Engineering Commons^™

The Analysis Of Mechanical Exfoliation Of Graphene For Various Fabrication And Automation Techniques, Lance Yarbrough

Mechanical Engineering Undergraduate Honors Theses

Mechanical Exfoliation of Graphene is an often-overlooked portion of the fabrication of quantum devices, and to create more devices quickly, optimizing this process to generate better flakes is critical. In addition, it would be valuable to simulate test pulls quickly, to gain insight on flake quality of various materials and exfoliation conditions. Physical pulls of graphene at various temperatures, pull forces, and pull repetitions were analyzed and compared to the results of ANSYS simulations, solved for similar results. Using ANSYS’ ability to predict trends in exfoliations, flake thickness and coverage using stress and deflection analyses were investigated. Generally, both strongly …

Borophene And Graphene For Non-Enzymatic Biosensor- Ab-Initio Study, Omar A. Ismail

Theses and Dissertations

Non-enzymatic glucose sensing holds promise to overcome limitations associated with glucose oxidase, such as oxygen dependence and short shelf life. This study explores the potential sensing capabilities of borophene and graphene through direct interaction with various compounds, including β-glucose, uric acid, ascorbic acid, fructose, and acetaminophen. Using Density Functional Theory (DFT), we calculated binding energies and the respective Density of States (DOS) for these adsorbates on both graphene and borophene surfaces. Preliminary results suggest that borophene might exhibit nearly twice the affinity for β-glucose compared to graphene. Moreover, the calculated Density of States reveals distinct distortions in the electronic states …

Chemical And Physical Interaction Mechanisms And Multifunctional Properties Of Plant Based Graphene In Carbon Fiber Epoxy Composites, Daniel W. Mulqueen

Mechanical & Aerospace Engineering Theses & Dissertations

Graphene has generated substantial interest as a filler due to its exceptional strength, flexibility, and conductivity but faces obstacles in supply and implementation. A renewable, plant-based graphene nanoparticle (pGNP) presents a more accessible and sustainable filler with the same properties as mineral graphenes. In this study, the mechanisms of graphene reinforcement in carbon fiber reinforced plastic (CFRP) were examined, along with the resulting improvements to mechanical strength, resistance to crack propagation, electrical and thermal conductivity at elevated temperatures. pGNP, produced from renewable biomass, was shown to have a graphitic structure with flakes 3-10 layers thick and a median lateral size …

Effects Of Polymer Side-Group Size On Interfacial Mechanics Of Graphene-Polymer Nanocomposites, Grace Brokaw

All Theses

Graphene-reinforced polymer nanocomposites possess excellent mechanical, thermal, and electrical properties, which make them promising candidates for various applications. Favorable interfacial interactions and mechanics between graphene sheets and polymer matrices are often essential to achieve superior mechanical properties. Nevertheless, it remains largely elusive how molecular features of polymer systems, particularly the side-group size of polymer chains, affect the interfacial mechanics between graphene sheets and polymer matrices, primarily due to challenges in well controlling these features in experiments. On the other hand, exploring their roles in the mechanical properties of graphene-polymer nanocomposites is very expensive to study with all-atomistic molecular dynamics (MD) …

Quantification Of Flows Emerging From Small Pores In Plane Walls, Matia Peter Edwards

Electronic Thesis and Dissertation Repository

Current membrane separation processes are limited in high production and high purity settings due to a trade-off between selectivity and permeance. Methods of creating nanoscale geometries in 2D materials are emerging and present an opportunity for fast, size selective mass transport that can be tailored to a wide array of applications. This thesis develops a method for quantifying flow through small pores in plane walls based on the behaviour of a solute dispersed in a downstream reservoir. This method is validated for a range of micropore diameters, for which flow rates can be calculated with confidence, and is shown to …

Atomistic-Continuum Membrane And Machine Learning Models For Two-Dimensional Materials, Upenda Yadav

Dissertations, Master's Theses and Master's Reports

“What could we do with layered structures with just the right layers?” asked Richard Feynman in his famous 1959 lecture, “There’s plenty of room at the bottom.” With the help of the amazing developments of the past several years, we are coming close to answering that question. In 2004, graphene was first isolated from graphite and only six short years later it won the Nobel Prize in Physics. Graphene is one atomic layer of Carbon, it is the thinnest and yet the strongest materials we have ever seen. It is 200 times stronger than its equivalent weight in steel and …

Development Of A Model For Graphene Synthesis In Microwave Plasma-Assisted Reactors, Caleb Prindler

