Nanoscience and Nanotechnology 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 …

Nanostructural Origin Of Semiconductivity And Large Magnetoresistance In Epitaxial Nico2O4/Al2O3 Thin Films, Congmian Zhen, Xiaozhe Zhang, Wengang Wei, Wenzhe Guo, Ankit Pant, Xiaoshan Xu, Jian Shen, Li Ma, Denglu Hou

Xiaoshan Xu Papers

Despite low resistivity (~1 mΩ cm), metallic electrical transport has not been commonly observed in inverse spinel NiCo₂O₄, except in certain epitaxial thin films. Previous studies have stressed the effect of valence mixing and the degree of spinel inversion on the electrical conduction of NiCo₂O₄ films. In this work, we studied the effect of nanostructural disorder by comparing the NiCo₂O₄ epitaxial films grown on MgAl₂O₄ (1 1 1) and on Al₂O₃ (0 0 1) substrates. Although the optimal growth conditions are similar for the …

Interplay Of Quantum Size Effect, Anisotropy And Surface Stress Shapes The Instability Of Thin Metal Films, Mikhail Khenner

Mathematics Faculty Publications

Morphological instability of a planar surface ([111], [011], or [001]) of an ultra-thin metal film is studied in a parameter space formed by three major effects (the quantum size effect, the surface energy anisotropy and the surface stress) that influence a film dewetting. The analysis is based on the extended Mullins equation, where the effects are cast as functions of the film thickness. The formulation of the quantum size effect (Z. Zhang et al., PRL 80, 5381 (1998)) includes the oscillation of the surface energy with thickness caused by electrons confinement. By systematically comparing the effects, their contributions into the …

Irradiation-Induced Nanocluster Evolution, Didier Ishimwe, Matthew J. Swenson, Janelle P. Wharry

The Summer Undergraduate Research Fellowship (SURF) Symposium

Oxide dispersion strengthened steel (ODS) and commercial ferritic-martensitic (F-M) alloys are widely accepted candidate structural materials for designing advanced nuclear reactors. Nanoclusters embedded in the steel matrix are key microstructural features of both alloy types. Irradiation from nuclear fusion and fission affects the morphology of these nanoparticles, altering the performance of the alloys and potentially decreasing their usable lifetime. Thus, it is important to understand the effect of irradiation on these nanoparticles in order to predict long-term nuclear reactor performance. It was found that the evolution of nanoclusters in each material is different depending on the experimental irradiation parameters. The …

Fabrication And Study Of The Structure And Magnetism Of Rare-Earth Free Nanoclusters, Bhaskar Das

Department of Physics and Astronomy: Dissertations, Theses, and Student Research

No abstract provided.

Mechanical Properties Of Stainless Steels With Heterogeneous Nanostructures, Hiromi Miura, Masakazu Kobayashi, Natuko Sugiura, Naoki Yoshinaga

The 8th International Conference on Physical and Numerical Simulation of Materials Processing

No abstract provided.

Wetting And Interfacial Microstructure Of Porous Si3n4/Si3n4 Joint After Silver Metallization, Yanli Zhuang, Tiesong Lin, Shengjin Wang, Peng He, Dusan P. Sekulic, Dechang Jia, Hongmei Wei

The 8th International Conference on Physical and Numerical Simulation of Materials Processing

No abstract provided.

Review On Joining Of Advanced Materials And Dissimilar Materials In Harbin Institute Of Technology, Jun Qu, Yongping Lei, Peng He, Yunlong Chang

The 8th International Conference on Physical and Numerical Simulation of Materials Processing

No abstract provided.

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 …

Site Specifc Growth Of Metal Catalyzed Silica Nanowires For Biological And Chemical Sensing, Eric G. Huey

FIU Electronic Theses and Dissertations

In this research the integration of nanostructures and micro-scale devices was investigated using silica nanowires to develop a simple yet robust nanomanufacturing technique for improving the detection parameters of chemical and biological sensors. This has been achieved with the use of a dielectric barrier layer, to restrict nanowire growth to site-specific locations which has removed the need for post growth processing, by making it possible to place nanostructures on pre-pattern substrates. Nanowires were synthesized using the Vapor-Liquid-Solid growth method. Process parameters (temperature and time) and manufacturing aspects (structural integrity and biocompatibility) were investigated.

Silica nanowires were observed experimentally to determine …

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 …

Development Of Nanostructure Based Corrosion-Barrier Coatings On Steel For Transmutation Applications, Biswajit Das

Transmutation Sciences Materials (TRP)

Advanced transmutation systems require structural materials that are able to withstand high neutron fluxes, high thermal cycling, and high resistance to chemical corrosion. The current candidate materials for such structures are ferritic and ferritic-martensitic steels due to their strong resistance to swelling, good microstructural stability under irradiation, and the retention of adequate ductility at typical reactor operating temperatures.

In parallel, lead-bismuth eutectic (LBE) has emerged as a potential spallation target material for efficient production of neutrons, as well as a coolant in the accelerator system. While LBE has excellent properties as a nuclear coolant, it is also highly corrosive to …

Development Of Nanostructure Based Corrosion-Barrier Coatings On Steel For Transmutation Applications, Biswajit Das

Transmutation Sciences Materials (TRP)

Advanced transmutation systems require structural materials that are able to withstand high neutron fluxes, high thermal cycling, and high resistance to chemical corrosion. The current candidate materials for such structures are ferritic and ferritic-martensitic steels due to their strong resistance to swelling, good microstructural stability under irradiation, and the retention of adequate ductility at typical reactor operating temperatures.

