Engineering Commons^™

Using Molecular Dynamics Simulations To Decipher Mechanistic Details Of Biomolecular Processes Of Biology And Biotechnology Oriented Applications, Adithya Polasa

Graduate Theses and Dissertations

Researchers in chemistry and biology often utilize computer simulations, in conjunction with experimental data, to model and predict the structures, energies, kinetics, processes, and functions of the systems that are their focus of study, ranging from single molecules to whole viruses. Here, we use molecular dynamics (MD) techniques to gain a deeper understanding of biomolecular processes in biology and biotechnology-oriented applications. Using a mixture of equilibrium and non-equilibrium MD simulations, this work describes the insertion process of YidC at the atomic level. In order to better comprehend the insertion process, several docking models of YidC-Pf3 in the lipid bilayer were …

Incorporation Of Zinc In Pre-Alloyed Cuin[Zn]S2/Zns Quantum Dots, Jean Carlos Morales Orocu

Graduate Theses and Dissertations

Since the early 2000s heavy-metal-free quantum dots (QDs) such as CuInS2/ZnS have attempted to replace CdSe, their heavy-metal-containing counterparts. CuInS2/ZnS is synthesized in a two-step process that involves the fabrication of CuInS2 (CIS) nanocrystals (NCs) followed by the addition of zinc precursors. Instead of the usual core/shell architecture often exhibited by binary QDs, coating CIS QDs results in alloyed and/or partially alloyed cation-exchange (CATEX) QDs. The effect that zinc has on the properties of CIS NCs was studied by incorporating zinc during the first step of the synthesis. Different In:Cu:Zn ratios were employed in this study, maintaining a constant 4:1 …

Analysis Of Photodetector Based On Zinc Oxide And Cesium Lead Bromide Heterostructure With Interdigital Metallization, Tanveer Ahmed Siddique

Graduate Theses and Dissertations

In this thesis, photodetector based on the zinc oxide and cesium lead bromide hetero structure were fabricated and characterized. Zinc oxide (ZnO) nanoparticles were synthesized using solution processing and cesium lead bromide (CsPbBr3) thin film was synthesized using two step deposition method. Three phonon modes were obtained by the Raman spectroscopy of ZnO nanoparticles. X-ray diffraction spectra of ZnO exhibits five exciton peaks which denotes that the synthesized ZnO structure was of good crystallinity with wurtzite hexagonal phase. The absorbance spectrum of ZnO shows the bandgap (Eg) in the order of 3.5 eV that aligns with reported results. The photoluminescence …

Development Of Biomaterials For Drug Delivery, Raquel De Castro

Graduate Theses and Dissertations

Drug delivery systems (DDS) have highly evolved in the last decades with the development of hydrogels and nanoparticles. However, high systemic uptake, side effects, low bioavailability, and encapsulation efficiency continue to be a major hurdle faced by such DDSs.

Nanoparticles and hydrogels can be specifically designed for targeted DDSs to mitigate some of the problems. This dissertation aimed to design two DDSs for ocular drug delivery and one for cancer treatment. The first project sought to develop chitosan nanoparticles (Cs-NP) using PEGDA as a copolymer to encapsulate gentamicin (GtS) for ocular drug delivery. Cs-NPs contain positive charges that can interact …

Thermal Testing And Characterization Of Nanoparticles Synthesized For Biological Treatment, Tonie Butler

Mechanical Engineering Undergraduate Honors Theses

The overall goal of this research project is to synthesize iron core, silica capped nanoparticles that, when they are exposed to a particular magnetic field, will react by increasing in temperature and emitting substantial thermal output. They will be injected into the human body for biological benefit by targeted thermal radiation. Once in the human body, ideally, they will be able to target a specific area, and then a magnetic field will be applied to induce thermal output through the process of hyperthermia. As the nanoparticles emit heat, they will mimic the natural bodily behavior seen by way of hyperthermia, …

Investigation Of Iron-Nickel Based Nanoparticles As Catalysts For Oxygen Evolution Reaction (Oer), Prashant Acharya

Graduate Theses and Dissertations

Hydrogen fuel is increasingly seen as an appealing alternative by both the scientific and the industrial communities in the drive towards a clean energy future. Hydrogen, unlike fossil-based fuels, does not release carbon dioxide, a chief component of greenhouse gases, upon combustion. However, more than 95% of the hydrogen in the world is still produced by burning fossil fuels as this method is currently the only economically feasible option at a large industrial scale.

