Engineering Commons^™

Predicting Structures And Properties Of Transition Metal Dichalcogenide Alloys Using Density Functional Theory, Lucas R. Bruzgulis

Nanoscale Science & Engineering (discontinued with class year 2014)

Workflows for computationally simulating transition metal dichalcogenides using density functional theoretic methods and cluster expansion were established, as implemented in the Quantum ESPRESSO and Alloy Theoretic Automated Toolkit computer codes, respectively. Effects of energy cutoff values and k-point density on convergence of DFT results were investigated for the MoS2 structure, and theoretic band structure calculations for MoS2 and WS2 were performed. The MoXW(1-X)S2 alloy system was also investigated using the maps code in the Alloy Theoretic Automated Toolkit in order to generate a composition vs energy plot. The application of Special Quasi-random Structures to further research into TMDC alloy systems …

Graphene’S Electronic Surface States On Metal Substrates, Alex De Palma

Nanoscale Science & Engineering (discontinued with class year 2014)

Graphene is a 2-­‐D sheet of sp2 bonded carbon atoms with exceptional electrical properties. Particularly, graphene has a very high carrier mobility (~200,000 cm2/V·∙s). This is largely due to graphene’s unique electronic structure, wherein charge carriers are effectively massless Dirac fermions. However, the unique electronic structure of graphene has been shown to be affected by the underlying substrate. In this study, we characterize the electronic structure of graphene on copper. Electron energy loss spectroscopy is employed to observe the surface plasmon excitations of graphene. A small pi plasmon excitation is observed, suggesting that the graphene/Cu interaction is weak and non-­‐covalent. …

Size Controlled Formation Of A Collagen-Based Drug Delivery System, Leonardo Bezerra

Nanoscale Science & Engineering (discontinued with class year 2014)

This study investigates and troubleshoots various factors involved in the generation of collagen-based particles, such as volume of solution, temperature, and incubation time for the purposes of a potential colorectal cancer targeting drug vehicle. The particles were generated via loading into a gel mold and show a 20-200 fold decrease in size compared to those created only under chemical means.

Optimization And Modeling Of An Energy Harvesting Optical Micropropeller For Microfluidic Applications, Jacqueline Elwood

Nanoscale Science & Engineering (discontinued with class year 2014)

The design and materials optimization of a optical micropropeller comprised of silver nanorods on a fused silica substrate was developed. A combination of surface plasmon resonance, thermophoretic and convective forces enable rotation of the micropropeller in an aqueous environment. This work aims to eliminate the dependence of optical micropropellers on the requirement for a light source by relying on a blackbody radiation energy harvesting principle. This energy harvesting principle is able to plasmonically excite noble metal nanorods of a specific aspect ratio at specific wavelengths that correspond to an ambient temperature. By investigating the dependence of the aspect ratio and …

Optimization And Modeling Of An Energy Harvesting Optical Micropropeller For Microfluidic Applications, Jerry Shih

Nanoscale Science & Engineering (discontinued with class year 2014)

Geometry for a plasmonically active micro-propeller is designed in Matlab using a Metallic Nano-Particle Boundary Element Method (MNPBEM) toolbox in order to predict its optical response in long wavelengths of electromagnetic radiation. Electric field maps are plotted to determine the feasibility generating torque using the energy harvesting principle. Results indicate electric field lines that would promote rotation and the scattering cross section would cause nano-rods sitting on the propeller to radiate thermal energy. COMSOL modeling is performed to model the evolution natural convection currents as a result of the nano-rod heating which is then optimized to further promote rotation of …

Modeling Secondary Electron Trajectories In Scanning Electron Microscopes, Kevin Mcnamara, Joshua Miller

Nanoscale Science & Engineering (discontinued with class year 2014)

The efficiency of secondary electron collection by a scanning electron microscope detector is not generally known, particularly as the electric field on the detector is varied. It is often assumed that the detector collects almost all of the secondary electrons emitted from the sample. This works seeks to better understand the mechanism of secondary electron collection by the detector in order to optimize collection efficiency. The benefit of collecting more secondary electrons is the enhancement of the signal-to-noise ratio, which means better quality images can be obtained, allowing us to better understand the relationship between secondary electron images and the …

