Engineering Science and Materials Commons^™

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 …

Establishing The Foundation To Robotize Complex Welding Processes Through Learning From Human Welders Based On Deep Learning Techniques, Rui Yu

Theses and Dissertations--Electrical and Computer Engineering

As the demand for customized, efficient, and high-quality production increases, traditional manufacturing processes are transforming into smart manufacturing with the aid of advancements in information technology, such as cyber-physical systems (CPS), the Internet of Things (IoT), big data, and artificial intelligence (AI). The key requirement for integration with these advanced information technologies is to digitize manufacturing processes to enable analysis, control, and interaction with other digitized components. The integration of deep learning algorithm and massive industrial data will be critical components in realizing this process, leading to enhanced manufacturing in the Future of Work at the Human-Technology Frontier (FW-HTF).

This …

A Computational Exploration Of The Scandate Cathode Surface, Shankar Miller-Murthy

Theses and Dissertations--Chemical and Materials Engineering

The exact surface configuration of scandate cathodes has been a point of contention for the materials community for a long time. Without proper understanding of it and the related structures and emission mechanisms, scandate cathodes remain patchy and unreliable emitters. Thus, density functional theory techniques were applied to various potential surface arrangements and found that there are several low-energy surfaces with low work functions that incorporate a scandium interlayer between tungsten and oxygen or otherwise have a scandium-on-tungsten structure. Furthermore, it was discovered that adding a monolayer of scandium directly to a tungsten surface is surprisingly favorable, thermodynamically. While none …

Fingering Behavior Of Flame Spread Over Solid Combustibles, Tsuneyoshi Matsuoka, Kentaro Nakashima, Takuma Kajimoto, Akihiro Yoshimasa, Yuji Nakamura

Progress in Scale Modeling, an International Journal

In this study, the fingering pattern formation and the following flamelet spreading over three different kinds of thick combustibles, i.e., Poly methacrylate (PMMA), Poly ethylene (PE) and Poly carbonate (PC) were observed and the effective Lewis number correlation was validated. Experiments were performed with a narrow channel apparatus. In addition to the kinds of solid fuel materials, the channel height and the oxidizer velocity were varied as experimental parameters. An image analysis method was developed to quantify the number, diameter and spread rate of the flamelets. Replacing the fuel thickness into the thermal thickness, the effective Lewis number which is …

Tailoring Texture, Microstructure, And Shape Memory Behavior Of Niti Alloys Fabricated By L-Pbf-Am, Sayed Ehsan Saghaian N.E.

Theses and Dissertations--Mechanical Engineering

Laser Powder Bed Fusion (L-PBF) is one of the most promising Additive Manufacturing (AM) methods to fabricate near net-shape metallic materials for a wide range of applications such as patient-specific medical devices, functionally graded materials, and complex structures. NiTi shape memory alloys (SMAs) are of great interest due to a combination of unique features, such as superelasticity, shape memory effect, high ductility, work output, corrosion resistance, and biocompatibility that could be employed in many applications in automotive, aerospace, and biomedical industries. Due to the difficulties with traditional machining and forming of NiTi components, the ability to fabricate complex parts, tailor …

Atv Dynamics And Pediatric Rider Safety, James T. Auxier Ii

Theses and Dissertations--Biomedical Engineering

It has been observed through numerous academic and governmental agency studies that pediatric all-terrain vehicle ridership carries significant risk of injury and death. While no doubt valuable to safety, the post-hoc approach employed in these studies does little to explain the why and how behind the risk factors. Furthermore, there has been no prolonged, widespread, organized, and concerted effort to reconstruct and catalog the details and causes of the large (20,000+) number of ATV-related injuries that occur each year as has been done for road-based motor vehicle accidents. This dissertation takes the opposite approach from a meta-analysis and instead examines …

Fabrication, Characterization And Applications Of Highly Conductive Wet-Spun Pedot:Pss Fibers, Ruben Sarabia Riquelme

Theses and Dissertations--Chemical and Materials Engineering

Smart electronic textiles cross conventional uses to include functionalities such as light emission, health monitoring, climate control, sensing, storage and conversion of energy, etc. New fibers and yarns that are electrically conductive and mechanically robust are needed as fundamental building blocks for these next generation textiles.

