Materials Science and Engineering Commons^™

Understanding Of Deformation And Fracture Behavior In Next Generation High Strength-High Ductility Steels, Venkata Sai Yashwanth Injeti

Open Access Theses & Dissertations

The industrial demand for low density high strength steels without compromising on ductility in is endless. In this regards, grain refinement and austenitic stability considered to the practical approach in order to meet the needs. The concept of phase reversion involving sever cold deformation of metastable austenite to generate strain-induced martensite, followed by time-temperature annealing sequence, was used to obtain varying grain size from nanograined/ultrafine-grained (NG/UFG) to coarse-grained (CG) regime. This concept was used to obtain "high strength-high ductility" combination in nano/ultrafine-grained (NG/UFG) austenite stainless steel. Using this concept, the objective of the study here is to elucidate the dependence …

Computational Studies On Perovskite-Metallofullerene Interface And Magnetic Properties Of Mn-Based Mixed Olivines, Bethuel Omutiti Khamala

Open Access Theses & Dissertations

Methyl ammonium lead halide (MAPbX3) perovskite based solar cells have recently emerged as promising class of materials for photovoltaic applications with efficiencies reaching over 22%. Designing interfaces with strong binding is vital to developing efficient, high-performing solar cells. Fullerene-based materials are widely employed as efficient electron acceptors and can serve as electron transporting layer in perovskite based solar cells. We have studied interfaces of methyl ammonium lead iodide MAPbI3 with Sc3N@C80 fullerene and Sc3N@C80PCBM fullerene derivate within the density functional formalism. Different surface terminations and orientations of the methyl ammonium are examined for binding of the fullerene layer. Our calculated …

A Multiscale Model Of Protein Adsorption On A Nanoparticle Surface, David Power, Ian Rouse, Stefano Poggio, Erik Brandt, Hender Lopez, Alexander Lyubartsev, Vladimir Lobaskin

Articles

We present a methodology to quantify the essential interactions at the interface between inorganic solid nanoparticles (NPs) and biological molecules. Our model is based on pre-calculation of the repetitive contributions to the interaction from molecular segments, which allows us to efficiently scan a multitude of molecules and rank them by their adsorption affinity. The interaction between the biomolecular fragments and the nanomaterial are evaluated using a systematic coarse-graining scheme starting from all-atom molecular dynamics simulations. The NPs are modelled using a two-layer representation, where the outer layer is parameterized at the atomistic level and the core is treated at the …

Comparative Study Of Analytical Models Of The Gruneisen Parameter Of Metals As Function Of Pressure, Celia Garcia Amparan

Open Access Theses & Dissertations

Commonly used Gruneisen parameter (γ) models only hold accurate in limited regimes making them inapplicable for use over wide temperature-pressure conditions. The accuracy of these analytical models of γ and of the thermal expansion of solids are of particular interest as these are considered proxies for quantifying anharmonicity, which may be a significant contribution to the thermal pressure at high temperatures. This work reviews various definitions of γ and their relations to the equations of state and apply them to two simple metals: Tantalum (Ta) and Copper (Cu), for which a high body of experimental data exists. Classical Molecular Dynamics …

Investigating Using Titanium Zirconium Molybdenum For Additively Manufacturing Aerospace Components, Justin Hunter Vanhoose

Open Access Theses & Dissertations

Mankind throughout history has possessed an innate characteristic to explore, migrating to new frontiers.The requirement for this travel is most broadly associated with the need to pursue more resources. Rockets have been used as a means of weapons since the Sung Dynasty in the thirteenth empire and have now been integrated for travel/transport. The sophistication of rocketry and propulsion has reached a level to where it is plausible that mankind will be a multi-planetary species. The space industry has grown significantly with the advancement of the sophistication of these rocket technologies. However, a specific challenge to overcome in the space …

Tailoring The Mechanical And Optical Properties Of Silicon-Niobium-Nitride Composite Coatings, Cristian Orozco

Open Access Theses & Dissertations

Nitride nanocomposite thin films have generated significant attention as a result of their robust mechanical properties, excellent triobology, and good chemical (corrosion) stability. Due to their excellent hardness and high wear resistance NbN coatings have found use in a wide variety of applications such as the coating of cutting tools and to strengthen the surface mechanical properties of superconducting cavities. The mechanical properties of NbN can be further improved through mixing with Si3N4, leading to the formation of a nanocomposite structure. NbN-Si3N4 nanocomposite coatings have been actively studied due to their high hardness, high elastic modulus, and high resistance to …