Modeling Secondary Electron Trajectories In Scanning Electron Microscopes, Joshua Miller, Kevin Mcnamara

Nanoscale Science & Engineering (discontinued with class year 2014)

The efficiency of secondary electron collection by a scanning electron microscope detector is not generally known, particularly as the electric field on the detector is varied. It is often assumed that the detector collects almost all of the secondary electrons emitted from the sample. This works seeks to better understand the mechanism of secondary electron collection by the detector in order to optimize collection efficiency. The benefit of collecting more secondary electrons is the enhancement of the signal-to-noise ratio, which means better quality images can be obtained, allowing us to better understand the relationship between secondary electron images and the …

Acceleration Of Ddscat Computation By Parallelization On A Supercomputer, Manoj V. Seeram

Chemical Engineering Undergraduate Honors Theses

The DDSCAT software is enabled for use of MPI or OpenMP to distribute calculation of different particle orientations amongst multiple processors on a high performance system. Run times for these simulations have been tested to take hours or days however and simulating varying orientations is not always necessary. If a simulation with only one particle orientation is submitted, DDSCAT could still potentially parallelize the simulation by wavelength calculations but it is unknown if this is the case. In this paper, we will be (i) quantifying the reduction in computation time that MPI provides relative to an equivalent MPI disabled simulation …

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 …

Atomic Force Microscopy Based Dna Analysis, Drew Creighton

Mechanical Engineering Undergraduate Honors Theses

This report explores dry and wet scanning of a surface and DNA pickup using an AFM, as well as fluorescent staining of DNA. Dry and wet scans of DNA were obtained using a cantilever AFM tip in tapping mode. Dry scans were found to be clearer than wet scans; however, the drying process was found to decrease the thickness of DNA 2–4 times less than its original thickness. Alternately, wet scans were found to be less clear than dry scans and introduced more noise into the images obtained. Additionally, DNA kept its initial thickness during wet scanning. DNA was capable …

Non-Directional Conjugation Of Fluorescent Antibodies To Gold Nanoparticles For Stem Cell Therapy, Kunal B. Shah

Biomedical Engineering Undergraduate Honors Theses

The objective of this study was to design citrate-coated gold nanoparticles conjugated with FITC-IgG, a fluorescent antibody, and to qualitatively and quantitatively measure the resulting fluorescent emission. Optical properties of the gold nanoparticles were measured at various stages to provide evidence of successful conjugation. The absorbance spectrum of the citrate gold nanoparticles was compared to that of the reaction mixture containing the gold nanoparticles and the FITC-IgG. A noticeable broadening of the absorption peak was observed at 519 nm indicating a surface modification of the gold nanoparticles. Fluorescence data was obtained with a fluorospectrometer and revealed a significant amount of …

Optical Analysis And Fabrication Of Micro And Nanoscale Plasmonically Enhanced Devices, Avery M. Hill

Mechanical Engineering Undergraduate Honors Theses

Plasmonic nanostructures have been shown to act as optical antennas that enhance optical devices due to their ability to focus light below the diffraction limit of light and enhance the intensity of the incident light. This study focuses on computational electromagnetic (CEM) analysis of two devices: 1) GaAs photodetectors with Au interdigital electrodes and 2) Au thin-film microstructures. Experiments showed that the photoresponse of the interdigital photodetectors depend greatly on the electrode gap and the polarization of the incident light. Smaller electrode gap and transverse polarization give rise to a larger photoresponse. It was also shown that the response from …

Numerical And Experimental Studies Of Atomic Layer Deposition For Sustainability Improvement, Dongqing Pan

Theses and Dissertations

Atomic layer deposition (ALD) is an approved nano-scale thin films fabrication technique with remarkable uniformity and conformity in surface geometry. This dissertation presents numerical and experimental studies to investigate the transient physical and chemical ALD process in order to improve its sustainability performance in terms of throughput, wastes and emissions.

