Sulfoselenide nanoparticles have also a broader impact in other industries including electronics³, LED ⁴, and biomedical research⁵. Of the many routes of manufacturing these class of semiconductors, …

Nickel Aluminum Shape Memory Alloys Via Molecular Dynamics, Keith Ryan Morrison

Open Access Theses

Shape memory materials are an important class of active materials with a wide range of applications in the aerospace, biomedical, and automobile industries. These materials exhibit the two unique properties of shape memory and superelasticity. Shape memory is the ability to recover its original shape by applying heat after undergoing large deformations. Superelasticity is the ability to undergo large, reversible deformations (up to 10%) that revert back when the load is removed. These special properties originate from a reversible, diffusionless solid-solid phase transformation that occurs between a high temperature austenite phase and a low temperature martensite phase. The development of …

Cztsse Thin Film Solar Cells : Surface Treatments, Chinmay S. Joglekar

Open Access Theses

Chalcopyrite semiconducting materials, specifically CZTS, are a promising alternative to traditional silicon solar cell technology. Because of the high absorption coefficient; films of the order of 1 micrometer thickness are sufficient for the fabrication of solar cells. Liquid based synthesis methods are advantageous because they are easily scalable using the roll to roll manufacturing techniques.

Various treatments are explored in this study to enhance the performance of the selenized CZTS film based solar cells. Thiourea can be used as a sulfur source and can be used to tune band gap of CZTSSe. Bromine etching can be used to manipulate the …

Effect Of Multivalent Ions On The Swelling And Mechanical Behavior Of Superabsorbent Polymers (Saps) For Mitigation Of Mortar Autogenous Shrinkage, Qian Zhu

Open Access Theses

The chemical and physical structure-property relationships of model superabsorbent polymer (SAP) hydrogels were characterized with respect to swelling behavior and mechanical properties in different ionic solutions (Na+ , Ca2+ , and Al3+ ). The model hydrogels were composed of poly(sodium acrylate-acrylamide) (PANa-PAM) copolymer with varying concentrations of PANa (0, 17, 33, 67, and 83 wt.%) and covalent crosslinking densities of 1, 1.5, and 2 wt.%. By synthesizing the hydrogels in-house, systems with independently tunable amounts of covalent crosslinking and anionic functional groups were created, allowing for the relative effects of covalent and ionic crosslinking on the properties of the hydrogels …

Response Of Plasma Facing Components In Tokamaks Due To Intense Energy Deposition Using Particle-In-Cell(Pic) Methods, Filippo Genco

Open Access Dissertations

Damage to plasma-facing components (PFC) due to various plasma instabilities is still a major concern for the successful development of fusion energy and represents a significant research obstacle in the community. It is of great importance to fully understand the behavior and lifetime expectancy of PFC under both low energy cycles during normal events and highly energetic events as disruptions, Edge-Localized Modes (ELM), Vertical Displacement Events (VDE), and Run-away electron (RE). The consequences of these high energetic dumps with energy fluxes ranging from 10 MJ/m2 up to 200 MJ/m2 applied in very short periods (0.1 to 5 ms) can be …

Modeling The Atomic And Electronic Structure Of Metal-Metal, Metal-Semiconductor And Semiconductor-Oxide Interfaces, Ganesh Krishna Hegde

Open Access Dissertations

The continuous downward scaling of electronic devices has renewed attention on the importance of the role of material interfaces in the functioning of key components in electronic technology in recent times. It has also brought into focus the utility of

atomistic modeling in providing insights from a materials design perspective. In this thesis, a combination of Semi Empirical Tight-Binding (TB), first-principles Density

Functional Theory and Reactive Molecular Dynamics (MD) modeling is used to study aspects of the electronic and atomic structure of three such 'canonical' material interfaces - Metal-Metal, Metal-Semiconductor and Semiconductor oxide interfaces.

An important contribution of this thesis …

The Effect Of Composition On The Linear And Nonlinear Mechanical Properties Of Particulate Filled Elastomers, Oluwaseyi Ogebule

Open Access Dissertations

Engineering elastomers are materials capable of undergoing large deformation upon load application and recovering upon load removal. From car tires to building vibration isolator systems, elastomers are the most versatile of engineering materials. The inclusion of particulate fillers into elastomers enhances their mechanical properties (modulus, tensile strength, toughness, tear resistance, etc) thereby extending their applicability to more demanding functions. The automotive, healthcare, construction, adhesives and consumer products are some of the many industries that produce finished goods containing elastomeric parts.

Despite the various concepts on reinforcement in filled elastomers, a complete understanding of their linear viscoelastic properties and the nonlinear …

Utilizing Electron Microscopy And Spectroscopy Methods To Understand Water Structure And Water Doping, Lior Miller

Open Access Dissertations

Water is the second most common element in the universe and the most studied material on earth. Most of the studies concerning water are from the fields of chemistry and biology. Hence, the structure of water molecules and short range order and interactions are well characterized and understood. However, the collective arrangement of water molecules and the long range order are still missing. Understanding of this long range order in water is needed, as it is the key to many water activities.

To fill this gap, this study utilizes a new direct method for characterization of water in the vapor …

Applicability Of Continuum Fracture Mechanics In Atomistic Systems, Shao-Huan Cheng

Open Access Dissertations

By quantitating the amplitude of the unbounded stress, the continuum fracture mechanics defines the stress intensity factor K to characterize the stress and displacement fields in the vicinity of the crack tip, thereby developing the relation between the stress singularity and surface energy (energy release rate G). This G-K relation, assigning physical meaning to the stress intensity factor, makes these two fracture parameters widely used in predicting the onset of crack propagation. However, due to the discrete nature of the atomistic structures without stress singularity, there might be discrepancy between the failure prediction and the reality of nanostructured materials. Defining …

Accurate Prediction Of Spectral Phonon Relaxation Time And Thermal Conductivity Of Intrinsic And Perturbed Materials, Tianli Feng

Open Access Theses

The prediction of spectral phonon relaxation time, mean-free-path, and thermal conductivity can provide significant insights into the thermal conductivity of bulk and nanomaterials, which are important for thermal management and thermoelectric applications. We perform frequency-domain normal mode analysis (NMA) on pure bulk argon and pure bulk germanium. Spectral phonon properties, including the phonon dispersion, relaxation time, mean free path, and thermal conductivity of argon and germanium at different temperatures have been calculated. We find the dependence of phonon relaxation time τ on frequency ω and temperature T vary from ~ω^-1.3 to ~ω^-1.8 and ~T^-0.8 to ~T^{-1.8 …}