Uv-Curable Organic-Inorganic Hybrid Polyurethane Coating, Shiyin Yu

Master's Theses and Doctoral Dissertations

This thesis explored a series of organic-inorganic hybrid polyurethane oligomers with varying molecular weights and functional groups (acrylate and/or silane) that were cured with a single ultraviolet (UV) trigger but two photo-initiators. Upon UV irradiation, the free-radical initiator initiated a free-radical reaction for acrylate cross-linking, and the photo-latent base initiated a sol-gel reaction for condensation of the silanes. This study explored the cure extent of both reactions by FTIR for acrylates and silanes and a weight-loss method for silanes as a function of functional group concentration and time. The general film properties were also studied. The results showed that the …

Effects Of Micro-Features On Cell Detachment From Poly(N-Isopropylacrylamide) Coated Polydimethylsiloxane Membranes, Luke Webel

Williams Honors College, Honors Research Projects

The tested hypothesis was that features on polydimethylsiloxane (PDMS) surfaces coated with a poly(N-isopropylacrylamide)/aminopropyltriethoxysilane or pNIPAAM/APTES thin film would accelerate cell detachment than the film coated on a unfeatured surface. This project tested samples with features generated by molds, wrinkling, and sandpaper roughened substrates. Surface feature generation methods were limited to mechanical means, and characterized by microscopy and strain rates. 50/50 mixtures of 1.5 wt.% pNIPAAM/ APTES were used to coat thin films (30-40 nm) on PDMS membranes by spin-coating, and the coated membranes were thermally annealed to chemically graft pNIPAAm/APTES on the membrane and their thermo-responsive property was assessed …

Benefits Of Aluminum: Comparing The Common Materials In The Bar Grating Industry, Joanthan Geiser

Williams Honors College, Honors Research Projects

The main aim of this project is to study the wholistic behavior of the 6xxx series of aluminum for use in the bar grating industry for a waste water treatment environment. This project will study the comparison of certain aluminum 6xxx series alloys to steel, stainless steel, and glass fiber-reinforced plastic. While comparing these materials, it will look at the mechanical properties such as modulus of elasticity, yield strength, and ultimate tensile strength. In addition, the available corrosion test of the 6xxx series aluminum alloys will be examined to find a generalization of the corrosion behavior for this series. A …

Optimization Of Conditions For Production Of Mechanically Strong Suckerin Protein Hydrogels, Autumn Furniss

Williams Honors College, Honors Research Projects

Hydrogels are polymer networks with a large water content. Uses include biomedical applications like drug delivery, wound dressing, and more. Current natural hydrogels lack mechanical robustness. Squid ringed teeth (completely protein) have a modulus comparable to thermoplastics; adding this to hydrogels could improve modulus while maintaining biocompatibility.

Three experiments were performed: Hofmeister solubility study, SRT powder additive, and SRT aqueous solution. The first showed that LiCl solution without acetic acid dissolved the most SRT; overall LiCl dissolved more than all others. SRT as a powder additive increased the modulus of the hydrogels, however the error in the measurements make it …

Design And Development Of An Actuation System For Morphing Flaps, Nate Mcwilliams

Summer Community of Scholars Posters (RCEU and HCR Combined Programs)

No abstract provided.

Carbon Fiber Monocoque, Dan Brown, Leland Hoffman

Williams Honors College, Honors Research Projects

The University of Akron’s Human Powered Vehicle Team designed a high performing, fully functioning vehicle that is safe, efficient, and practical for the 2018-2019 season. These objectives were the main priorities when it came to the initial stages of designing the vehicle. In addition, the vehicle was designed in accordance with the ASME 2019 Human Powered Vehicle Challenge guidelines to satisfy all the rules and requirements. Additional priorities have been created to teach practical engineering skills and techniques to the students participating in the project through different points in the production process including research, vehicle design, construction, and testing.

