Additive Manufacturing of Metastable Beta Titanium Alloys (open access)

Additive Manufacturing of Metastable Beta Titanium Alloys

Additive manufacturing processes of many alloys are known to develop texture during the deposition process due to the rapid reheating and the directionality of the dissipation of heat. Titanium alloys and with respect to this study beta titanium alloys are especially susceptible to these effects. This work examines Ti-20wt%V and Ti-12wt%Mo deposited under normal additive manufacturing process parameters to examine the texture of these beta-stabilized alloys. Both microstructures contained columnar prior beta grains 1-2 mm in length beginning at the substrate with no visible equiaxed grains. This microstructure remained constant in the vanadium system throughout the build. The microstructure of the alloy containing molybdenum changed from a columnar to an equiaxed structure as the build height increased. Eighteen additional samples of the Ti-Mo system were created under different processing parameters to identify what role laser power and travel speed have on the microstructure. There appears to be a correlation in alpha lath size and power density. The two binary alloys were again deposited under the same conditions with the addition of 0.5wt% boron to investigate the effects an insoluble interstitial alloying element would have on the microstructure. The size of the prior beta grains in these two alloys were reduced …
Date: August 2017
Creator: Yannetta, Christopher James
System: The UNT Digital Library
Atomistic Computer Simulations of Diffusion Mechanisms in Lithium Lanthanum Titanate Solid State Electrolytes for Lithium Ion Batteries (open access)

Atomistic Computer Simulations of Diffusion Mechanisms in Lithium Lanthanum Titanate Solid State Electrolytes for Lithium Ion Batteries

Solid state lithium ion electrolytes are important to the development of next generation safer and high power density lithium ion batteries. Perovskite-structured LLT is a promising solid electrolyte with high lithium ion conductivity. LLT also serves as a good model system to understand lithium ion diffusion behaviors in solids. In this thesis, molecular dynamics and related atomistic computer simulations were used to study the diffusion behavior and diffusion mechanism in bulk crystal and grain boundary in lithium lanthanum titanate (LLT) solid state electrolytes. The effects of defect concentration on the structure and lithium ion diffusion behaviors in LLT were systematically studied and the lithium ion self-diffusion and diffusion energy barrier were investigated by both dynamic simulations and static calculations using the nudged elastic band (NEB) method. The simulation results show that there exist an optimal vacancy concentration at around x=0.067 at which lithium ions have the highest diffusion coefficient and the lowest diffusion energy barrier. The lowest energy barrier from dynamics simulations was found to be around 0.22 eV, which compared favorably with 0.19 eV from static NEB calculations. It was also found that lithium ions diffuse through bottleneck structures made of oxygen ions, which expand in dimension by 8-10% …
Date: August 2014
Creator: Chen, Chao-Hsu
System: The UNT Digital Library
Atomistic Studies of Point Defect Migration Rates in the Iron-Chromium System (open access)

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

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
Date: August 2010
Creator: Hetherly, Jeffery
System: The UNT Digital Library
Biocompatible Hybrid Nanomaterials Involving Polymers and Hydrogels Interfaced with Phosphorescent Complexes and Toxin-Free Metallic Nanoparticles for Biomedical Applications (open access)

Biocompatible Hybrid Nanomaterials Involving Polymers and Hydrogels Interfaced with Phosphorescent Complexes and Toxin-Free Metallic Nanoparticles for Biomedical Applications

The major topics discussed are all relevant to interfacing brightly phosphorescent and non-luminescent coinage metal complexes of [Ag(I) and Au(I)] with biopolymers and thermoresponsive gels for making hybrid nanomaterials with an explanation on syntheses, characterization and their significance in biomedical fields. Experimental results and ongoing work on determining outreaching consequences of these hybrid nanomaterials for various biomedical applications like cancer therapy, bio-imaging and antibacterial abilities are described. In vitro and in vivo studies have been performed on majority of the discussed hybrid nanomaterials and determined that the cytotoxicity or antibacterial activity are comparatively superior when compared to analogues in literature. Consequential differences are noticed in photoluminescence enhancement from hybrid phosphorescent hydrogels, phosphorescent complex ability to physically crosslink, Au(I) sulfides tendency to form NIR (near-infrared) absorbing AuNPs compared to any similar work in literature. Syntheses of these hybrid nanomaterials has been thoroughly investigated and it is determined that either metallic nanoparticles syntheses or syntheses of phosphorescent hydrogels can be carried in single step without involving any hazardous reducing agents or crosslinkers or stabilizers that are commonly employed during multiple step syntheses protocols for syntheses of similar materials in literature. These astounding results that have been discovered within studies of hybrid nanomaterials …
Date: August 2011
Creator: Marpu, Sreekar B.
System: The UNT Digital Library
Carrier Mobility, Charge Trapping Effects on the Efficiency of Heavily Doped Organic Light-Emitting Diodes, and EU(lll) Based Red OLEDs (open access)