Conjugated polymers are promising candidates in the field of electronic textiles because they are made of earth-abundant, inexpensive elements, have good mechanical properties and flexibility, and can be processed using low-cost large-scale solution processing methods. Currently, the main method to fabricate electrically conductive fibers or yarns from conjugated polymers is the deposition of the …

Influence Of Size Effects On Surface Generation During Finish Machining And Surface Integrity In Ti-6al-4v, Ian S. Brown

Theses and Dissertations--Mechanical Engineering

Finish machining is an essential manufacturing process that is used to enhance the mechanical characteristics of critical components. The deformation that occurs at the tool and workpiece interface in finish machining significantly affects a host of component properties, commonly referred to as “surface integrity” properties. Surface roughness is a machining deformation-affected characteristic that is of high relevance in contemporary manufacturing. However, over recent decades it has been made clear that the material properties of the deformed surface layers are relevant to component performance as well. Predicting the overall surface quality of a machined component is of great relevance to the …

Mechanical Properties And Degradation Of High Capacity Battery Electrodes: Fundamental Understanding And Coping Strategies, Yikai Wang

Theses and Dissertations--Chemical and Materials Engineering

Rechargeable lithium ion and lithium (Li) metal batteries with high energy density and stability are in high demand for the development of electric vehicles and smart grids. Intensive efforts have been devoted to developing high capacity battery electrodes. However, the known high capacity electrode materials experience fast capacity fading and have limited cycle life due to electromechanical degradations, such as fracture of Si-based electrodes and dendrite growth in Li metal electrodes. A fundamental understanding of electromechanical degradation mechanisms of high capacity electrodes will provide insights into strategies for improving their electrochemical performance. Thus, this dissertation focuses on mechanical properties, microstructure …

Synthesis, Design, And Evaluation Of The Fluorescent Detection Of Polychlorinated Biphenyls(Pcbs) In Aqueous System, Irfan Ahmad

Theses and Dissertations--Chemical and Materials Engineering

The exposure to halogenated persistent organic pollutants (POPs), such as polychlorinated biphenyls (PCBs), has been linked to numerous inflammatory diseases, including diabetes, cancer and lowered immune response. PCBs have low solubility in water, and they interact with other contaminants, making their detection quite challenging. While, there have been several attempts at improving the ease of detection and sensing of PCBs, gas chromatography-mass spectrometry (GC-MS) remains the gold standard. However, despite its ubiquitous use, GC-MS is a challenging technique that requires high skill and careful sample preparation, which are time-consuming and costly. As such, there is still a need to develop …

Photocatalytic Activity: Experimental Features To Report In Heterogeneous Photocatalysis, Md. Ariful Hoque, Marcelo I. Guzman

Chemistry Faculty Publications

Heterogeneous photocatalysis is a prominent area of research with major applications in solar energy conversion, air pollution mitigation, and removal of contaminants from water. A large number of scientific papers related to the photocatalysis field and its environmental applications are published in different journals specializing in materials and nanomaterials. However, many problems exist in the conception of papers by authors unfamiliar with standard characterization methods of photocatalysts as well as with the procedures needed to determine photocatalytic activities based on the determination of “apparent quantum efficiencies” within a wavelength interval or “apparent quantum yields” in the case of using monochromatic …

Magneto-Optical Properties Of Thin Permalloy Films: A Study Of The Magneto-Optical Generation Of Light Carrying Angular Momentum, Patrick D. Montgomery

Theses and Dissertations--Electrical and Computer Engineering

Magneto-optical materials such as permalloy can be used to create artificial spin- ice (ASI) lattices with antiferromagnetic ordering. Magneto-optical materials used to create diffraction lattices are known to exhibit magnetic scattering at the half- order Bragg peak while in the ground state. The significant drawbacks of studying the magneto-optical generation of OAM using x-rays are cost, time, and access to proper equipment. In this work, it is shown that the possibility of studying OAM and magneto-optical materials in the spectrum of visible light at or around 2 eV is viable. Using spectroscopic ellipsometry it is possible to detect a change …

Design And Analysis Of A 3d-Printed, Thermoplastic Elastomer (Tpe) Spring Element For Use In Corrective Hand Orthotics, Kevin Thomas Richardson

Theses and Dissertations--Mechanical Engineering

This thesis proposes an algorithm that determine the geometry of 3D-printed, custom-designed spring element bands made of thermoplastic elastomer (TPE) for use in a wearable orthotic device to aid in the physical therapy of a human hand exhibiting spasticity after stroke. Each finger of the hand is modeled as a mechanical system consisting of a triple-rod pendulum with nonlinear stiffness at each joint and forces applied at the attachment point of each flexor muscle. The system is assumed quasi-static, which leads to a torque balance between the flexor tendons in the hand, joint stiffness and the design force applied to …

Band Offsets At The Interface Between Crystalline And Amorphous Silicon From First Principles, Karol Jarolimek, E. Hazrati, R. A. De Groot, D. A. De Wijs