The …

Requalification Of Coated Fabrics Using Chemlok 2332 In Place Of Chemlok 233, Daniel Madler

Williams Honors College, Honors Research Projects

Rubber coated fabrics are an essential component in the deicing systems of the aerospace industry. Adhesives cements are applied to a fabric prior to being pressed into a rubber compound that will adhere to the fabric. The resulting fabric maintains the strength of the fabric with the added benefits of elasticity and compatibility from the rubber compound. UTC Aerospace Systems relies on these coated fabrics to create safe deicers for the aerospace industry. Chemlok 233, a now obsolete primer cement, was used extensively in the coated fabrics used by UTC. Materials testing and performance evaluation allowed for a replacement cement, …

Compression Set Improvement Of Thermoplastic Vulcanizates For High Temperature Tubing, Mitchell Valaitis

Williams Honors College, Honors Research Projects

It was hypothesized that increasing the curative level of the fluorocarbon rubber (FKM) used in manufacturing of thermoplastic vulcanizate (TPV) materials would decrease the compression set values of the TPV enough for it to be suitable as a flexible, lightweight alternative to high operating temperature thermoset rubber tubing currently being used for power steering hose. First, promising TPV formulations were identified by varying the polyamide (PA) and FKM used in a Brabender mixer. Four different types of polyamide and four different types of FKM were investigated, with two of the FKM types and one polyamide type identified as being promising. …

Generator Design: A Study Of Optimized Airflow, Rachel Wattleworth

Williams Honors College, Honors Research Projects

The core goal of this project was to prototype, test, and evaluate a new type of fan for the Safran Electrical & Power air-cooled generators. The idea of a new fan being made for these two generators arose when they were not adhering to design requirements. A base mixed-flow fan was created to test on multiple generators. Upon creating a prototype, it will be tested to prove if it can increase the air flow, decrease temperatures, and increase power and life of the machines. They all proved to be successful and achieve the main objectives for this project. Data such …

Form Stable Phase-Change Materials, Russell Dent, Marjan Kashfipour, Nitin Mehra, Jiahua Zhu

Williams Honors College, Honors Research Projects

This work investigates the use of two different polyols, xylitol (Xyl) and erythritol (Ery), in conjunction with boron nitride (BN) aerogels, for the purpose of creating thermally conductive composites. While the BN filler in Xyl composites achieved a high anisotropic thermal conductivity of up to 4.53 W/m-K at 18.2 weight percent filler loading, they do not exhibit good phase-change material qualities due to a low solidification enthalpy even at low cooling rates. Alternatively, the BN-Ery composites have shown promising results with a solidification enthalpy of 225.14 J/g and a melting enthalpy of 385.84 J/g at a heat rate of 5 …

Interlaminar Damage Detection In Composite Materials, Hariharan Rangarajan

Williams Honors College, Honors Research Projects

Using ceramic matrix composites (CMCs) for high-temperature applications in jet engines increases durability and reduces weight and cooling requirements resulting in improved efficiency and fuel savings. Understanding, detecting, and monitoring different types of damage is essential to achieve optimal performance of CMC components. The Direct Current Potential Drop (DCPD) method is a non-destructive technique of estimating damage in composite materials.

DCPD technique works by measuring nodal potential differences when current is flown through the material. Direct current spreading in different woven and laminate composites is modeled to follow a ladder resistor network in which the nodal voltages decrease exponentially as …

Toward Improving Ambient Volta Potential Measurements With Skpfm For Corrosion Studies, Corey M. Efaw, Thiago Da Silva, Paul H. Davis, Lan Li, Elton Graugnard, Michael F. Hurley

Materials Science and Engineering Faculty Publications and Presentations

Scanning Kelvin probe force microscopy (SKPFM) is used in corrosion studies to quantify the relative nobility of different microstructural features present within complex metallic systems and thereby elucidate possible corrosion initiation sites. However, Volta potential differences (VPDs) measured via SKPFM in the literature for metal alloys exhibit large variability, making interpretation and application for corrosion studies difficult. We have developed an improved method for referencing SKPFM VPDs by quantifying the closely related work function of the probe relative to an inert gold standard whose modified work function is calculated via density functional theory (DFT). By measuring and tracking changes in …

Deformation Correlations And Machine Learning: Microstructural Inference And Crystal Plasticity Predictions, Michail Tzimas

Graduate Theses, Dissertations, and Problem Reports (ETD)

The present thesis makes a connection between spatially resolved strain correlations and material processing history. Such correlations can be used to infer and classify prior deformation history of a sample at various strain levels with the use of Machine Learning approaches. A simple and concrete example of uniaxially compressed crystalline thin films of various sizes, generated by two-dimensional discrete dislocation plasticity simulations is examined. At the nanoscale, thin films exhibit yield-strength size effects with noisy mechanical responses which create an interesting challenge for the application of Machine Learning techniques. Moreover, this thesis demonstrates the prediction of the average mechanical responses …