Carrier Mobility, Charge Trapping Effects on the Efficiency of Heavily Doped Organic Light-Emitting Diodes, and EU(lll) Based Red OLEDs

Transient electroluminescence (EL) was used to measure the onset of emission delay in OLEDs based on transition metal, phosphorescent bis[3,5-bis(2-pyridyl)-1,2,4-triazolato] platinum(ΙΙ) and rare earth, phosphorescent Eu(hfa)3 with 4'-(p-tolyl)-2,2":6',2" terpyridine (ttrpy) doped into 4,4'-bis(carbazol-9-yl) triphenylamine (CBP), from which the carrier mobility was determined. For the Pt(ptp)2 doped CBP films in OLEDs with the structure: ITO/NPB (40nm)/mcp (10nm)/65% Pt(ptp)2:CBP (25nm)/TPBI (30nm)/Mg:Ag (100nm), where NPB=N, N'-bis(1-naphthyl)-N-N'-biphenyl-1, 1'-biphenyl-4, MCP= N, N'-dicarbazolyl-3,5-benzene, TPBI=1,3,5-tris(phenyl-2-benzimidazolyl)-benzene, delayed recombination was observed and based on its dependence on frequency and duty cycle, ascribed to trapping and de-trapping processes at the interface of the emissive layer and electron blocker. The result suggests that the exciton recombination zone is at, or close to the interface between the emissive layer and electron blocker. The lifetime of the thin films of phosphorescent emitter Pt(ptp)2 were studied for comparison with rare earth emitter Eu(hfa)3. The lifetime of 65% Pt(ptp)2:CBP co-film was around 638 nanoseconds at the emission peak of 572nm, and the lifetime of neat Eu(hfa)3 film was obtained around 1 millisecond at 616 nm, which supports the enhanced efficiency obtained from the Pt(ptp)2 devices. The long lifetime and narrow emission of the rare earth dopant Eu(hfa)3 is a fundamental factor limiting device performance. Red …
Date: August 2010
Creator: Lin, Ming-Te
System: The UNT Digital Library
Comparative Coarsening Kinetics of Gamma Prime Precipitates in Nickel and Cobalt Base Superalloys (open access)

Comparative Coarsening Kinetics of Gamma Prime Precipitates in Nickel and Cobalt Base Superalloys

The increasing technological need to push service conditions of structural materials to higher temperatures has motivated the development of several alloy systems. Among them, superalloys are an excellent candidate for high temperature applications because of their ability to form coherent ordered precipitates, which enable the retention of high strength close to their melting temperature. The accelerated kinetics of solute diffusion, with or without an added component of mechanical stress, leads to coarsening of the precipitates, and results in microstructural degradation, limiting the durability of the materials. Hence, the coarsening of precipitates has been a classical research problem for these alloys in service. The prolonged hunt for an alternative of nickel base superalloys with superior traits has gained hope after the recent discovery of Co-Al-W based alloys, which readily form high temperature g precipitates, similar to Ni base superalloys. In the present study, coarsening behavior of g precipitates in Co-10Al-10W (at. %) has been carried out at 800°C and 900°C. This study has, for the first time, obtained critical coarsening parameters in cobalt-base alloys. Apart from this, it has incorporated atomic scale compositional information across the g/g interfaces into classical Cahn-Hilliard model for a better model of coarsening kinetics. The coarsening …
Date: August 2014
Creator: Meher, Subhashish
System: The UNT Digital Library
Compostable Soy-Based Polyurethane Foam with Kenaf Core Modifiers (open access)