Electronic Theses and Dissertations

Graphene is a novel nanomaterial capable of revolutionizing technology in many sectors but is difficult to produce on a useful scale. To improve our understanding of graphene formation, a computational model has been developed to simulate graphene synthesis in a scalable microwave plasma reactor. Unlike earlier graphene growth models, this one uses a sectional method to solve the population balance model. A sensitivity analysis was performed to assess the impact of the individual process rates. The rates were adjusted by multiplying and dividing the base rates by a factor of 2. The process rates that were adjusted in this way …

Electro-Chemo-Mechanics Of The Interfaces In 2d-3d Heterostructure Electrodes, Vidushi Sharma

Dissertations

Unique heterostructure electrodes comprising two-dimensional (2D) materials and bulk three dimensional (3D) high-performance active electrodes are recently synthesized and experimentally tested for their electrochemical performance in metal-ion batteries. Such electrodes exhibit long cycle life while they also retain high-capacity inherent to the active electrode. The role of 2D material is to provide a supportive mesh that allows buffer space for volume expansions upon ion intercalation in the active material and establishes a continuous electronic contact. Therefore, the binding strength between both materials is crucial for the success of such electrodes. Furthermore, battery cycles may bring about phase transformations in the …

Synthesis And Characterization Of Graphene-Reinforced Polymer Filaments For Additive Manufacturing, Sean Menezes

Mechanical and Aerospace Engineering Theses

Fused Deposition Modeling (FDM) is a popular 3D printing process which uses a spool of thermoplastic polymer filament that is melted by the movable extruder printer head onto the bed to generate the required shape. The most used polymer filaments in FDM are Acrylonitrile Butadiene Styrene (ABS) and Poly Lactic Acid (PLA). However, these conventional polymer filaments have lower mechanical strength and are more susceptible to cracking as the cooler parts of the printed part shrink so much that they cause cracks to develop, leading to warping. The current investigation focuses on the synthesis of graphene, synthesis of polymer filaments …

Carbon Oxidation At The Atomic Level: A Computational Study On Oxidative Graphene Etching And Pitting Of Graphitic Carbon Surfaces, Simon Schmitt

Theses and Dissertations--Mechanical Engineering

In order to understand the oxidation of solid carbon materials by oxygen-containing gases, carbon oxidation has to be studied on the atomic level where the surface reactions occur. Graphene and graphite are etched by oxygen to form characteristic pits that are scattered across the material surface, and pitting in turn leads to microstructural changes that determine the macroscopic oxidation behavior. While this is a well-documented phenomenon, it is heretofore poorly understood due to the notorious difficulty of experiments and a lack of comprehensive computational studies. The main objective of the present work is the development of a computational framework from …

Graphene-Fibers Hybrid Structures As Adsorbents For Heavy Metal Ions In Aqueous Solutions, Dulce C. Capitanachi

Theses and Dissertations

The project focuses on the study of graphene-fiber hybrid structures for adsorption of heavy metal ions in aqueous solutions. Polyvinyl alcohol-based graphene–fiber structures were created using centrifugal spinning and a carbonization process.

Characterization methods of the graphene–fiber hybrid structures (GFHS) include SEM, FTIR, TGA, and EDX. Single-step batch-type adsorption studies were performed to analyze the interaction of Cu (II) and Pb (II) ions onto GFHS surface. Different heavy metal ion concentrations were used, as well as a variation of pH values. Elemental analysis of the adsorbent’s surface after filtration experiments was studied by EDX and spectroscopy to verify the presence …

Exploring The Electrical Properties Of Twisted Bilayer Graphene, William Shannon

Senior Theses

Two-dimensional materials exhibit properties unlike anything else seen in conventional substances. Electrons in these materials are confined to move only in the plane. In order to explore the effects of these materials, we have built apparatus and refined procedures with which to create two-dimensional structures. Two-dimensional devices have been made using exfoliated graphene and placed on gold contacts. Their topography has been observed using Atomic Force Microscopy (AFM) confirming samples with monolayer, bilayer, and twisted bilayer structure. Relative work functions of each have been measured using Kelvin Probe Force Microscopy (KPFM) showing that twisted bilayer graphene has a surface potential …

Modelling Palladium Decorated Graphene Using Density Functional Theory To Analyze Hydrogen Sensing Application, Sameer Kulkarni

Mechanical Engineering Undergraduate Honors Theses

Graphene is an exciting new material with many promising applications. One such application of graphene is gas sensing, when adsorbed with transition metals, notably Palladium. Therefore, it is of paramount importance to have appropriate ab initio calculations to calculate the various properties of graphene under different adsorbates and gasses. The first step in these calculations is to have a functioning base Density Functional Theory (DFT) model of pristine graphene decorated with Palladium. The computational methods described in this paper has yielded results for pristine graphene that have been confirmed many times in previous experimental and theoretical studies. Future work needs …