To be specific, in this dissertation, the transient process of ALD is studied extensively through both numerical and experimental approaches to find the influential factors on the two main critical sustainability issues: low throughput and negative environmental impacts. Different numerical schemes are developed and studied for ALD process simulations. In …

Direct Band Gap Gallium Antimonide Phosphide (Gasbxp1-X) For Solar Fuels., Harry Benjamin Russell

Electronic Theses and Dissertations

Photoelectrochemical water splitting has been identified as a promising route for achieving sustainable energy future. However, semiconductor materials with the appropriate optical, electrical and electrochemical properties have yet to be discovered. In search of an appropriate semiconductor to fill this gap, GaSbP, a semiconductor never tested for PEC performance is proposed here and investigated. Density functional theory (DFT+U) techniques were utilized to predict band gap and band edge energetics for GaSbP alloys with low amount of antimony. The overall objective of this dissertation is to understand the suitability of GaSb_xP_1-x alloys for photoelectrochemical water splitting application. Specifically, …

Optical Analysis And Fabrication Of Micro And Nanoscale Plasmonically Enhanced Devices, Avery M. Hill

Physics Undergraduate Honors Theses

Plasmonic nanostructures have been shown to act as optical antennas that enhance optical devices due to their ability to focus light below the diffraction limit of light and enhance the intensity of the incident light. This study focuses on computational electromagnetic (CEM) analysis of two devices: 1) GaAs photodetectors with Au interdigital electrodes and 2) Au thin-film microstructures. Experiments showed that the photoresponse of the interdigital photodetectors depend greatly on the electrode gap and the polarization of the incident light. Smaller electrode gap and transverse polarization give rise to a larger photoresponse. It was also shown that the response from …

Effects Of Surface Topography And Vibrations On Wetting: Superhydrophobicity, Icephobicity And Corrosion Resistance, Rahul Ramachandran

Theses and Dissertations

Concrete and metallic materials are widely used in construction and water industry. The interaction of both these materials with water and ice (or snow) produces undesirable results and is therefore of interest. Water that gets absorbed into the pores of dry concrete expands on freezing and can lead to crack formation. Also, the ice accretion on concrete surfaces such as roadways can have disastrous consequence. Metallic components used in the water industry undergo corrosion due to contact with aqueous corrosive solutions. Therefore, it is desirable to make concrete water/ice-repellent, and to make metallic surfaces corrosion-resistant.

Recent advances in micro/nanotechnology have …

Phase-Field Models For Simulating Physical Vapor Deposition And Microstructure Evolution Of Thin Films, James Stewart Jr.

Graduate Theses and Dissertations

The focus of this research is to develop, implement, and utilize phase-field models to study microstructure evolution in thin films during physical vapor deposition (PVD). There are four main goals to this dissertation. First, a phase-field model is developed to simulate PVD of a single-phase polycrystalline material by coupling previous modeling efforts on deposition of single-phase materials and grain evolution in polycrystalline materials. Second, a phase-field model is developed to simulate PVD of a polymorphic material by coupling previous modeling efforts on PVD of a single-phase material, evolution in multiphase materials, and phase nucleation. Third, a novel free energy functional …

Kinetics Of Length Scale Dependent Deformation Of Gold Microspheres And Micropillars, A Z M Ariful Islam

Electronic Thesis and Dissertation Repository

In this thesis length and time scale dependence of the operative plastic deformation mechanisms in Au is studied. Uniaxial compression tests were performed at various loading rates on FIB-milled Au micropillars and single-crystalline Au microspheres of diameter ranging from 0.8 to 6.0 µm to investigate the incipient and bulk plasticity events. Constant-load ambient-temperature creep tests were performed on the micropillars to study the time-dependent plasticity at very slow strain rates. Uniaxial compression tests were also performed on coated Au microspheres to study the effect of extrinsic constraint on the deformation mechanisms.

