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  Partner: UNT Libraries
 Department: Department of Materials Science and Engineering
 Decade: 2010-2019
 Collection: UNT Theses and Dissertations
Corrosion Protection of Aerospace Grade Magnesium Alloy Elektron 43™ for Use in Aircraft Cabin Interiors

Corrosion Protection of Aerospace Grade Magnesium Alloy Elektron 43™ for Use in Aircraft Cabin Interiors

Date: August 2013
Creator: Baillio, Sarah S.
Description: Magnesium alloys exhibit desirable properties for use in transportation technology. In particular, the low density and high specific strength of these alloys is of interest to the aerospace community. However, the concerns of flammability and susceptibility to corrosion have limited the use of magnesium alloys within the aircraft cabin. This work studies a magnesium alloy containing rare earth elements designed to increase resistance to ignition while lowering rate of corrosion. The microstructure of the alloy was documented using scanning electron microscopy. Specimens underwent salt spray testing and the corrosion products were examined using energy dispersive spectroscopy.
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A Study of Mechanisms to Engineer Fine Scale Alpha Phase Precipitation in Beta Titanium Alloy, Beta 21S

A Study of Mechanisms to Engineer Fine Scale Alpha Phase Precipitation in Beta Titanium Alloy, Beta 21S

Date: August 2013
Creator: Behera, Amit Kishan
Description: Metastable b-Ti alloys are titanium alloys with sufficient b stabilizer alloying additions such that it's possible to retain single b phase at room temperature. These alloys are of great advantage compared to a/b alloys since they are easily cold rolled, strip produced and can attain excellent mechanical properties upon age hardening. Beta 21S, a relatively new b titanium alloy in addition to these general advantages is known to possess excellent oxidation and corrosion resistance at elevated temperatures. A homogeneous distribution of fine sized a precipitates in the parent b matrix is known to provide good combination of strength, ductility and fracture toughness. The current work focuses on a study of different mechanisms to engineer homogeneously distributed fine sized a precipitates in the b matrix. The precipitation of metastable phases upon low temperature aging and their influence on a precipitation is studied in detail. The precipitation sequence on direct aging above the w solvus temperature is also assessed. The structural and compositional evolution of precipitate phase is determined using multiple characterization tools. The possibility of occurrence of other non-classical precipitation mechanisms that do not require heterogeneous nucleation sites are also analyzed. Lastly, the influence of interstitial element, oxygen on a precipitation ...
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First Principles Calculations of the Site Substitution Behavior in Gamma Prime Phase in Nickel Based Superalloys

First Principles Calculations of the Site Substitution Behavior in Gamma Prime Phase in Nickel Based Superalloys

Date: August 2012
Creator: Chaudhari, Mrunalkumar
Description: Nickel based superalloys have superior high temperature mechanical strength, corrosion and creep resistance in harsh environments and found applications in the hot sections as turbine blades and turbine discs in jet engines and gas generator turbines in the aerospace and energy industries. The efficiency of these turbine engines depends on the turbine inlet temperature, which is determined by the high temperature strength and behavior of these superalloys. The microstructure of nickel based superalloys usually contains coherently precipitated gamma prime (?) Ni3Al phase within the random solid solution of the gamma () matrix, with the ? phase being the strengthening phase of the superalloys. How the alloying elements partition into the and ? phases and especially in the site occupancy behaviors in the strengthening ? phases play a critical role in their high temperature mechanical behaviors. The goal of this dissertation is to study the site substitution behavior of the major alloying elements including Cr, Co and Ti through first principles based calculations. Site substitution energies have been calculated using the anti-site formation, the standard defect formation formalism, and the vacancy formation based formalism. Elements such as Cr and Ti were found to show strong preference for Al sublattice, whereas Co ...
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Phase Separation and Second Phase Precipitation in Beta Titanium Alloys