Compostable Soy-Based Polyurethane Foam with Kenaf Core Modifiers

Building waste and disposable packaging are a major component in today's landfills. Most of these are structural or thermally insulative polymer foams that do not degrade over a long period of time. Currently, there is a push to replace these foams with thermoplastic or biodegradable foams that can either be recycled or composted. We propose the use of compostable soy-based polyurethane foams (PU) with kenaf core modifiers that will offer the desired properties with the ability to choose responsible end-of-life decisions. The effect of fillers is a critical parameter in investigating the thermal and mechanical properties along with its effect on biodegradability. In this work, foams with 5%, 10%, and 15% kenaf core content were created. Two manufacturing approaches were used: the free foaming used by spray techniques and the constrained expansion complementary to a mold cavity. Structure-property relations were examined using differential scanning calorimetry (DSC), dynamic mechanical analysis (DMA), thermal conductivity, compression values, scanning electron microscopy (SEM), x-ray micro-computed tomography (micro-CT), and automated multiunit composting system (AMCS). The results show that mechanical properties are reduced with the introduction of kenaf core reinforcement while thermal conductivity and biodegradability display a noticeable improvement. This shows that in application properties can be …
Date: August 2016
Creator: Hoyt, Zachary
System: The UNT Digital Library
Computational Studies on Structures and Ionic Diffusion of Bioactive Glasses (open access)

Computational Studies on Structures and Ionic Diffusion of Bioactive Glasses

Bioactive glasses are a class of synthetic inorganic material that have wide orthopedics, dentistry, tissue engineering and other biomedical applications. The origin of the bioactivity is closely related to the atomic structures of these novel glass materials, which otherwise lack long range order and defies any direct experimental measurements due to their amorphous nature. The structure of bioactive glasses is thus essential for the understanding of bioactive behaviors and eventually rational design of glass compositions. In this dissertation, molecular dynamics (MD) and reverse monte carlo (RMC) based computer simulations have been used to systematically study the atomic structure of three classes of new bioactive glasses: strontium doped 45S5 Bioglass®, ZnO-SrO containing bioactive glasses, and Cao-MgO-P2O5-SiO2 bioactive glasses. Properties such as ionic diffusion that are important to glass dissolution behaviors are also examined as a function of glass compositions. The accuracy of structure model generated by simulation was validated by comparing with various experimental measurements including X-ray/neutron diffraction, NMR and Raman spectroscopy. It is shown in this dissertation that atomistic computer simulations, when integrated with structural and property characterizations, is an effective tool in understanding the structural origin of bioactivity and other properties of amorphous bioactive materials that can lead to …
Date: August 2014
Creator: Xiang, Ye
System: The UNT Digital Library
Computational Study of Dislocation Based Mechanisms in FCC Materials (open access)

Computational Study of Dislocation Based Mechanisms in FCC Materials

Understanding the relationships between microstructures and properties of materials is a key to developing new materials with more suitable qualities or employing the appropriate materials in special uses. In the present world of material research, the main focus is on microstructural control to cost-effectively enhance properties and meet performance specifications. This present work is directed towards improving the fundamental understanding of the microscale deformation mechanisms and mechanical behavior of metallic alloys, particularly focusing on face centered cubic (FCC) structured metals through a unique computational methodology called three-dimensional dislocation dynamics (3D-DD). In these simulations, the equations of motion for dislocations are mathematically solved to determine the evolution and interaction of dislocations. Microstructure details and stress-strain curves are a direct observation in the simulation and can be used to validate experimental results. The effect of initial dislocation microstructure on the yield strength has been studied. It has been shown that dislocation density based crystal plasticity formulations only work when dislocation densities/numbers are sufficiently large so that a statistically accurate description of the microstructure can be obtainable. The evolution of the flow stress for grain sizes ranging from 0.5 to 10 µm under uniaxial tension was simulated using an improvised model by integrating …
Date: August 2014
Creator: Yellakara, Ranga Nikhil
System: The UNT Digital Library
Corrosion Protection of Aerospace Grade Magnesium Alloy Elektron 43™ for Use in Aircraft Cabin Interiors (open access)

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

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.
Date: August 2013
Creator: Baillio, Sarah S.
System: The UNT Digital Library
Definition of Brittleness: Connections Between Mechanical and Tribological Properties of Polymers. (open access)

Definition of Brittleness: Connections Between Mechanical and Tribological Properties of Polymers.