Center for Applied Energy Research Faculty and Staff Publications

The band offsets between crystalline and hydrogenated amorphous silicon (a−Si∶H) are key parameters governing the charge transport in modern silicon heterojunction solar cells. They are an important input for macroscopic simulators that are used to further optimize the solar cell. Past experimental studies, using x-ray photoelectron spectroscopy (XPS) and capacitance-voltage measurements, have yielded conflicting results on the band offset. Here, we present a computational study on the band offsets. It is based on atomistic models and density-functional theory (DFT). The amorphous part of the interface is obtained by relatively long DFT first-principles molecular-dynamics runs at an elevated temperature …

Assessment Of Potential Impacts To Surface And Subsurface Water Bodies Due To Longwall Mining, Christopher R. Newman, Zacharias Agioutantis, Gabriel Boede Jimenez Leon

Mining Engineering Faculty Publications

Ground movements due to longwall mining operations have the potential to damage the hydrological balance within as well as outside the mine permit area in the form of increased surface ponding and changes to hydrogeological properties. Recently, the Office of Surface Mining, Reclamation and Enforcement (OSMRE) in the USA, has completed a public comment period on a newly proposed rule for the protection of streams and groundwater from adverse impacts of surface and underground mining operations (80 FR 44435). With increased community and regulatory focus on mining operations and their potential to adversely affect streams and groundwater, now there is …

Analytical Strip Method For Thin Cylindrical Shells, John T. Perkins

Theses and Dissertations--Civil Engineering

The Analytical Strip Method (ASM) for the analysis of thin cylindrical shells is presented in this dissertation. The system of three governing differential equations for the cylindrical shell are reduced to a single eighth order partial differential equation (PDE) in terms of a potential function. The PDE is solved as a single series form of the potential function, from which the displacement and force quantities are determined. The solution is applicable to isotropic, generally orthotropic, and laminated shells. Cylinders may have simply supported edges, clamped edges, free edges, or edges supported by isotropic beams. The cylindrical shell can be stiffened …

Spray Printing Of Organic Semiconducting Single Crystals, Grigorios-Panagiotis Rigas, Marcia M. Payne, John E. Anthony, Peter N. Horton, Fernando A. Castro, Maxim Shkunov

Chemistry Faculty Publications

Single-crystal semiconductors have been at the forefront of scientific interest for more than 70 years, serving as the backbone of electronic devices. Inorganic single crystals are typically grown from a melt using time-consuming and energy-intensive processes. Organic semiconductor single crystals, however, can be grown using solution-based methods at room temperature in air, opening up the possibility of large-scale production of inexpensive electronics targeting applications ranging from field-effect transistors and light-emitting diodes to medical X-ray detectors. Here we demonstrate a low-cost, scalable spray-printing process to fabricate high-quality organic single crystals, based on various semiconducting small molecules on virtually any substrate by …

First-Principles Studies Of Structure-Property Relationships: Enabling Design Of Functional Materials, Qunfei Zhou

Theses and Dissertations--Chemical and Materials Engineering

First-principles calculations based on quantum mechanics have been proved to be powerful for accurately regenerating experimental results, uncovering underlying myths of experimental phenomena, and accelerating the design of innovative materials. This work has been motivated by the demand to design next-generation thermionic emitting cathodes and techniques to allow for synthesis of photo-responsive polymers on complex surfaces with controlled thickness and patterns. For Os-coated tungsten thermionic dispenser cathodes, we used first-principles methods to explore the bulk and surface properties of W-Os alloys in order to explain the previously observed experimental phenomena that thermionic emission varies significantly with W-Os alloy composition. Meanwhile, …

Microindentation Of Bi57in26sn17 Lead-Free Alloy, Ruiting Zhao

Theses and Dissertations--Chemical and Materials Engineering

There is great need to understand the mechanical properties of lead-free alloys—an alternative of lead-based alloys—to address the environmental problems associated with the use of lead-based materials in microelectronics. In this work, the microstructures of Bi57In26Sn17 lead-free alloy were examined using Optical Microscopy and Energy Dispersive X-ray Spectroscopy analysis. The micro-indentation technique was used to study the mechanical properties of Bi57In26Sn17 lead-free alloy. The experimental results of the hardness and contact modulus were presented and discussed. Local creep during the indentation was observed from the load-displacement curves. The Vickers hardness (HV) increases with the decrease of the indentation depth, suggesting …