Phase Separation and Second Phase Precipitation in Beta Titanium Alloys

Date: May 2011
Creator: Devaraj, Arun
Description: The current understanding of the atomic scale phenomenon associated with the influence of beta phase instabilities on the evolution of microstructure in titanium alloys is limited due to their complex nature. Such beta phase instabilities include phase separation and precipitation of nano-scale omega and alpha phases in the beta matrix. The initial part of the present study focuses on omega precipitation within the beta matrix of model binary titanium molybdenum (Ti-Mo) alloys. Direct atomic scale observation of pre-transition omega-like embryos in quenched alloys, using aberration-corrected high resolution scanning transmission electron microscopy and atom probe tomography (APT) was compared and contrasted with the results of first principles computations performed using the Vienna ab initio simulation package (VASP) to present a novel mechanism of these special class of phase transformation. Thereafter the beta phase separation and subsequent alpha phase nucleation in a Ti-Mo-Al ternary alloy was investigated by coupling in-situ high energy synchrotron x-ray diffraction with ex-situ characterization studies performed using aberration corrected transmission electron microscopy and APT to develop a deeper understanding of the mechanism of transformation. Subsequently the formation of the omega phase in the presence of simultaneous development of compositional phase separation within the beta matrix phase of a ...
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An Integrated Approach to Determine Phenomenological Equations in Metallic Systems

An Integrated Approach to Determine Phenomenological Equations in Metallic Systems

Date: December 2012
Creator: Ghamarian, Iman
Description: It is highly desirable to be able to make predictions of properties in metallic materials based upon the composition of the material and the microstructure. Unfortunately, the complexity of real, multi-component, multi-phase engineering alloys makes the provision of constituent-based (i.e., composition or microstructure) phenomenological equations extremely difficult. Due to these difficulties, qualitative predictions are frequently used to study the influence of microstructure or composition on the properties. Neural networks were used as a tool to get a quantitative model from a database. However, the developed model is not a phenomenological model. In this study, a new method based upon the integration of three separate modeling approaches, specifically artificial neural networks, genetic algorithms, and monte carlo was proposed. These three methods, when coupled in the manner described in this study, allows for the extraction of phenomenological equations with a concurrent analysis of uncertainty. This approach has been applied to a multi-component, multi-phase microstructure exhibiting phases with varying spatial and morphological distributions. Specifically, this approach has been applied to derive a phenomenological equation for the prediction of yield strength in a+b processed Ti-6-4. The equation is consistent with not only the current dataset but also, where available, the limited information regarding certain ...
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Microstructure Evolution in Laser Deposited Nickel-Titanium-Carbon in situ Metal Matrix Composite

Microstructure Evolution in Laser Deposited Nickel-Titanium-Carbon in situ Metal Matrix Composite

Date: December 2010
Creator: Gopagoni, Sundeep
Description: Ni/TiC metal matrix composites have been processed using the laser engineered net shaping (LENS) process. As nickel does not form an equilibrium carbide phase, addition of a strong carbide former in the form of titanium reinforces the nickel matrix resulting in a promising hybrid material for both surface engineering as well as high temperature structural applications. Changing the relative amounts of titanium and carbon in the nickel matrix, relatively low volume fraction of refined homogeneously distributed carbide precipitates, formation of in-situ carbide precipitates and the microstructural changes are investigated. The composites have been characterized in detail using x-ray diffraction, scanning electron microscopy (including energy dispersive spectroscopy (XEDS) mapping and electron backscatter diffraction (EBSD)), Auger electron spectroscopy, and transmission (including high resolution) electron microscopy. Both primary and eutectic titanium carbides, observed in this composite, exhibited the fcc-TiC structure (NaCl-type). Details of the orientation relationship between Ni and TiC have been studied using SEM-EBSD and high resolution TEM. The results of micro-hardness and tribology tests indicate that these composites have a relatively high hardness and a steady-state friction coefficient of ~0.5, both of which are improvements in comparison to LENS deposited pure Ni.
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Atomistic Studies of Point Defect Migration Rates in the Iron-Chromium System

Atomistic Studies of Point Defect Migration Rates in the Iron-Chromium System

Date: August 2010
Creator: Hetherly, Jeffery
Description: Generation and migration of helium and other point defects under irradiation causes ferritic steels based on the Fe-Cr system to age and fail. This is motivation to study point defect migration and the He equation of state using atomistic simulations due to the steels' use in future reactors. A new potential for the Fe-Cr-He system developed by collaborators at the Lawrence Livermore National Laboratory was validated using published experimental data. The results for the He equation of state agree well with experimental data. The activation energies for the migration of He- and Fe-interstitials in varying compositions of Fe-Cr lattices agree well with prior work. This research did not find a strong correlation between lattice ordering and interstitial migration energy
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Scratch Modeling of Polymeric Materials with Molecular Dynamics