The increasing use of polymer-based materials (PBMs) across all types of industry has not been matched by sufficient improvements in understanding of polymer tribology: friction, wear, and lubrication. Further, viscoelasticity of PBMs complicates characterization of their behavior. Using data from micro-scratch testing, it was determined that viscoelastic recovery (healing) in sliding wear is independent of the indenter force within a defined range of load values. Strain hardening in sliding wear was observed for all materials-including polymers and composites with a wide variety of chemical structures-with the exception of polystyrene (PS). The healing in sliding wear was connected to free volume in polymers by using pressure-volume-temperature (P-V-T) results and the Hartmann equation of state. A linear relationship was found for all polymers studied with again the exception of PS. The exceptional behavior of PS has been attributed qualitatively to brittleness. In pursuit of a precise description of such, a quantitative definition of brittleness has been defined in terms of the elongation at break and storage modulus-a combination of parameters derived from both static and dynamic mechanical testing. Furthermore, a relationship between sliding wear recovery and brittleness for all PBMs including PS is demonstrated. The definition of brittleness may be used as …
Date: August 2008
Creator: Hagg Lobland, Haley E.
System: The UNT Digital Library
Design of a Polymeric Coating for Protecting Thermoelectric Materials from Sublimation and Oxidation (open access)

Design of a Polymeric Coating for Protecting Thermoelectric Materials from Sublimation and Oxidation

Thermoelectric (TE) devices can undergo degradation from reactions in corrosive environments and at higher operating temperatures by sublimation and oxidation. To prevent the degradation, we have applied two high temperature polymers (HTPs) as coatings for TE materials. Sintering temperatures were from 250°C to 400°C. We explain why dip coating is better technique in our study and had two potential HTPs for tests. By applying TGA (thermogravimetric analysis), we were able to figure out which HTPs have better thermal resistivity. Besides, TGA also help us to find proper curing cycles for HTPs. EDS and SEM results show that the coatings prevent oxidation and sublimation of TE materials. We also shorten HTP curing cycle time and lower the energy costs.
Date: August 2019
Creator: Chen, I Kang
System: The UNT Digital Library
Determination of Wear in Polymers Using Multiple Scratch Test. (open access)

Determination of Wear in Polymers Using Multiple Scratch Test.

Wear is an important phenomenon that occurs in all the polymer applications in one form or the other. However, important links between materials properties and wear remain illusive. Thus optimization of material properties requires proper understanding of polymer properties. Studies to date have typically lacked systematic approach to all polymers and wear test developed are specific to some polymer classes. In this thesis, different classes of polymers are selected and an attempt is made to use multiple scratch test to define wear and to create a universal test procedure that can be employed to most of the polymers. In each of the materials studied, the scratch penetration depth s reaches a constant value after certain number of scratches depending upon the polymer and its properties. Variations in test parameters like load and speed are also studied in detail to understand the behavior of polymers and under different conditions. Apart from polystyrene, all the other polymers studied under multiple scratch test reached asymptotes at different scratch numbers.
Date: August 2004
Creator: Damarla, Gowrisankar
System: The UNT Digital Library
Developing Precipitation Hardenable High Entropy Alloys (open access)

Developing Precipitation Hardenable High Entropy Alloys

High entropy alloys (HEAs) is a concept wherein alloys are constructed with five or more elements mixed in equal proportions; these are also known as multi-principle elements (MPEs) or complex concentrated alloys (CCAs). This PhD thesis dissertation presents research conducted to develop precipitation-hardenable high entropy alloys using a much-studied fcc-based equi-atomic quaternary alloy (CoCrFeNi). Minor additions of aluminium make the alloy amenable for precipitating ordered intermetallic phases in an fcc matrix. Aluminum also affects grain growth kinetics and Hall-Petch hardenability. The use of a combinatorial approach for assessing composition-microstructure-property relationships in high entropy alloys, or more broadly in complex concentrated alloys; using laser deposited compositionally graded AlxCrCuFeNi2 (0 < x < 1.5) complex concentrated alloys as a candidate system. The composition gradient has been achieved from CrCuFeNi2 to Al1.5CrCuFeNi2 over a length of ~25 mm, deposited using the laser engineered net shaping process from a blend of elemental powders. With increasing Al content, there was a gradual change from an fcc-based microstructure (including the ordered L12 phase) to a bcc-based microstructure (including the ordered B2 phase), accompanied with a progressive increase in microhardness. Based on this combinatorial assessment, two promising fcc-based precipitation strengthened systems have been identified; Al0.3CuCrFeNi2 and Al0.3CoCrFeNi, …
Date: August 2017
Creator: Gwalani, Bharat
System: The UNT Digital Library
Device Engineering for Enhanced Efficiency from Platinum(II) Phosphorescent OLEDs (open access)