High Temperature Flow Solver For Aerothermodynamics Problems, Huaibao Zhang

Theses and Dissertations--Mechanical Engineering

A weakly ionized hypersonic flow solver for the simulation of reentry flow is firstly developed at the University of Kentucky. This code is the fluid dynamics module of known as Kentucky Aerothermodynamics and Thermal Response System (KATS). The solver uses a second-order finite volume approach to solve the laminar Navier– Stokes equations, species mass conservation and energy balance equations for flow in chemical and thermal non-equilibrium state, and a fully implicit first-order backward Euler method for the time integration. The hypersonic flow solver is then extended to account for very low Mach number flow using the preconditioning and switch of …

Experimental Comparison Study Of The Response Of Polycarbonate And Laminated Glass Blast Resistant Glazing Systems To Blast Loading, Joshua Calnan

Theses and Dissertations--Mining Engineering

This thesis recounts the experimental study of the dynamic response of polycarbonate blast resistant glazing systems to explosive loading through the use of triaxial load cells, pressure sensors, and a laser displacement gauge. This instrumentation captured the response of the glazing systems to blast loading over three phases of testing. The first phase of testing characterizes the load distribution around the perimeter and the second phase examines the repeatability of the results. The final phase of testing pushes the samples to failure. The results are then compared to HazL, a commonly used blast resistant glazing system analysis software tool. The …

Active Optimal Control Strategies For Increasing The Efficiency Of Photovoltaic Cells, Sharif Aljoaba

Theses and Dissertations--Electrical and Computer Engineering

Energy consumption has increased drastically during the last century. Currently, the worldwide energy consumption is about 17.4 TW and is predicted to reach 25 TW by 2035. Solar energy has emerged as one of the potential renewable energy sources. Since its first physical recognition in 1887 by Adams and Day till nowadays, research in solar energy is continuously developing. This has lead to many achievements and milestones that introduced it as one of the most reliable and sustainable energy sources. Recently, the International Energy Agency declared that solar energy is predicted to be one of the major electricity production energy …

Finite Element Analysis Of The Contact Deformation Of Piezoelectric Materials, Ming Liu

Theses and Dissertations--Chemical and Materials Engineering

Piezoelectric materials in the forms of both bulk and thin-film have been widely used as actuators and sensors due to their electromechanical coupling. The characterization of piezoelectric materials plays an important role in determining device performance and reliability. Instrumented indentation is a promising method for probing mechanical as well as electrical properties of piezoelectric materials.

The use of instrumented indentation to characterize the properties of piezoelectric materials requires analytical relations. Finite element methods are used to analyze the indentation of piezoelectric materials under different mechanical and electrical boundary conditions.

For indentation of a piezoelectric half space, a three-dimensional finite element …

Nanostructured Arrays For Sensing And Energy Storage Applications, Raghu Mangu

University of Kentucky Doctoral Dissertations

Vertically aligned multi walled carbon nanotube (MWCNT) arrays fabricated by xylene pyrolysis in anodized aluminum oxide (AAO) templates without the use of a catalyst, were integrated into a resistive sensor design. The steady state sensitivities as high as 5% and 10% for 100 ppm of NH₃ and NO₂ respectively at a flow rate of 750 sccm were observed. A study was undertaken to elucidate (i) the dependence of sensitivity on the thickness of amorphous carbon layers, (ii) the effect of UV light on gas desorption characteristics and (iii) the dependence of room temperature sensitivity on different NH_{3 …}

Evaluation Of Moisture Barriers For Fire Fighting Turnout Gear Assessment Of Product Failure And Test Method Development Predicting Failure Modes, Chastity Danielle Newsome

Theses and Dissertations--Retailing and Tourism Management

The purpose of this study was to investigate the failures seen in the moisture barrier of fire fighting turnout gear. Moisture barriers taken from garments in field were evaluated to establish a baseline for comparison. Moisture barriers were exposed as part of a three-piece ensemble and as a single layer moisture barrier to instrumental light exposure in a Carbon Arc Fade-ometer and natural sunlight exposure according to AATCC and ASTM test methods. After exposure, moisture barriers were visually examined using stereo and compound microscopes. A performance measurement was conducted on the exposed moisture barriers using a modified NFPA Hydrostatic Water …

Monitoring The Dynamics Of Scaled Vehicles Using A Sonic Digitizer, Michael J. Bader, Larry G. Wells, Linus R. Walton

Biosystems and Agricultural Engineering Faculty Publications

Certain dynamic stability characteristics of an alternate method of mounting a front-end loader to a farm tractor were compared to those of a conventionally mounted front-end loader operating on a specified terrain. One objective of the study was to determine if the alternate method of mounting a front-end loader resulted in better stability characteristics and, in turn, safer operation than a conventional front-end loader. Another objective was to determine if a three-dimensional sonic digitizer could monitor the motion of the scale model tractor-loader systems accurately enough to perform a comparison between the systems. This article describes the second objective of …