Engineering Science and Materials Commons^™

Quantifying Temperature-, Pressure-, And Nuclear Quantum Effects On Hydrophobic And Hydrophilic Water-Mediated Interactions, Justin T. Engstler

Dissertations, Theses, and Capstone Projects

Water-mediated interactions (WMIs) are responsible for diverse processes in aqueous solutions, including protein folding and nanoparticle aggregation. WMI may be affected by changes in temperature and pressure, and hence, they can alter chemical/physical processes that occur in aqueous environments. Traditionally, attention has been focused on hydrophobic interactions while, in comparison, the role of hydrophilic and hybrid (hydrophobic–hydrophilic) interactions have been mostly overlooked. Here, we study the role of T and P on the WMI between nanoscale (i) hydrophobic–hydrophobic, (ii) hydrophilic–hydrophilic, and (iii) hydrophilic–hydrophobic pairs of (hydroxylated/non-hydroxylated) graphene-based surfaces. We find that hydrophobic, hydrophilic, and hybrid interactions are all sensitive to …

Application Of Multi-Scale Computational Techniques To Complex Materials Systems, Mujan N. Seif

Theses and Dissertations--Chemical and Materials Engineering

The applications of computational materials science are ever-increasing, connecting fields far beyond traditional subfields in materials science. This dissertation demonstrates the broad scope of multi-scale computational techniques by investigating multiple unrelated complex material systems, namely scandate thermionic cathodes and the metallic foam component of micrometeoroid and orbital debris (MMOD) shielding. Sc-containing "scandate" cathodes have been widely reported to exhibit superior properties compared to previous thermionic cathodes; however, knowledge of their precise operating mechanism remains elusive. Here, quantum mechanical calculations were utilized to map the phase space of stable, highly-faceted and chemically-complex W nanoparticles, accounting for both finite temperature and chemical …

Nano-Engineered Soft Magnets: Potential Application In Water Treatment, Hyperthermia And Molecular (Organic) Magnets, Yohannes Weldemariam Getahun

Open Access Theses & Dissertations

Scrutinizing the remarkable and tunable properties of magnetic materials at a nanoscale size "There's Plenty of Room at the Bottom..." Richard Feynman, this study attempts to find sustainable solutions to some of the deteriorating environmental, health, and energy problems the world is encountering. Due to their simple preparation, surface adaptability, and tunable magnetic and optical properties, magnetic nanoparticles have been extensively investigated in water treatment, cancer therapy, data storage, and more. However, relying on non-reusable and chemical-based treatment agents in water, complex and costly cancer treatment procedures and molecular magnets that operate far below room temperature limited those attempts from …

Synthesis And Consolidation Of Metal Oxide Nanocrystals Via Nonthermal Plasma, Austin Cendejas

McKelvey School of Engineering Theses & Dissertations

Nonthermal plasmas offer a unique nonequilibrium environment that has been leveraged in a wide variety of applications in the fields of material processing, lighting, and waste management to name a few. In all of these cases, the plasma serves as a source of high energy electrons, ions, reactive gas species, and radicals that interact in several ways with surfaces brought into contact with the plasma. Specifically, nonthermal plasmas have been shown to be very successful in achieving continuous, high-throughput, monodisperse nanocrystals of a wide variety of materials. The crystallinity of nanoparticles synthesized in nonthermal plasmas can be attributed to the …

Characterization Of Electrophoretic Deposited Zinc Oxide Nanopartices For The Fabrication Of Next-Generation Nanoscale Electronic Applications, Fawwaz Abduh A. Hazzazi

LSU Doctoral Dissertations

Several reports state that it is crucial to analyze nanoscale semiconductor materials and devices with potential benefits to meet the need for next-generation nanoelectronics, bio, and nanosensors. The progress in the electronics field is as significant now, with modern technology constantly evolving and a greater focus on more efficient robust optoelectronic applications. This dissertation focuses on the study and examination of the practicality of Electrophoretic Deposition (EPD) of zinc oxide (ZnO) nanoparticles (NPs) for use in semiconductor applications.