Device Engineering for Enhanced Efficiency from Platinum(II) Phosphorescent OLEDs

Phosphorescent organic light emitting diodes (PHOLEDs) based on efficient electrophosphorescent dopant, platinum(II)-pyridyltriazolate complex, bis[3,5-bis(2-pyridyl)-1,2,4-triazolato]platinum(II) (Pt(ptp)2) have been studied and improved with respect to power efficiency, external efficiency, chromacity and efficiency roll-off. By studying the electrical and optical behavior of the doped devices and functionality of the various constituent layers, devices with a maximum EQE of 20.8±0.2 % and power efficiency of 45.1±0.9 lm/W (77lm/W with luminaries) have been engineered. This improvement compares to devices whose emission initially could only be detected by a photomultiplier tube in a darkened environment. These devices consisted of a 65 % bis[3,5-bis(2-pyridyl)-1,2,4-triazolato]platinum(II) (Pt(ptp)2) doped into 4,4'-bis(carbazol-9-yl)triphenylamine (CBP) an EML layer, a hole transporting layer/electron blocker of 1,1-bis[(di-4-tolylamino)phenyl]cyclohexane (TAPC), an electron transport layer of 1,3,5-tris(phenyl-2-benzimidazolyl)-benzene (TPBI), and a LiF/Al cathode. These devices show the acceptable range for warm white light quadrants and qualify to be called "warm white" even w/o adding another emissive layer. Dual EML devices composed of neat Pt(ptp)2 films emitting orange and CBP: Pt(ptp)2 film emitting blue-green produced a color rendering index (CRI) of 59 and color coordinates (CIE) of (0.47,0.49) at 1000Cd/m² with power efficiency of 12.6±0.2 lm/W and EQE of 10.8±0.2 %. Devices with two blue fluorescent emission layers as singlet …
Date: August 2010
Creator: Li, Minghang
System: The UNT Digital Library
Dislocation Dynamics Simulations of Plasticity in Cu Thin Films (open access)

Dislocation Dynamics Simulations of Plasticity in Cu Thin Films

Strong size effects in plastic deformation of thin films have been experimentally observed, indicating non-traditional deformation mechanisms. These observations require improved understanding of the behavior of dislocation in small size materials, as they are the primary plastic deformation carrier. Dislocation dynamics (DD) is a computational method that is capable of directly simulating the motion and interaction of dislocations in crystalline materials. This provides a convenient approach to study micro plasticity in thin films. While two-dimensional dislocation dynamics simulation in thin film proved that the size effect fits Hall-Petch equation very well, there are issues related to three-dimensional size effects. In this work, three-dimensional dislocation dynamics simulations are used to study model cooper thin film deformation. Grain boundary is modeled as impenetrable obstacle to dislocation motion in this work. Both tension and cyclic loadings are applied and a wide range of size and geometry of thin films are studied. The results not only compare well with experimentally observed size effects on thin film strength, but also provide many details on dislocation processes in thin films, which could greatly help formulate new mechanisms of dislocation-based plasticity.
Date: August 2013
Creator: Wu, Han
System: The UNT Digital Library
Electrical and Structure Properties of High-κ Barium Tantalite and Aluminum Oxide Interface with Zinc Oxide for Applications in Transparent Thin Film Transistors (open access)

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

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 …
Date: August 2011
Creator: Kuo, Fang-Ling
System: The UNT Digital Library
Evolution of Precipitates and Their Influence on the Mechanical Properties of β-Titanium Alloys (open access)

Evolution of Precipitates and Their Influence on the Mechanical Properties of β-Titanium Alloys