During uniaxial compression, both the Au micropillars and microspheres …

Doped Tio2 Nanowires For Applications In Dye Sensitized Solar Cells And Sacrifical Hydrogen Production, Qasem Alsharari

Electronic Thesis and Dissertation Repository

This thesis explores the synthesis of metal oxide 1-D nanowires using a sol-gel method in supercritical carbon dioxide (sc-CO₂), as an environmental friendly enabling solvent. Porous nanowires were synthesized and their performance was tested in dye sensitized solar cell and sacrifical hydrogen production. Titanium isopropoxide (TIP) was used as a precursor for titania synthesis while copper, bismuth and indium were examined as dopants, respectively. The sol-gel reactions were catalyzed by acetic acid in CO₂ at a temperature of 60 °C and pressure of 5000 psi. It was observed that acetic acid/monomer ratio > 4 produced nanowires while a …

Engineered Quantum Dots For Eva Nanocomposite Films And Tio2 Photocatalysts, Md Abdul Mumin

Electronic Thesis and Dissertation Repository

Light absorbing inorganic nanoparticles in transparent plastics such as poly(ethylene-co-vinyl acetate) (EVA) are of enormous interest in emerging solar materials, including photovoltaic (PV) modules and commercial greenhouse films. Quantum dots (QDs) have the potential to absorb UV light and selectively emit visible light. However, how to stabilize the QDs for long product life spans without "blinking" while enabling their easy integration into polymer systems is lacking. This work examines different approaches for loading mesoporous silica encapsulated QDs into EVA polymer films which can control plant growth in greenhouses or enhance PV panel efficiencies.

Highly luminescent CdS and CdS-ZnS core-shell QDs …

Al/Ti Nanostructured Multilayers: From Mechanical, Tribological, To Corrosion Properties, Sina Izadi

USF Tampa Graduate Theses and Dissertations

Nanostructured metallic multilayers (NMMs) are well-known for their high strength in smaller bilayer thicknesses. Six Al/Ti (NMM) with different individual layer thickness were tested for their mechanical hardness using a nanoindentation tool. Individual layer thicknesses were chosen carefully to cover the whole confined layer slip (CLS) model. Nano-hardness had a reverse relation with the square root of individual layer thickness and reached a steady state at ~ 5 nm bilayer thickness. Decreasing the layer bilayer thickness from ~ 104 nm to ~ 5 nm, improved the mechanical hardness up to ~ 101%. Residual stresses were measured using grazing incident X-ray …

The Change In Nutritional Status In Traumatic Brain Injury Patients: A Retrospective Descriptive A Retrospective Descriptive Study, Dina A. Masha'al

USF Tampa Graduate Theses and Dissertations

There is a high prevalence in malnutrition among traumatic brain injury (TBI) due to the hypermetabolism and hypercatabolism which develop post injury. Traumatic brain injury patients are different, even among themselves, in their energy requirements and response to nutritional therapy. This implies that there are other factors that affect the energy intake of these patients and enhance the incidence of malnutrition.

This dissertation study examines the nutritional status of TBI patients upon admission to the intensive care unit (ICU) and during their hospital stay to describe baseline status, detect changes in nutritional status over 7 days, and identify the factors …

Ultra-Thin Boron Nitride Films By Pulsed Laser Deposition: Plasma Diagnostics, Synthesis, And Device Transport, Nicholas Robert Glavin

Open Access Dissertations

This work describes, for the first time, a pulsed laser deposition (PLD) technique for growth of large area, stoichiometric ultra-thin hexagonal and amorphous boron nitride for next generation 2D material electronics. The growth of boron nitride, in this case, is driven by the high kinetic energies and chemical reactivities of the condensing species formed from physical vapor deposition (PVD) processes, which can facilitate growth over large areas and at reduced substrate temperatures. The use of optical emission spectroscopy during plasma growth provides insight into chemistry, kinetic energies, time of flight data, and spatial distributions within a PVD plasma plume ablated …

Nanoscale Phonon Thermal Conductivity Via Molecular Dynamics, Jonathan M. Dunn

Open Access Theses

Molecular dynamics (MD) simulations provide a useful and simple means of calculating the nanoscale thermal properties of materials, which requires special analysis since the thermal properties of materials change when their dimensions reach the nanoscale. In this research, MD is used to investigate the nanoscale phonon thermal transport of materials that are attracting much interest in the areas of materials science and nuclear physics. In order to evaluate two distinct methods of calculating the thermal conductivity of materials using MD, the simulation methods are first applied to Si. Once an understanding of each simulation method is established, they are then …