Scratch Modeling of Polymeric Materials with Molecular Dynamics

Date: August 2012
Creator: Hilbig, Travis
Description: It is impossible to determine the amount of money that is spent every replacing products damaged from wear, but it is safe to assume that it is in the millions of dollars. With metallic materials, liquid lubricants are often used to prevent wear from materials rubbing against one another. However, with polymeric materials, liquid lubricants cause swelling, creating an increase in friction and therefore increasing the wear. Therefore, a different method or methods to mitigate wear in polymers should be developed. For better understanding of the phenomenon of wear, scratch resistance testing can be used. For this project, classic molecular dynamics is used to study the mechanics of nanometer scale scratching on amorphous polymeric materials. As a first approach, a model was created for polyethylene, considering intramolecular and intermolecular interactions as well as mass and volume of the CH2 monomers in a polymer chain. The obtained results include analysis of penetration depth and recovery percentage related to indenter force and size.
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Molecular Dynamics Simulations of the Structures of Europium Containing Silicate and Cerium Containing Aluminophosphate Glasses

Molecular Dynamics Simulations of the Structures of Europium Containing Silicate and Cerium Containing Aluminophosphate Glasses

Date: August 2012
Creator: Kokou, Leopold Lambert Yaovi
Description: Rare earth ion doped glasses find applications in optical and photonic devices such as optical windows, laser, and optical amplifiers, and as model systems for immobilization of nuclear waste. Macroscopic properties of these materials, such as luminescence efficiency and phase stability, depend strongly on the atomic structure of these glasses. In this thesis, I have studied the atomic level structure of rare earth doped silicate and aluminophosphate glasses by using molecular dynamics simulations. Extensive comparisons with experimental diffraction and NMR data were made to validate the structure models. Insights on the local environments of rare earth ions and their clustering behaviors and their dependence on glass compositions have been obtained. In this thesis, MD simulations have been used to investigate the structure of Eu2O3-doped silica and sodium silicate glasses to understand the glass composition effect on the rare earth ions local environment and their clustering behaviors in the glass matrix, for compositions with low rare earth oxide concentration (~1mol%). It was found that Eu–O distances and coordination numbers were different in silica (2.19-2.22 Å and 4.6-4.8) from those in sodium silicate (2.32 Å and 5.8). High tendencies of Eu clustering and short Eu-Eu distances in the range 3.40-3.90 Å were ...
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Electrical and Structure Properties of High-κ Barium Tantalite and Aluminum Oxide Interface with Zinc Oxide for Applications in Transparent Thin Film Transistors

Electrical and Structure Properties of High-κ Barium Tantalite and Aluminum Oxide Interface with Zinc Oxide for Applications in Transparent Thin Film Transistors

Date: August 2011
Creator: Kuo, Fang-Ling
Description: ZnO has generated interest for flexible electronics/optoelectronic applications including transparent thin film transistors (TFTs). For this application, low temperature processes that simultaneously yield good electrical conductivity and optical transparency and that are compatible with flexible substrates such as plastic, are of paramount significance. Further, gate oxides are a critical component of TFTs, and must exhibit low leakage currents and self-healing breakdown in order to ensure optimal TFTs switching performance and reliability. Thus, the objective of this work was twofold: (1) develop an understanding of the processing-structure-property relationships of ZnO and high-κ BaTa2O6 and Al2O3 (2) understand the electronic defect structure of BaTa2O6 /ZnO and Al2O3/ZnO interfaces and develop insight to how such interfaces may impact the switching characteristics (speed and switching power) of TFTs featuring these materials. Of the ZnO films grown by atomic layer deposition (ALD), pulsed laser deposition (PLD) and magnetron sputtering at 100-200 °C, the latter method exhibited the best combination of n-type electrical conductivity and optical transparency. These determinations were made using a combination of photoluminescence, photoluminescence excitation, absorption edge and Hall measurements. Metal-insulator-semiconductor devices were then fabricated with sputtered ZnO and high-κ BaTa2O6 and Al2O3 and the interfaces of high-κ BaTa2O6 and Al2O3 with ZnO ...
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