Over the last few decades, body-centered-cubic (bcc) beta (β) titanium alloys have largely been exploited as structural alloys owing to the richness in their microstructural features. These features, which lead to a unique combination of high specific strength and ductility, excellent hardenability, good fatigue performance, and corrosion resistance, make these alloys viable candidates for many applications, including aerospace, automobile, and orthopedic implants. The mechanical properties of these alloys strongly depend on the various phases present; which can be controlled by thermomechanical treatments and/or alloy design. The two most important and studied phases are the metastable ω phase and the stable α phase. The present study focuses on the microstructural evolution and the mechanical behavior of these two phases in a model β-Ti alloy, binary Ti-12wt. %Mo alloy, and a commercial β-Ti alloy, β-21S. Microstructures containing athermal and isothermal ω phases in the binary Ti-12wt. %Mo alloy are obtained under specific accurate temperature controlled heat treatments. The formation and the evolution of the ω-phase based microstructures are investigated in detail via various characterization techniques such as SEM, TEM, and 3D atom probe tomography. The mechanical behavior was investigated via quasi-static tensile loading; at room and elevated temperatures. The effect of β …
Date: August 2017
Creator: Mantri, Srinivas Aditya
System: The UNT Digital Library
First Principles Calculations of the Site Substitution Behavior in Gamma Prime Phase in Nickel Based Superalloys (open access)

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

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 …
Date: August 2012
Creator: Chaudhari, Mrunalkumar
System: The UNT Digital Library
First Principles Study of Metastable Beta Titanium Alloys (open access)

First Principles Study of Metastable Beta Titanium Alloys

The high temperature BCC phase (b) of titanium undergoes a martensitic transformation to HCP phase (a) upon cooling, but can be stabilized at room temperature by alloying with BCC transition metals such as Mo. There exists a metastable composition range within which the alloyed b phase separates into a + b upon equilibrium cooling but not when rapidly quenched. Compositional partitioning of the stabilizing element in as-quenched b microstructure creates nanoscale precipitates of a new simple hexagonal w phase, which considerably reduces ductility. These phase transformation reactions have been extensively studied experimentally, yet several significant questions remain: (i) The mechanism by which the alloying element stabilizes the b phase, thwarts its transformation to w, and how these processes vary as a function of the concentration of the stabilizing element is unclear. (ii) What is the atomistic mechanism responsible for the non-Arrhenius, anomalous diffusion widely observed in experiments, and how does it extend to low temperatures? How does the concentration of the stabilizing elements alter this behavior? There are many other w forming alloys that such exhibit anomalous diffusion behavior. (iii) A lack of clarity remains on whether w can transform to a -phase in the crystal bulk or if it …
Date: August 2015
Creator: Gupta, Niraj
System: The UNT Digital Library
Friction Stir Welding of High Strength Precipitation Strengthened Aluminum Alloys (open access)

Friction Stir Welding of High Strength Precipitation Strengthened Aluminum Alloys

Rising demand for improved fuel economy and structural efficiency are the key factors for use of aluminum alloys for light weighting in aerospace industries. Precipitation strengthened 2XXX and 7XXX aluminum alloys are the key aluminum alloys used extensively in aerospace industry. Welding and joining is the critical step in manufacturing of integrated structures. Joining of precipitation strengthened aluminum alloys using conventional fusion welding techniques is difficult and rather undesirable in as it produces dendritic microstructure and porosities which can undermine the structural integrity of weldments. Friction stir welding, invented in 1991, is a solid state joining technique inherently benefitted to reduces the possibility of common defects associated with fusion based welding techniques. Weldability of various 2XXX and 7XXX aluminum alloys via friction stir welding was investigated. Microstructural and mechanical property evolution during welding and after post weld heat treatment was studied using experimental techniques such as transmission electron microscopy, differential scanning calorimetry, hardness testing, and tensile testing. Various factors such as peak welding temperature, cooling rate, external cooling methods (thermal management) which affects the strength of the weldment were studied. Post weld heat treatment of AL-Mg-Li alloy produced joint as strong as the parent material. Modified post weld heat treatment …
Date: August 2016
Creator: Sidhar, Harpreet
System: The UNT Digital Library
Friction Stir Welding of Precipitation Strengthened Aluminum 7449 Alloys (open access)