The feasibility of several synthesized electrolytes, with and without surfactants and APTES surface functionalization, is discussed. The primary objective of this study …

Rational Design Of Composite Nanomaterials For Water Treatment Applications, Mariana Marcos-Hernandez

Open Access Theses & Dissertations

Water quantity and quality have been affected in communities all around the world due to population growth, pollution, changes in land use, and climate change. In order to cope with existing and anticipated water demands and shortages, the use of treated or reclaimed water is an ongoing alternative that has helped communities all over the world address this problem. The adaptation of nanotechnology to traditional water and wastewater treatment processes offers new opportunities in technological developments. Unique size-dependent properties such as: high surface to mass ratio, high reactivity, high sorption capacities, fast dissolution, superparamagnetism, among others, provide high-tech efficient materials …

Molecular Dynamics Simulations Of Self-Assemblies In Nature And Nanotechnology, Phu Khanh Tang

Dissertations, Theses, and Capstone Projects

Nature usually divides complex systems into smaller building blocks specializing in a few tasks since one entity cannot achieve everything. Therefore, self-assembly is a robust tool exploited by Nature to build hierarchical systems that accomplish unique functions. The cell membrane distinguishes itself as an example of Nature’s self-assembly, defining and protecting the cell. By mimicking Nature’s designs using synthetically designed self-assemblies, researchers with advanced nanotechnological comprehension can manipulate these synthetic self-assemblies to improve many aspects of modern medicine and materials science. Understanding the competing underlying molecular interactions in self-assembly is always of interest to the academic scientific community and industry. …

Optical Engineering Of Iii-Nitride Nanowire Light-Emitting Diodes And Applications, Ha Quoc Thang Bui

Dissertations

Applications of III-nitride nanowires are intensively explored in different emerging technologies including light-emitting diodes (LEDs), laser diodes, photodiodes, biosensors, and solar cells. The synthesis of the III-nitride nanowires by molecular beam epitaxy (MBE) is investigated with significant achievements. III-nitride nanowires can be grown on dissimilar substrates i.e., silicon with nearly dislocation free due to the effective strain relaxation. III-nitride nanowires, therefore, are perfectly suited for high performance light emitters for cost-effective fabrication of the advanced photonic-electronic integrated platforms. This dissertation addresses the design, fabrication, and characterization of III-nitride nanowire full-color micro-LED (µLED) on silicon substrates for µLED display technologies, high-efficient …

Multifunctional Polydopamine Nanomaterials For Biomedical And Environmental Applications, Hamed Gholami Derami

McKelvey School of Engineering Theses & Dissertations

Polydopamine (PDA), a synthetic and organic material, has emerged as a promising materialplatform for various applications in energy, environmental, and biomedical fields. PDA, formed by self-polymerization of dopamine, is rich in catechol and amine groups, which facilitate covalent conjugation and/or other non-covalent interactions with organic and inorganic materials. It is highly biocompatible, biodegradable, has broadband light absorption spectrum and excellent light-to-heat conversion efficiency. Also, it is easy to synthesize and functionalize. The combination of excellent characteristics of polydopamine-based nanomaterials, make them a promising adsorbent agent for environmental wastewater treatment and photothermal agent for biomedical applications. In the first half of …

Surface Modification Of Ii-Vi Semiconducting Nanocrystals, Calynn Morrison

Arts & Sciences Electronic Theses and Dissertations

This dissertation presents the compositional analysis of semiconductor materials by inductively coupled plasma optical emission spectroscopy (ICP-OES), a novel low-temperature shell growth precursor and installation pathway, and L-type for Z-type ligand exchange experiments conducted with four metal dithiocarbamate ligands. The techniques employed in the compositional analysis of semiconductor materials by inductively coupled plasma optical emission spectroscopy (ICP-OES) have a profound influence on the accuracy and reproducibility of the results. In Chapter 3, we describe methods for sample preparation, calibration, standard selection, and data collection. Specific protocols are suggested for the analysis of II-VI compounds and nanocrystals containing the elements Zn, …

Development Of Light Actuated Chemical Delivery Platform On A 2-D Array Of Micropore Structure, Hojjat Rostami Azmand, Hojjat Rostami Azmand

Dissertations and Theses

Localized chemical delivery plays an essential role in the fundamental information transfers within biological systems. Thus, the ability to mimic the natural chemical signal modulation would provide significant contributions to understand the functional signaling pathway of biological cells and develop new prosthetic devices for neurological disorders. In this paper, we demonstrate a light-controlled hydrogel platform that can be used for localized chemical delivery in a high spatial resolution. By utilizing the photothermal behavior of graphene-hydrogel composites confined within micron-sized fluidic channels, patterned light illumination creates the parallel and independent actuation of chemical release in a group of fluidic ports. The …

Strengthening Mechanisms In Nanocrystalline Silver-Nickel Nanolayered Materials, Malcolm Ryan Pringle

Graduate College Dissertations and Theses

Among all metals, silver has the highest electrical conductivity but also is one of the softest materials under mechanical deformation. Therefore, developing means and methods for strengthening silver without reducing conductivity is critically important for its use as a conductive electrode material in various engineering applications such as solar cells and touchscreen displays. This thesis presents a molecular-dynamics simulation study of strengthening mechanisms by intercalating nanocrystalline silver films with amorphous nickel layers, characterizing the structure of nanolayered material prototypes obtained by sputtering deposition technique. The objectives of the thesis are three-fold: To study the effects of Ni layer thickness and …