Energy Harvesting Using Photovoltaic And Betavoltaic Devices, Ashish Sharma

Doctoral Dissertations

There is an important need for improvement in both cost and efficiency of photovoltaic cells. For improved efficiency, a better understanding of solar cell performance is required. An analytical model of thin-film silicon solar cell, which can provide an intuitive understanding of the effect of illumination on its charge carriers and electric current, is proposed. The separate cases of homogeneous and inhomogeneous charge carrier generation rates across the device are investigated. This model also provides for the study of the charge carrier transport within the quasi-neutral and depletion regions of the device, which is of an importance for thin-film solar …

Immobilization Of Cellulase For Large Scale Reactors To Reduce Cellulosic Ethanol Cost, Dezhi Zhang

Doctoral Dissertations

Cellulosic ethanol is an alternative renewable energy source. Cellulase used in the production of cellulosic ethanol is very expensive. The difficulty in separating cellulase from the cellulose solution after the hydrolysis process limits the reusability of the cellulase, which highly precludes the scales of this application because of the high cost of the enzyme. Immobilization of cellulase provides a promising approach to allow the enzyme to be recycled, thus reducing the production cost. This research focused on immobilizing cellulase for reuse to reduce the cellulosic ethanol cost.

Four immobilization techniques were explored for the immobilization of cellulase on four different …

Manufacturing Polyacrylonitrile Nanowires And Nanofibers For Sensing And Energy Storage Applications, Juan Chen

Doctoral Dissertations

A novel flow guided assembly approach is presented to well align and accurately position nanowire arrays in pre-defined locations with high throughput and large scale manufacturing capability. In this approach, polyacrylonitrile (PAN)/N, N-dimethylformamide (DMF) solution is first filled in an array of microfluidic channels. Then a gas flow is introduced to blow out most solutions while pushing a little leftover against the channel wall to assemble into polymer nanowires. In this way, highly-ordered nanowires are conveniently aligned in the flow direction and patterned along both sides of the microchannels. In this study, we demonstrated this flow-guided assembly process by producing …

Tunable Controlled Release Of Molecular Species From Halloysite Nanotubes, Divya Narayan Elumalai

Doctoral Dissertations

Encouraged by potential applications in rust coatings, self-healing composites, selective delivery of drugs, and catalysis, the transport of molecular species through Halloysite nanotubes (HNTs), specifically the storage and controlled release of these molecules, has attracted strong interest in recent years. HNTs are a naturally occurring biocompatible nanomaterial that are abundantly and readily available. They are alumosilicate based tubular clay nanotubes with an inner lumen of 15 nm and a length of 600-900 nm. The size of the inner lumen of HNTs may be adjusted by etching. The lumen can be loaded with functional agents like antioxidants, anticorrosion agents, flame-retardant agents, …

Enhanced Bioactive Scaffolds For Bone Tissue Regeneration, Sonali Karnik

Doctoral Dissertations

Bone injuries are commonly termed as fractures and they vary in their severity and causes. If the fracture is severe and there is loss of bone, implant surgery is prescribed. The response to the implant depends on the patient's physiology and implant material. Sometimes, the compromised physiology and undesired implant reactions lead to post-surgical complications. [4, 5, 20, 28] Efforts have been directed towards the development of efficient implant materials to tackle the problem of post-surgical implant failure. [ 15, 19, 24, 28, 32]

The field of tissue engineering and regenerative medicine involves the use of cells to form a …

Clay Nanotube Composites For Antibacterial Nanostructured Coatings, Christen J. Boyer

Doctoral Dissertations

A surging demand for the development of new antimicrobial nanomaterials exists due to the frequency of medical device-associated infections and the transfer of pathogens from highly touched objects. Naturally occurring halloysite clay nanotubes (HNTs) have shown to be ideal particles for polymer reinforcement, time-release drug delivery, nano-reactor synthesis, and as substrate material for nanostructured coatings.

This research demonstrates the feasibility of a novel method for coating HNTs with metals for antibacterial applications. The first ever ability to coat HNTs through electrolysis was developed for customizable and multi-functional antibacterial nanoparticle platforms. HNTs were investigated as substrate for the deposition of copper …