Friction Stir Welding of Precipitation Strengthened Aluminum 7449 Alloys

The Al-Zn-Mg-Cu (7XXX series) alloys are amongst the strongest aluminum available. However, they are considered unweldable with conventional fusion techniques due to the negative effects that arise with conventional welding, including hydrogen porosity, hot cracking, and stress corrosion cracking. For this reason, friction stir welding has emerged as the preferred technique to weld 7XXX series alloys. Aluminum 7449 is one of the highest strength 7XXX series aluminum alloy. This is due to its higher zinc content, which leads to a higher volume fraction of eta' precipitates. It is typically used in a slight overaged condition since it exhibits better corrosion resistance. In this work, the welds of friction stir welded aluminum 7449 were studied extensively. Specific focus was placed in the heat affected zone (HAZ) and nugget. Thermocouples were used in the heat affected zone for three different depths to obtain thermal profiles as well as cooling/heating profiles. Vicker microhardness testing, transmission electron microscope (TEM), and differential scanning calorimeter (DSC) were used to characterize the welds. Two different tempers of the alloy were used, a low overaged temper and a high overaged temper. A thorough comparison of the two different tempers was done. It was found that highly overaged aluminum …
Date: August 2016
Creator: Martinez, Nelson Y
System: The UNT Digital Library
Gamma Prime Precipitation Mechanisms and Solute Partitioning in Ni-base Alloys (open access)

Gamma Prime Precipitation Mechanisms and Solute Partitioning in Ni-base Alloys

Nickel-base superalloys have been emerged as materials for gas turbines used for jet propulsion and electricity generation. The strength of the superalloys depends mainly from an ordered precipitates of L12 structure, so called gamma prime (γ’) dispersed within the disorder γ matrix. The Ni-base alloys investigated in this dissertation comprise both model alloy systems based on Ni-Al-Cr and Ni-Al-Co as well as the commercial alloy Rene N5. Classical nucleation and growth mechanism dominates the γ’ precipitation process in slowed-cooled Ni-Al-Cr alloys. The effect of Al and Cr additions on γ’ precipitate size distribution as well as morphological and compositional development of γ’ precipitates were characterized by coupling transmission electron microscopy (TEM) and 3D atom probe (3DAP) techniques. Rapid quenching Ni-Al-Cr alloy experiences a non-classical precipitation mechanism. Structural evolution of the γ’ precipitates formed and subsequent isothermal annealing at 600 °C were investigated by coupling TEM and synchrotron-based high-energy x-ray diffraction (XRD). Compositional evolution of the non-classically formed γ’ precipitates was determined by 3DAP and Langer, Bar-on and Miller (LBM) method. Besides homogeneous nucleation, the mechanism of heterogeneous γ’ precipitation involving a discontinuous precipitation mechanism, as a function of temperature, was the primary focus of study in case of the Ni-Al-Co …
Date: August 2014
Creator: Rojhirunsakool, Tanaporn
System: The UNT Digital Library

High Temperature Sliding Wear Behavior and Mechanisms of Cold-Sprayed Ti and Ti-TiC Composites

Ti and Ti-based alloys are used in many aerospace and automotive components due to their high strength-to-weight ratio and corrosion resistance. However, room and elevated temperature wear resistance remain an issue, thus requiring some form of secondary hard phase, e.g., refractory carbides and oxides, as well as solid lubrication to mitigate wear. In this study, Ti-TiC (14, 24 and 35 vol% TiC) composite coatings were deposited on mild steel substrates using cold spray with comparisons made to baseline cold-sprayed Ti. The dry sliding friction and wear behavior were studied from 25°C to 575°C and during thermal cycling in this temperature range. While the room temperature friction coefficient of all the coatings remained relatively constant at ~0.5, the wear rate continually decreased from ~1x10-3 to ~2x10-5 mm3/N-m with increasing the TiC loading. Raman spectroscopy measurements determined that the same TiO2 tribochemical phases (rutile and anatase) were present on the room temperature sliding wear surfaces, thus responsible for similar friction coefficients. With increasing sliding temperatures to 575°C, the Ti-35%TiC composite coating exhibited the best overall tribological behavior, i.e., the friction coefficient decreased to ~0.3 along with a negative wear rate of -6.6x10-5 mm3/N-m (material gain on the wear track was recorded due …
Date: August 2020
Creator: Koricherla, Manindra Varma
System: The UNT Digital Library