Water electrolysis shows a lot of potential in both hydrogen generation and in the storage of energy from renewable sources such as wind and sunlight. Likewise, …

The Varied Thermal Response Of Magnetic Iron-Oxide Nanoparticles During Induction Heating In Liquid And Solid-Liquid Phase Change Mediums, Joshua Tompkins

Graduate Theses and Dissertations

This study investigates the induction heating response of uncapped iron oxide nanoparticles sonically dispersed as a nanofluid and mechanically distributed in solid phase change materials. The nanoparticles examined have a mean diameter of 14.42 nm and are magnetically heated in an alternating magnetic field at an amplitude of 72.6 kA/m at frequencies of 217, 303, and 397 kHz. Nanoparticle characterization was undertaken through transition electron microscopy, x-ray diffraction, and dynamic light scattering when in suspension. Carrier fluids were characterized through viscosity, heat capacity, and density measurements which were used in the calorimetric calculation of the specific absorption rate (SAR) of …

Incorporation Of Silica Nanoparticles Into The Underlayer Of Pda/Ptfe Thin Coatings, Adedoyin Abe

Mechanical Engineering Undergraduate Honors Theses

Polytetrafluoroethylene (PTFE) is one of the most low friction and corrosion resistant solid lubricants. Prior studies have shown that a polydopamine (PDA) underlayer enhances the durability of PTFE thin coating. In this study, 100, 200, and 300 µL of aqueous silica nanoparticle (NP) solutions were added to the PDA deposition solution. The durability and coefficient of friction of PDA/PTFE thin coatings on stainless steel substrates are investigated with and without incorporating the silica NPs. The coatings were tested in dry contact conditions using a Universal Mechanical Tester (UMT) with a ball-on-flat configuration in a reciprocating motion. It was found that …

Surface Area And Electrocatalytic Properties Of Feni Nanoparticles For The Oxygen Evolution Reaction (Oer), James Burrow

Chemical Engineering Undergraduate Honors Theses

Iron-nickel bimetallic electrocatalysts have recently emerged as some of the best candidates for the oxygen evolution reaction (OER) in alkaline electrolyte. Understanding the effects of composition and morphology of iron-nickel nanoparticles is crucial for optimization and enhanced electrocatalyst performance. Both physical surface area and electrochemical surface area (ECSA) are functions of morphology. In this study, four different iron-nickel nanoparticle catalysts were synthesized. The catalysts were varied based on morphology (alloy versus core-shell) and composition (low, medium, and high stabilizer concentration). Brunauer-Emmett-Teller (BET) surface area analysis was conducted on three of the synthesized iron-nickel nanoparticles using a physisorption analyzer while electrochemical …

Mesoscale Computational Studies Of Thin-Film Bijels, Joseph M. Carmack

Graduate Theses and Dissertations

Bijels are a relatively new class of soft materials that have many potential applications in the technology areas of energy, medicine, and environmental sustainability. They are formed by the arrest of binary liquid spinodal decomposition by a dispersion of solid colloidal nanoparticles. This dissertation presents an in-depth simulation study of Bijels constrained to thin-film geometries and in the presence of electric fields. We validate the computational model by comparing simulation results with previous computational modeling and experimental research. In the absence of suspended particles, we demonstrate that the model accurately captures the rich kinetics associated with diffusion-based surface-directed spinodal decomposition. …

Investigating Initial Interactions Between Silver Nanoparticles And Wastewater, Casey Gibson