Molecular Dynamics Study Of Creep Deformation In Nickel-Based Superalloy, Sabila Kader Pinky

Graduate Theses/Dissertations

The present study employs molecular dynamics simulations of Ni-based superalloy to investigate the creep behavior under uniaxial compression test. Dislocation dynamics is analyzed for the nickel-based single crystal superalloy with the presence of void and with varying the distribution of gamma-prime phase The results show that multiple-void systems are more prone to yield than single-void systems and single-void systems are more prone to yield than the system without void. From the simulations, it has been determined that the creep mechanism in Ni/Ni3Al is subject to change on the applied stress depending on the distribution of gamma-prime phases change. Dislocation behavior …

N-I-P Nanocrystalline Hydrogenated Silicon Solar Cells With Rf-Magnetron Sputtered Absorbers, Dipendra Adhikari, Maxwell M. Junda, Corey R. Grice, Sylvain X. Marsillac, Robert W. Collins, Nikolas J. Podraza

Electrical & Computer Engineering Faculty Publications

Nanocrystalline hydrogenated silicon (nc-Si:H) substrate configuration n-i-p solar cells have been fabricated on soda lime glass substrates with active absorber layers prepared by plasma enhanced chemical vapor deposition (PECVD) and radio frequency magnetron sputtering. The cells with nanocrystalline PECVD absorbers and an untextured back reflector serve as a baseline for comparison and have power conversion efficiency near 6%. By comparison, cells with sputtered absorbers achieved efficiencies of about 1%. Simulations of external quantum efficiency (EQE) are compared to experimental EQE to determine a carrier collection probability gradient with depth for the device with the sputtered i-layer absorber. This incomplete …

Tools For Understanding Static Structure Factors And Their Application To Simulations Of Liquids, Travis Mackoy

Graduate Research Theses & Dissertations

Molecular dynamics (MD) simulations can be used to compute static structure factors (��(��)) and provide an interpretation of the underlying periodic atomic ordering. MD simulations complement experimentally measured ��(��) by allowing qualitative assignment of peaks to various ordering, such as cation-anion ordering in ionic liquids, via decomposition of ��(��) into partial ��(��). Here we present a method for classifying interatomic distances that allows for quantitative peak assignment and visualization of atoms that contribute most to each peak in calculated ��(��) for soft materials. The method is illustrated by investigating ��(��) for the ionic liquid 1-butyl-1-methyl-pyrrolidinium bis(trifluoromethylsulfonyl)imide (C4C1pyrrTFSI), which shows two …

Characterization Of Boron/Iron-Oxide Core/Shell Structure For Boron Neutron Capture Therapy By Stem/Eels-Xeds And Mössbauer Spectroscopy, Mason Douglas Hayward

Graduate Research Theses & Dissertations

Boron/iron-oxide core/shell structured nanoparticles were characterized for application in boron neutron capture therapy (BNCT). BNCT is a cancer treatment method using the ability of boron to absorb thermal neutrons and a proposed drug delivery system utilizing an external magnetic field to direct the boron nanoparticles to targeted cancer sites and to extract the used nanoparticles after treatment. Boron nanoparticles were magnetically functionalized by encapsulating with an iron oxide shell. As such the exact composition, size distribution and oxidation states of the core/shell structures can affect treatment efficacy. Characterization was done by electron energy loss spectroscopy (EELS) and x-ray energy dispersive …

Performance Of Plunge Depth Control Methods During Friction Stir Welding, Jinyoung Yoon, Cheolhee Kim, Sehun Rhee

Mechanical and Materials Engineering Faculty Publications and Presentations

Friction stir welding is a preferred solid state welding process for Al/Fe joints, and in friction stir lap welding, the plunge depth is the most critical parameter for joint strength. We compared three plunge depth control methods, namely conventional position control, offset position control, and deflection compensation control in the friction stir lap welding of 3 mm-thick Al 5083-O alloy over 1.2 mm-thick DP 590 steel. The desired plunge depth was 0.2 mm into the steel sheet. However, the pin did not reach the steel surface under conventional position control due to deflection of the vertical axis of the welding …

Simulation To Fabrication—Understanding The Effect Of Niaucu Alloy Catalysts For Controlled Growth Of Graphene At Reduced Temperature, Huahan Zhan, Bin Jiang, Otto Zietz, Samuel Olson, Jun Jiao