Shock Compaction Of Graphene Doped Yttria Stabilized Zirconia: An Experimental And Computational Study, Christopher Rueben Johnson

Master's Theses (2009 -)

Yttria stabilized zirconia (YSZ) is a broadly used ceramic due to its impeccable hardness and thermal stability. Limitations of the material, however, subsist within its fracture toughness. Literature indicates that shock consolidation may enable production of composite YSZ and graphene mixtures with improved fracture toughness and other material properties while maintaining the material’s nanostructure dimensionality. Therefore, investigation of the compaction phenomena at non-equilibrium states will provide informative results to be used in the fabrication of bulk graphene-YSZ composites. Computational molecular dynamics (MD) simulations and impact experiments are conducted to explore and characterize the dynamic response of the YSZ variants. Molecular …

Effect Of Turbostratic Orientations And Confined Fluid On Mechanical Strength Of Bi-Layer Graphene: A Molecular Dynamics Study, Nil B. Dhankecha

Theses

The rise of graphene as a reinforcement material in the last decade has been exponential owing to its superior mechanical properties. This one atom thick 2D material is applicable in many industries related to nanomechanical, nanoelectronics and optical devices. Despite its strength and superior properties, single-layer graphene tends to be unstable in a free-standing form. This led to active use of bi-layer and multilayered graphene in many of the above-stated applications. Though properties of single-layer graphene have been extensively investigated both computationally as well as experimentally for over a decade, bilayer graphene and its turbostratic form are still under research. …

Graphene-Based Lubrication For Tribological Applications: Nanolubricants And Self-Lubricating Nanocomposites, Emad Omrani

Theses and Dissertations

In this work, the effects of graphene nanoplatelets (GNPs) additives on tribological properties of aluminum are investigated. The objective of this research is to investigate and explain the enhancement mechanisms of GNPs at the contact surface during tribological testing. The graphene nanoplatelets are studied both as an oil additive (Chapter I) and as a reinforcement (Chapter II) experimentally. The coefficient of friction (COF) and wear rate were identified using a pin-on-disk test setup.

Mineral, organic, and synthetic oils are not always efficient enough to satisfy the demands of a high-performance lubricant; therefore, mixing additives with base fluids is an approach …

Measuring The Double Layer Capacitance Of Electrolyte Solutions Using A Graphene Field Effect Transistor, Agatha Ulibarri

Senior Theses

When operating graphene field effect transistors (GFETs) in fluid, a double layer capacitance (C_dl) is formed at the surface. In the literature, the C_dl is estimated using values obtained using metal electrode experiments. Due to the distinctive electronic and surface properties of graphene, there is reason to believe these estimates are inadequate. This work seeks to directly characterize the double layer capacitance of a GFET. A unique method for determining the C_dl has been implemented, and data has been obtained for three electrolytes and one ionic fluid. The results yield dramatically lower C_dl values than …

Drawing And Twisting Of Graphene Fibers, Gregory T. Lane, Robert J. Sekerak, Isaias Diaz

Mechanical Engineering

The aim of this project was to develop a more automated process for drawing and twisting of graphene fibers than was currently in place. This was implemented by having two chemical baths with variable speed rollers at either end, and intermediate roller to spool fiber between stages, and a twisting cylinder with integral spool to twist the fiber as it is collected. The goal was to have this first iteration deliver a working prototype, however due to manufacturing delays and timing constraints, that will be missed. A second follow-on project would be able to continue the work presented here and …

Multiscale Modeling: Thermal Conductivity Of Graphene/Cycloaliphatic Epoxy Composites, Sorayot Chinkanjanarot

Dissertations, Master's Theses and Master's Reports

The thermal property of epoxy as the binder in the Carbon Fiber (CF) composites, especially thermal conductivity is important to achieve the advance technology and to improve the performance of materials. Multiscale modeling including molecular dynamic (MD) modeling and micromechanical modeling is used to study the properties of neat Cycloaliphatic Epoxies (CE) and Graphene nanoplatelet (GNP)/CE with and without covalent functionalization.

