Metallurgy 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 …

Characterization Of Materials Properties In Additively Manufactured Aisi-420 Martensitic Steel Deposited By Laser Engineered Net Shaping, Md Mehadi Hassan

Nanoscience and Microsystems ETDs

Metal additive manufacturing (AM) is a disruptive technology enabling the fabrication of complex and near-net-shaped parts by adding material layer-wise. It offers reduced lead production time. AM processes are finding applications in many industrial sectors such as aerospace, automotive, biomedical, and mold tooling. Despite the tremendous advantages of AM, some challenges still prevent this technology's adoption in high-standard applications. Anisotropy and inhomogeneity in the mechanical properties of the as-built parts and the existence of pores and lack-of-fusion defects are considered the main issues in directed energy deposition (L-DED) parts. Laser-engineered net shaping LENS® offers excellent possibilities to fabricate metal tools …

Corrosion Protection Mechanisms Of Trivalent Chromium Based Passivations On Γ-Znni Coated Al6061-T6 Alloy, Kevin Foster

Doctoral Dissertations

“The role of cobalt in trivalent chromium passivations (TCPs) to improve corrosion resistance of γ-ZnNi coated steel and aluminum is based on its effect on hexavalent chromium content in the passive layer. Investigations of both a cobalt-containing and cobalt-free TCP on SAE 1008 steel indicated that both passivations protect well for up to 1000 hours in neutral salt spray exposure (SSE). A repetition on Al 6061-T6 alloy indicated that TCP performed much better than cobalt-free TCP implicating the underlying substrate. Optical and electron micrographs indicated physical changes such as crack thickness, crack density, passivation porosity, and passivation thickness existed between …

Iron-Containing Nanoparticles For The Treatment Of Chrionic Biofilm Infections In Cystic Fibrosis, Leisha M. A. Martin

Nanoscience and Microsystems ETDs

Cystic fibrosis (CF) is the most common genetic disease resulting in the morbidity and mortality of Caucasian children and adults worldwide. Due to a genetic mutation resulting in malfunction of the Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) protein, CF patients produce highly viscous mucus in their respiratory tract. This leads to impairment of the mucociliary clearance of inhaled microbes. In addition to reduced microbial clearance, anoxic environmental conditions in the lungs promote biofilm-mode growth of the pathogenic bacterial species Pseudomonas aeruginosa. Chronic infections of P. aeruginosa begin in early childhood and typically persist until respiratory failure and death result. The …

Self-Assembled Barium Titanate Nanoscale Films By Molecular Beam Epitaxy, Timothy Allen Morgan

Graduate Theses and Dissertations

One challenge of investigating ferroelectrics at the nanoscale has been controlling the stoichiometry during growth. Historically, the growth of barium titanate (BaTiO3) by molecular beam epitaxy has relied on a growth technique called shuttered RHEED. Shuttered RHEED controls the stoichiometry of barium titanate through the precise deposition of alternating layers of BaO and TiO2. While this approach has achieved 1% control of stoichiometry, finding self-limiting mechanisms to lock-in stoichiometry has been the focus of the growth community. The Goldschmidt tolerance factor predicts an unstable perovskite when barium sits in the titanium lattice site. The BaO-TiO2 phase diagram predicts a low-solubility …

Photoluminescence Measurement On Low-Temperature Metal Modulation Epitaxy Grown Gan, Yang Wu

Graduate Theses and Dissertations

A low-temperature photoluminescence (PL) study was conducted on low-temperature metal modulation epitaxy (MME) grown GaN. By comparing the PL signal from high temperature grown GaN buffer layers, and MME grown cap layers on top of the buffer layers, it was found that MME grown GaN cap has a significantly greater defect-related emission. The band edge PL from MME grown GaN found to be 3.51eV at low temperature. The binding energy of the exciton in GaN is determined to be 21meV through temperature dependence analysis. A PL peak at 3.29eV was found in the luminescence of the MME grown cap layer, …

Application Of 3d Printing Technology In Porous Anode Fabrication For Enhanced Power Output Of Microbial Fuel Cells, Bin Bian