Spectroscopic Investigations Of Excited Charge Carriers In Ii-Vi Nanoparticles, William Matthew Sanderson

Arts & Sciences Electronic Theses and Dissertations

The large absorption cross sections and the tunability of the energetic spacings between the states in the conduction (CB) and valence band (VB) within a semiconductor nanoparticle (NP) make them promising media for capturing electromagnetic radiation and converting it into charge carriers, or electricity. In photovoltaic devices that incorporate semiconductor NPs, it would be ideal if every photon could be absorbed by a NP and the carriers could be collected with perfect efficiency and without loss of energy. The relaxation pathways of the carriers within the NPs down to the band edge and their fate at the band edge contribute …

Multiscale Modeling Of Carbon Fibers/Graphene Nanoplatelets/Epoxy Hybrid Composites For Aerospace Applications, Hashim Al Mahmud

Dissertations, Master's Theses and Master's Reports

Significant research effort has been dedicated for decades to improve the mechanical properties of aerospace polymer-based composite materials. Lightweight epoxy-based composite materials have increasingly replaced the comparatively heavy and expensive metal alloys used in aeronautical and aerospace structural components. In particular, carbon fibers (CF)/graphene nanoplatelets (GNP)/epoxy hybrid composites can be used for this purpose owing to their high specific stiffness and strength. Therefore, this work has been completed to design, predict, and optimize the effective mechanical properties of CF/GNP/epoxy composite materials at different length scales using a multiscale modeling approach. The work-flow of modeling involves a first step of using …

Development Of Software Tools And Experimental In Situ Electron Spin Resonance For Characterizing The Magnetic And Electrocatalytic Properties Of Transition Metal Chalcogenide Crystals, Jose Armando Delgado

Open Access Theses & Dissertations

Studying the magnetic properties and crystal defects of transition metal chalcogenide crystals is of paramount importance for utilizing them for next generation spintronics devices and hydrogen evolution reaction catalysts. Hydrothermally grown transition metal chalcogenide nanocrystals (MoS2, Ru2S3, Rh2S3, Co2S8) were chosen as catalysts for the hydrogen evolution reaction due to their low dimensionality and previous utilization as catalysts for hydrodesulfurization. The relationship between crystal defect sites and catalytic activity must be discerned to maximize the efficiency of hydrogen production during the hydrogen evolution reaction. ESR spectroscopy was utilized as a spin sensitive technique to study the defects and local changes …

Fabrication, Development, And Characterization Of Hipco Swcnt - Alginate Hydrogel Composites For Cellular Product Applications, Fabian Armando Alvarez-Primo

Open Access Theses & Dissertations

In this study, we designed, synthesized, and characterized ultrahigh purity single-walled carbon nanotube (SWCNT)-alginate hydrogel composites. Among the parameters of importance in the formation of an alginate-based hydrogel composite with single-walled carbon nanotubes, are their varying degrees of purity, their particulate agglomeration and their dose-dependent correlation to cell viability, all of which have an impact on the resultant compositeâ??s efficiency and effectiveness towards biomedical applications. To promote their homogenous dispersion by preventing agglomeration of the SWCNT, at first, we used three different surfactants-sodium dodecyl sulfate (SDS-anionic), cetyltrimethylammonium bromide (CTAB-cationic), and Pluronic F108 (nonionic). After experimentation and corroboration through evidence obtained …

Modeling And Simulation Of Driven Nanopatterning Of Bulk-Material And Thin-Film Surfaces, Ashish Kumar

Doctoral Dissertations

Material nanostructures such as nanowires, quantum dots, and nanorings have a wide variety of applications in electronic and photonic devices among numerous others. Assembling uniformly arranged and consistently sized nanostructure patterns on solid material surfaces is a major challenge for nanotechnology. This dissertation focuses on developing predictive models capable of simulation and analysis of such nanopattern formation on bulk material and strained thin film surfaces. Single-layer atomic clusters (islands) of sizes larger than a critical size on crystalline conducting substrates undergo morphological instabilities when driven by an externally applied electric field or thermal gradient. We have conducted a systematic and …

Enzymatic Biofuel Cells In A Sandwich Geometry With Compressed Carbon Nanotubes/Enzyme Electrodes & Hybrid Patch Applications, Biao Leng