Biological and Agricultural Engineering Undergraduate Honors Theses

The use of nanoparticles (NPs) has increased exponentially in the last 15-20 years, especially in the consumer market. NPs are currently found in over 1800 commercial products, including cosmetics, clothing, packaging, and toys. As a result, NPs can enter the environment via wastewater (WW) streams, leading to new challenges in WW treatment. This study focuses on the initial fate of silver nanoparticles (AgNPs) in WW. The AgNP interaction including aggregation and dissolution in both synthetic and real WW were studied. Real WW was collected from the primary-clarifier, secondary-clarifier, and effluent WW streams at two local WW treatment plants (Westside and …

Controlled Synthesis And Utilization Of Metal And Oxide Hybrid Nanoparticles, Cameron Cowgur Crane

Graduate Theses and Dissertations

This dissertation reports the development of synthetic methods concerning rationally-designed, hybrid, and multifunctional nanomaterials. These methods are based on a wet chemical, solution phase approach that utilizes the knowledge of synthetic organic and inorganic chemistry to generate building blocks in solution for the growth of nanocrystals and hybrid nanostructures. This work builds on the prior knowledge of shape-controlled synthesis of noble metal nanocrystals and expands into the challenging realm of the more reactive first row transition metals. Specifically, a microemulsion sol-gel method was developed to synthesize Au-SiO2 dimers as precursors for the synthesis of segmented heterostructures of noble metals that …

Coarse-Grained Simulations Of The Self-Assembly Of Dna-Linked Gold Nanoparticle Building Blocks, Charles Wrightsman Armistead

Graduate Theses and Dissertations

The self-assembly of nanoparticles (NPs) of varying shape, size, and composition for the purpose of constructing useful nanoassemblies with tailored properties remains challenging. Although progress has been made to design anisotropic building blocks that exhibit the required control for the precise placement of various NPs within a defined arrangement, there still exists obstacles in the technology to maximize the programmability in the self-assembly of NP building blocks. Currently, the self-assembly of nanostructures involves much experimental trial and error. Computational modeling is a possible approach that could be utilized to facilitate the purposeful design of the self-assembly of NP building blocks …

Nanoscale Manipulation Of Pristine And Functionalized Freestanding Graphene Using Scanning Tunneling Microscopy, Matthew Ackerman

Graduate Theses and Dissertations

Over the past ten years the 2D material graphene has attracted an enourmous amount of attention from researchers from across diciplines and all over the world. Many of its outstanding electronic properties are present only when it is not interacting with a substrate but is instead freestanding. In this work I demonstrate that pristine and functionalized freestanding graphene can be imaged using a scanning tunneling microscope (STM) and that imaging a flexible 2D surface is fundamentally different from imaging a bulk material due to the attraction between the STM tip and the sample. This attraction can be used to manipulate …

Plasmonic Nanostructures For The Absorption Enhancement Of Silicon Solar Cells, Nathan Matthias Burford

Graduate Theses and Dissertations

In this work, computational investigation of plasmonic nanostructures was conducted using the commercial finite element electromagnetics solver Ansys® HFSS. Arrays of silver toroid nanoparticles located on the surface of an amorphous silicon thin-film absorbing layer were studied for particle sizes ranging from 20 nm to 200 nm in outer diameter. Parametric optimization by calculating an approximation of the photocurrent enhancement due to the nanoparticles was performed to determine optimal surface coverage of the nanoparticles. A comparison was made between these optimized nanotoroid arrays and optimized nanosphere arrays based on spectral absorption enhancement and potential photocurrent enhancement in an amorphous silicon …

Refractive Index Chemical Sensing With Noble Metal Nanoparticles, Phillip Blake

Graduate Theses and Dissertations

Chemical sensing is a key component in modern society, especially in engineering applications. Because of their widespread impact, improvements to chemical sensors are a significant area of research. One class of sensors, plasmonic sensors, is being heavily researched because of their ability to detect low levels of analyte in near real time without destroying the analyte. This work studies a new class of plasmonic sensor that utilizes diffractive coupling to improve sensor performance. Specifically, this work outlines the first study of diffractive coupling sensors with typical nanoparticle shapes. Sensitivity of this new class of sensor is directly compared to typical …