In parallel, lead-bismuth eutectic (LBE) has emerged as a potential spallation target material for efficient production of neutrons, as well as a coolant in the accelerator system. While LBE has excellent properties as a nuclear coolant, it is also highly corrosive to …

Corrosion Barrier Development For Lbe Corrosion Resistance: Quarterly Report (April 2006), Biswajit Das

Transmutation Sciences Materials (TRP)

As reported in the last quarterly report, synthesis of Cr nanowires was found to be problematic in terms of uniform coverage. Hence Ni was identified as the alternative metal to form the nanowires. The purpose of the metal nanowires is to provide structural integrity to the nanoporous alumina, as well as a second defense mechanism against corrosion by oxidizing in case the top alumina layer is compromised. Nickel was selected due to its established electrochemical synthesis procedure. While Ni can provide very good structural integrity to the porous alumina, one potential problem is its higher dissolution rate in LBE. However, …

Development Of Nanostructure Based Corrosion-Barrier Coatings On Steel For Transmutation Applications, Biswajit Das

Transmutation Sciences Materials (TRP)

Advanced transmutation systems require structural materials that are able to withstand high neutron fluxes, high thermal cycling, and high resistance to chemical corrosion. The current candidate materials for such structures are ferritic and ferritic-martensitic steels due to their strong resistance to swelling, good microstructural stability under irradiation, and the retention of adequate ductility at typical reactor operating temperatures.

In parallel, lead bismuth eutectic (LBE) has emerged as a potential spallation target material for efficient production of neutrons, as well as a coolant in the accelerator system. While LBE has excellent properties as a nuclear coolant, it is also highly corrosive …

Corrosion Barrier Development For Lbe Corrosion Resistance, Biswajit Das

Transmutation Sciences Materials (TRP)

In the last quarter, a specialized sample holder was developed for the anodization of alumina on steel. In addition, it was determined that oxalic acid was the most appropriate acid for the anodization of these structures. The steel samples obtained from LANL were first cut into a number of pieces, each measuring 11mm x 8mm x 1.6mm, to allow multiple experiments. Special care was taken to ensure that the cutting process did not damage the samples. After investigation of several techniques, including laser cutting, the samples were cut using EDM wires. The cut steel pieces did not show any damage …

Corrosion Barrier Development For Lbe Corrosion Resistance: Quaterly Report, Biswajit Das

Transmutation Sciences Materials (TRP)

With the demonstration of formation of nanoporous alumina on steel and its good adhesion to substrate under thermal cycling, the next project task was to synthesize Chromium nanowires inside the alumina pores. During the previous quarter, a specialized sample holder was developed towards this goal. Various techniques for the deposition of Chromium were investigated and electro-deposition was determined to be the most suitable approach due to the large aspect ratio of the pores. A challenge in using electro-deposition for porous alumina is the potential sealing of the pores in aqueous solutions at higher temperatures. To avoid this problem, a search …

Development Of Nanostructure Based Corrosion-Barrier Coatings On Steel For Transmutation Applications, Biswajit Das

Transmutation Sciences Materials (TRP)

Advanced transmutation systems require structural materials that are able to withstand high neutron fluxes, high thermal cycling, and high resistance to chemical corrosion. The current candidate materials for such structures are ferritic and ferritic-martensitic steels due to their strong resistance to swelling, good microstructural stability under irradiation, and the retention of adequate ductility at typical reactor operating temperatures.

In parallel, lead bismuth eutectic (LBE) has emerged as a potential spallation target material for efficient production of neutrons, as well as a coolant in the accelerator system. While LBE has excellent properties as a nuclear coolant, it is also highly corrosive …

Development Of Nanostructure Based Corrosion-Barrier Coatings On Steel For Transmutation Applications, Biswajit Das

Transmutation Sciences Materials (TRP)

The objective of this project is to develop a novel nanostructure based coating technology that will provide significantly improved corrosion resistance for steel in LBE at elevated temperatures (500 - 600^oC), as well as provide long-term reliability under thermal cycling. The nanostructure based coatings will consist of a layer of nanoporous alumina with the pores filled with an oxidizing metal such as Cr, followed by a capping layer of alumina. Alumina, which is a robust anti-corrosion material, provides corrosion resistance at elevated temperatures. The Cr serves two purposes: (1) it acts as a solid filler material for the …

Development Of Nanostructure Based Corrosion-Barrier Coatings On Steel For Transmutation Applications: Quaterly Report, Biswajit Das

Transmutation Sciences Materials (TRP)

During the past quarter, this project employed one graduate student and two undergraduate student researchers and made the following accomplishments :

• Acquisition of steel samples for experiments

• Design and fabrication of specialized anodization apparatus to accommodate steel samples

• Investigation of adhesiveness of aluminum on steel

• Investigation of effects of anodizing acids on steel to identify most appropriate acid and a suitable barrier material