Dissertations

Enzymatic biofuel cells (EBFCs) convert the chemical energy of biofuels, such as glucose and methanol, into electrical energy by employing enzymes as catalysts. In contrast to conventional fuel cells, EBFCs have a simple membrane-free fuel cell design due to the high catalytic specificity of the enzymes, but the power densities obtained are lower. Although the primary goal of research on EBFCs has been to develop a sustainable power source that can be directly implanted in the human body to power bio-devices, other applications such as the use of a flexible film or fuel cell patch as a wearable power source …

Multifunctional Properties Of Gan Nws Applied To Nanometrology, Nanophotonics, And Scanning Probe Microscopy/Lithography, Mahmoud Behzadirad

Optical Science and Engineering ETDs

GaN nanowires are promising for optical and optoelectronic applications because of their waveguiding properties and large optical bandgap. Recent researches have shown superior mechanical properties of GaN nanowires which promises their use in new research areas e.g. nanometrology. In this work, we develop a scalable two-step top-down approach using interferometric lithography as well a bottom-up growth of NWs using MOCVD, to manufacture highly-ordered arrays of nanowires with atomic surface roughness and desired aspect-ratios to be used in nanophotonics and atomic precision metrology and lithography. Using this method, uniform nanowire arrays were achieved over large-areas (~1 mm²) with aspect-ratio …

Defect Chemistry And Ion Intercalation During The Growth And Solid-State Transformation Of Metal Halide Nanocrystals, Bo Yin

McKelvey School of Engineering Theses & Dissertations

Abstract of the Dissertation

Defect Chemistry and Ion Intercalation During the Growth and Solid-State Transformation of Metal Halide Nanocrystals

Semiconductor metal halides as light-sensitive materials have applications in multiple areas, such as photographic film, antibacterial agents and photocatalysts. One focus of this dissertation is to achieve novel morphologies of ternary silver bromoiodide (AgBr1-xIx, 0

For the silver halide system, we demonstrate that the anion composition of AgBr1-xIx nanocrystals determines their shape through the introduction of twin defects as the nanocrystals are made more iodide-rich. AgBr1-xIx nanocrystals grow as single-phase, solid solutions with the rock salt crystal structure for anions compositions …

Tunable Electronic And Optical Properties Of Low-Dimensional Materials, Shiyuan Gao

Arts & Sciences Electronic Theses and Dissertations

Two-dimensional (2D) materials with single or a few atomic layers, such as graphene, hexagonal boron nitride (h-BN) and transition metal dichalcogenides (TMDCs), and the heterostructures or one-dimensional (1D) nanostructures they form, have attracted much attention recently as unique platforms for studying many condensed-matter phenomena and holds great potentials for nanoelectronics and optoelectronic applications. Apart from their unique intrinsic properties which has been intensively studied for over a decade by now, they also allow external control of many degrees of freedom, such as electrical gating, doping and layer stacking. In this thesis, I present a theoretical study of the electronic and …

Metal Segregation During The Solidification Of Titanium-Aluminum Alloys For 3d Printing Applications, Jwala Parajuli

Master's Theses

Titanium-Aluminum alloys are one of the widely used alloys in multiple engineering applications. They are highly preferred in Selective Laser Melting (SLM) processes due to their low density, high melting temperature, and good strength. Segregation occurs during the solidification of most alloys and produces a non-uniform distribution of atoms. In SLM, segregation may depict the type of adhesion between the two deposited interfacial layers and the strength between the interphase between an already solidified layer and a new one, and overall, the quality of the printed part. In order to avoid segregation, the understanding of the segregation behavior at atomistic …

High Strain Rate Dynamic Response Of Aluminum 6061 Micro Particles At Elevated Temperatures And Varying Oxide Thicknesses Of Substrate Surface, Carmine Taglienti

Masters Theses

Cold spray is a unique additive manufacturing process, where a large number of ductile metal micro particles are deposited to create new surface coatings or free-standing structures. Metallic particles are accelerated through a gas stream, reaching velocities of over 1 km/s. Accelerated particles experience a high-strain-rate microscopic ballistic collisions against a target substrate. Large amounts of kinetic energy results in extreme plastic deformation of the particles and substrate. Though the cold spray process has been in use for decades, the extreme material science behind the deformation of particles has not been well understood due to experimental difficulties arising from the …

Microwave Acoustic Saw Resonators For Stable High-Temperature Harsh-Environment Static And Dynamic Strain Sensing Applications, Anin K. Maskay

Electronic Theses and Dissertations

High-temperature, harsh-environment static and dynamic strain sensors are needed for industrial process monitoring and control, fault detection, structural health monitoring in power plant environments, steel and refractory material manufacturing, aerospace, and defense applications. Sensor operation in the aforementioned extreme environments require robust devices capable of sustaining the targeted high temperatures, while maintaining a stable sensor response. Current technologies face challenges regarding device or system size, complexity, operational temperature, or stability.