Electronic Thesis and Dissertation Repository

Microbial fuel cells (MFCs) are widely researched for application in wastewater treatment. However, the current anodes used in MFCs often suffer from high fabrication cost and uncontrollable pore sizes. In this thesis, three-dimensional printing technique was utilized to fabricate anodes with different micro pore sizes for MFCs. Copper coating and carbonization were applied to the printed polymer anodes to increase the conductivity and specific surface area. Voltages of MFCs with various anodes were measured as well as other electrochemical tests such as linear sweep voltammetry and electrochemical impedance spectroscopy. 3D copper porous anode produced higher maximum voltages and power densities …

Resonant Spectra Of Metal Nanotoroids Of Various Sizes, Huong Quynh Tran

Electrical Engineering Undergraduate Honors Theses

Nowadays, the manipulation of light by using metallic nanostructures has wide applications in photonics, optoelectronics and energy conversion. Along with other universities all over the world, the University of Arkansas is researching on nano-antennas’ design, fabrication and applications. Current research in Dr. El-Shenawee’s Terahertz Imaging and Spectroscopy Computational Electromagnetics Group, has computationally investigated the behaviors of plasmonic nanostructures by using the commercial finite element electromagnetic solver Ansys® HFSS. This work reproduced the previous work of spectral absorption enhancement of infinite and finite arrays of silver and gold nanotoroids with sizes of the inner radii: 13nm – 21nm, while outer radius …

Atomistic Simulation And Virtual Diffraction Characterization Of Alumina Interfaces: Evaluating Structure And Stability For Predictive Physical Vapor Deposition Models, Shawn Patrick Coleman

Graduate Theses and Dissertations

The objectives of this work are to investigate the structure and energetic stability of different alumina (Al₂O₃) phases using atomistic simulation and virtual diffraction characterization. To meet these objectives, this research performs molecular statics and molecular dynamics simulations employing the reactive force-field (ReaxFF) potential to model bulk, interface, and surface structures in the θ-, γ-, κ-, and α-Al₂O₃ system. Simulations throughout this study are characterized using a new virtual diffraction algorithm, developed and implemented for this work, that creates both selected area electron diffraction (SAED) and x-ray diffraction (XRD) line profiles without assuming …

Micro-Mechanical Assessment Of The Local Plastic Strain Invoked During A Splined Mandrel Flow Forming Operation, Meysam Haghshenas

Electronic Thesis and Dissertation Repository

Splined Mandrel Flow Forming (SMFF) is a metal spinning operation that involves the application of high multiaxial compressive stress states to invoke large plastic flow in the work piece. This allows for essentially one-step fabrication of complex internally-splined shapes. In this research project, the equivalent plastic strain, invoked throughout bcc (1020 steel) and fcc (5052 and 6061 aluminum alloys, pure copper, and 70/30 brass) samples, that were made by SMFF, was measured. The objective of the research were to measure the to obtain data on the effect of microstructure and mechanical parameters on the flow formability of ductile bcc and …

Energetics And Kinetics Of Dislocation Initiation In The Stressed Volume At Small Scales, Tianlei Li

Doctoral Dissertations

Instrumented nanoindentation techniques have been widely used in characterizing mechanical behavior of materials in small length scales. For defect-free single crystals under nanoindentation, the onset of elastic-plastic transition is often shown by a sudden displacement burst in the measured load-displacement curve. It is believed to result from the homogeneous dislocation nucleation because the maximum shear stress at the pop-in load approaches the theoretical strength of the material and because statistical measurements agree with a thermally activated process of homogeneous dislocation nucleation. For single crystals with defects, the pop-in is believed to result from the sudden motion of pre-existing dislocations or …

Spectroscopic Investigation Of Palladium-Copper Bimetallic Systems For Pem Fuel Cell Catalysts, Timo Hofmann

UNLV Theses, Dissertations, Professional Papers, and Capstones

One of the main barriers to commercialization of polymer electrolyte membrane fuel cells systems is cost, which is largely due to the need of platinum (Pt)-containing catalysts. In this thesis we investigate bimetallic systems consisting of a base metal (copper) and a noble metal (palladium) that, as an alloy on the nanoscale, mimic the electronic properties that make Pt desirable as a catalyst.

We present a detailed investigation of the electronic structure of carbon-supported Pd/Cu nanoparticle catalysts, model bilayer thin film systems, alloys, and various metal reference samples. We have investigated the valence band structure of the catalysts using a …