Mechanical and Materials Engineering Faculty Publications and Presentations

It is a significant challenge to grow large-scale, high quality, monolayer graphene at low temperature for the applications in industry, especially for the complementary metal oxide semiconductor fabrication process. To overcome this difficulty, we simulated the decomposition of acetylene (C2H2) on (100) surfaces of primarily nickel (Ni) catalysts with small mol fractions of gold (Au) and copper (Cu), using a 4 × 4 × 4 periodic supercell model. Based on the calculation of the reaction energies to decompose the C-H or C≡C bonds on different catalyst surfaces, a differential energy is proposed to clearly scale the decomposition difficulties such that …

The Effect Of Curing And Zirconium Content On The Wettability And Structure Of A Silicate Hybrid Sol-Gel Material, Emma Machugh, Maikki Cullen, Alicja Kaworek, Brendan Duffy, Mohamed Oubaha

Articles

Functional hybrid sol-gel coatings have been developed for numerous applications with a wide range of wettabilities. This study proposes to investigate the relationship between the structure and the wetting properties of a zirconium modified silicate hybrid sol-gel coating. The structures of the coatings were altered by varying the content of zirconium, and the curing process, while keeping the sol-gel preparation conditions identical. The structure of the materials was characterized by FTIR, 29Si NMR and SEM. The thermal properties and the wettability are identified by DSC and contact angle measurements, respectively. By corroborating the structural and wettability analyses, it is shown …

In Situ Measurement Of Fatigue Induced Crack Growth In Inconel 718 Using Direct Current Potential Drop Method, Joel C. Lindsay

Graduate Theses, Dissertations, and Problem Reports (ETD)

With recent advances in air breathable engines comes more extreme temperature environments that engine components must tolerate. During the design of these engines, it is necessary to understand how material fatigue failures occur at these new, higher operating temperatures. In providing understanding, the following fundamental study focuses on the statistical nature of crack jumps (changes in crack length over time) during fatigue in a polycrystalline nickel-based superalloy, Inconel 718 (IN718). In situ measurement of the crack length at several loading conditions were conducted using a direct current potential drop (DCPD) measurement method. Experimental data was collected at six different fatigue …

Carbon Deposition On Ni/Ysz Anode Sofc For Direct Methane Steam Reforming, Haiyang Li

Graduate Theses, Dissertations, and Problem Reports (ETD)

Solid Oxide Fuel Cells (SOFCs) are electrochemical devices that produce electricity directly from oxidizing fuels. Compared to direct combustion of hydrogen to generate power, it has a big advantage in aspects from efficiency and safety when using hydrogen as the fuel of SOFCs. Hydrocarbon reforming is one of the conventional methods to convert natural gas into hydrogen. While considering the difficulty in storage and transportation of hydrogen, we can utilize the supporting materials on the anode side of SOFCs as catalyst to generate hydrogen via hydrocarbon reforming process and pour the hydrogen as fuel into the SOFC system. Ni/YSZ is …

Bending Response Of Timber Mortise And Tenon Joints Reinforced With Filler-Modules And Frp Gussets, Andrew Robert Pacifico

Graduate Theses, Dissertations, and Problem Reports (ETD)

In 2013, the California Bay Area (CBA) passed a set of ordinances to ensure that their 10,000 plus timber soft-story buildings were prepared for seismic events, through nondestructive evaluation methods. Many property owners are searching for an affordable retrofitting system that will also meet CBA’s new laws focusing on installations by the mandated deadlines in 2020. Over the past three to four decades, Fiber Reinforced Polymer (FRP) composites have found their way into the civil infrastructure sector for rehabilitation. The objective of this study is to evaluate the bending behavior retrofitted mortise and tenon timber joints reinforced with engineered wood …

Enhancing The Thermoelectric Performance Of Calcium Cobaltite Ca3co4o9 Through Single And Dual Elements Doping, Cesar Octavio Romo De La Cruz

Graduate Theses, Dissertations, and Problem Reports (ETD)

Worldwide energy consumption losses more than 60% of the energy after its conversion, most of these losses are in the form of waste heat. Therefore, it is a matter of utmost importance to harness waste heat and reutilize this energy source to improve the overall conversion efficiency. Thermoelectric (TE) technology is one of the rising alternatives to harvest the excessive amount of energy lost as waste heat for a better and sustainable energy future. TE materials can utilize waste heat to improve efficiency in the ever-increasing demand for energy by converting a temperature difference directly into electricity due to the …