Surface acoustic wave (SAW) sensor technology using high temperature capable piezoelectric substrates and thin film technology has favorable properties such as robustness; miniature size; capability of mass production; reduced installation …

Magnetic And Catalytic Properties Of Transition Metal Doped Mos2 Nanocrystals, Luis Martinez

Open Access Theses & Dissertations

Magnetism and catalytic activity of nanoscale layered two-dimensional (2D) transition metal dichalcogenides (TMDs) have gained an increasing research interest in the recent past. To broaden the current knowledge and understanding on this subject, in this work, together with my collaborators, I study the magnetic and electrocatalytic properties of hydrothermally grown pristine and transition metal doped (10% of Co, Ni, Fe and Mn) 2H-MoS2 nanosheets/nanocrystals (NCs), with the particle size of 25-30 nm. A broad range of experimental measurements such as x-ray diffraction, transmission electron microscopy, x-ray photo absorption spectroscopy, Raman spectroscopy, magnetic, catalytic and electron spin resonance have been employed …

Functional Bio-Nano Hybrids Through A Precise Control Of Interfacial Interactions At The Nanoscale, Sirimuvva Tadepalli

McKelvey School of Engineering Theses & Dissertations

During the course of evolution, proteins have evolved to perform exquisite functions including structural support, signal transduction, actuation, sensing, catalysis, trafficking, gating, light-harvesting, charge transfer, molecular recognition, self-assembly, self-organization, or combinations of two or more of these functions. A precise control and manipulation of the structure and function of proteins is conceivable with the advent of nanotechnology, which has facilitated the integration of nanomaterials with functional biomolecules to realize bio-nano hybrids with synergistically enhanced functionalities.

At the genesis of bionanotechnology, a paucity in the fundamental understanding of the bio-nano interfaces is a grave impediment to the progress of the field. …

High Performance Silver Diffusive Memristors For Future Computing, Rivu Midya

Masters Theses

Sneak path current is a significant remaining obstacle to the utilization of large crossbar arrays for non-volatile memories and other applications of memristors. A two-terminal selector device with an extremely large current-voltage nonlinearity and low leakage current could solve this problem. We present here a Ag/oxide-based threshold switching (TS) device with attractive features such as high current-voltage nonlinearity (~10¹⁰), steep turn-on slope (less than 1 mV/dec), low OFF-state leakage current (~10^-14 A), fast turn ON/OFF speeds (<75/250 ns), and good endurance (>10⁸ cycles). The feasibility of using this selector with a typical memristor has been demonstrated by physically integrating them …

Ac Susceptibility And Epr Investigations Of Superspin Dynamics In Manganese Oxide Nanoparticles, Mahesh Koirala

Open Access Theses & Dissertations

We have investigated the superspin dynamics of 5 nm and 10 nm mixed state Mn3O4 nanoparticles utilizing ac-susceptibility and electron paramagnetic resonance measurements. The out of phase component of the ac-susceptibility measurements show a magnetic anomaly below (T

Contact Radius And Insulator-Metal Transition In Films Comprised Of Touching Semiconductor Nanocrystals, Deanna M. Lanigan

McKelvey School of Engineering Theses & Dissertations

Nanocrystal assemblies are being explored for a number of optoelectronic applications such as transparent conductors, photovoltaic solar cells, and electrochromic windows. Majority carrier transport is important for these applications, yet it remains relatively poorly understood in films comprised of touching nanocrystals. Specifically, the underlying structural parameters expected to determine the transport mechanism have not been fully elucidated. In this report, we demonstrate experimentally that the contact radius, between touching heavily doped ZnO nanocrystals, controls the electron transport mechanism. Spherical nanocrystals are considered, which are connected by a circular area. The radius of this circular area is the contact radius. For …

Nanoscale Frictional Properties Of Nickel With One-Dimensional And Two-Dimensional Materials, Timothy K. Schlenger

Mechanical Engineering Undergraduate Honors Theses

When looking at the nanoscale, material interface interactions have been observed to exhibit particularly interesting properties. Our research looks into various combinations of carbyne and graphene atop a nickel block to look into the interface friction properties between them. Both the carbyne and graphene are tested using steered molecular dynamics (SMD) in sheering and peeling directions along the surface of the nickel block. These tests are then analyzed by comparing the magnitude of the acting force versus the displacement of the carbon allotrope sample across the nickel block. It is found that as the width of a carbon allotrope sample …