The thermal properties (glass-transition temperature, thermal expansion coefficient, and thermal conductivity) and mechanical properties of CE system are investigated by MD modeling using OPLS-All Atom force field. A unique crosslinking technique is developed to achieve the cured CE models …

Design And Optimization Of Lithium Ion Battery For High Temperature Applications, Khalid Abdullitife Ababtain

Wayne State University Dissertations

With massive commercial success of lithium ion batteries, the ability to operate at

and above 70 °C still a crucial issue and a safety concern to combat ever-increasing

global warming and to extend applications beyond portable electronics. Among various

components of battery, anode and electrolyte and the passivation layer formed between

them is crucial towards the development of Li-ion batteries for extendable temperature

range. In this regard, room temperature ionic liquids (RTILs) have the capability to

tackle thermal stability issues of lithium ion batteries but their poor compatibility with

traditional graphite anodes limits their practical application. Towards addressing this

issue, …

Molecular Modeling Of Epon 862-Detda / Carbon Composites, Cameron Hadden

Dissertations, Master's Theses and Master's Reports - Open

The thermoset epoxy resin EPON 862, coupled with the DETDA hardening agent, are utilized as the polymer matrix component in many graphite (carbon fiber) composites. Because it is difficult to experimentally characterize the interfacial region, computational molecular modeling is a necessary tool for understanding the influence of the interfacial molecular structure on bulk-level material properties. The purpose of this research is to investigate the many possible variables that may influence the interfacial structure and the effect they will have on the mechanical behavior of the bulk level composite. Molecular models are established for EPON 862-DETDA polymer in the presence of …

Carbon Based Nano-Composite Materials For Energy Storage Applications, Gerardo Rodriguez Melo

Open Access Theses & Dissertations

Energy storage systems and devices are an integral part of advanced electronic technology. Electronic technology is ever-advancing, but in order to do so, it must be supported by all its systems. The energy storage system is one key system that may dictate the performance and limitation of such electronics. Thus, research emphasis on energy storage devices has been on improving the performance of energy storage devices, such as: improved energy and power density, increased stability and cycle life, as well as reduced costs. Lithium-ion-batteries, and supercapacitors offer the potential to meet energy storage demands and to be improved further upon. …

Structural, Electronic And Catalytic Properties Of Graphene-Supported Platinum Nanoclusters, Ioanna Fampiou

Doctoral Dissertations

Carbon materials are predominantly used as catalytic supports due to their high surface area, excellent electrical conductivity, resistance to corrosion and structural stability. Graphene, a 2D monolayer of graphite, with its excellent thermal, electronic and mechanical features, has been considered a promising support material for next generation metal-graphene nanocatalysts. The main focus of this dissertation is to investigate the properties of such metal-graphene nanocomposites using computational methods, and to develop a comprehensive understanding of the experimentally observed enhanced catalytic activity of graphene-supported Platinum (Pt) clusters. In particular, we seek to understand the role of graphene supports on the ground-state morphology …

Graphene Decorated Substrates And Their Interfacial Characteristics, Anurag Kumar

Open Access Dissertations

Carbon nanotubes and graphene have been extensively studied for their excellent properties. As research on carbon expands, two major issues face the scientific community: (i) Expanding the scale of synthesis and (ii) Integration of different carbon structures for improved functionality. While significant advancements have been made in large-scale synthesis, room for improvement remains. As the scale of production increases, issues such as time, cost and energy that may otherwise not be very significant, begin to play greater roles. Thus, in order to effectively transition from laboratory prototypes to industrial products, a synthesis method that can address these issues is strongly …

Nano-Particles In Multi-Scale Composites And Ballistic Applications, Jason Gibson

Electronic Theses and Dissertations

Carbon nanotubes, graphene and nano sized core shell rubber particles have all been extensively researched for their capability to improve mechanical properties of thermoset resins. However, there has been a lack of research on their evaluation for energy absorption in high velocity impact scenarios, and the fundamental mechanics of their failure mechanisms during highly dynamic stress transfer through the matrix. This fundamental research is essential for laying the foundation for improvement in ballistic performance in composite armor. In hard armor applications, energy absorption is largely accomplished through delamination between plies of the composite laminate. This energy absorption is accomplished through …

Environmental Effects On Mechanical And Thermal Behaviors Of Zinc Oxide Nanobelts And Dispersion Of Carbon Nanostructures, Yingchao Yang

Theses and Dissertations

One-dimensional (1-D) nanostructures, such as nanowires, nanobelts, and nanotubes of different materials, have significant applications as nanoscale interconnects and active/functional components of electronic and optoelectronic devices, sensors, actuators, nanoelectromechanical systems (NEMS), and energy generation/conversion systems. The thermal and mechanical stabilities of those nanodevices and nanoenabled energy systems are of both theoretical and practical interests. Thermodynamic properties of nanomaterials are different from those of bulk materials. As the size of a solid particle reduces to the nanometer scale, the surface-to-volume ratio increases and the melting temperature may remarkably decrease. The functionality and/or reliability of those nanodevices and nanoenabled energy systems are …