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 Department: Department of Materials Science and Engineering
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Microstructure for Enhanced Plasticity and Toughness

Microstructure for Enhanced Plasticity and Toughness

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Date: August 2016
Creator: Das, Shamiparna
Description: Magnesium is the lightest metal with a very high specific strength. However, its practical applicability is limited by its toughness and reliability. Mg, being HCP has low ductility. This makes the improvement of toughness a grand challenge in Mg alloys. Friction stir processing (FSP) is a thermomechanical technique used to effect microstructural modification. Here, FSP was utilized to affect the toughness of WE43 sheets through microstructural modification. Room temperature Kahn-type tests were conducted to measure the toughness of WE43 sheets. Microscopic techniques (SEM, TEM) was utilized to study the effect of various microstructural factors like grain size, texture, constituent particles, precipitates on crack initiation and propagation. Tensile properties were evaluated by mini-tensile tests. Crack growth in WE43 sheets was also affected by mechanics and digital image correlation (DIC) was utilized to study the plastic zone size. The underlying mechanisms affecting toughness of these sheets were understood which will help in formulating ways in improving it. WE43 nanocomposites were fabricated via FSP. Uniform distribution of reinforcements was obtained in the composites. Improved mechanical properties like that of enhanced strength, increased hardness and stiffness were obtained. But contrary to other metal matrix composites which show reduction in ductility with incorporation of ceramic ...
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Workfunction tuning of AZO Films Through Surface Modification for Anode Application in OLEDs.

Workfunction tuning of AZO Films Through Surface Modification for Anode Application in OLEDs.

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Date: August 2016
Creator: Jha, Jitendra
Description: Widespread use of organic light emitting diodes (OLEDs) in solid state lighting and display technologies require efficiency and lifetime improvements, as well as cost reductions, inclusive of the transparent conducting oxide (TCO). Indium tin oxide (ITO) is the standard TCO anode in OLEDs, but indium is expensive and the Earth's reserve of this element is limited. Zinc oxide (ZnO) and its variants such as aluminum-doped ZnO (AZO) exhibit comparable electrical conductivity and transmissivity to ITO, and are of interest for TCO applications. However, the workfunction of ZnO and AZO is smaller compared to ITO. The smaller workfunction of AZO results in a higher hole injection barrier at the anode/organic interface, and methods of tuning its workfunction are required. This dissertation tested the hypothesis that workfunction tuning of AZO films could be achieved by surface modification with electronegative oxygen and fluorine plasmas, or, via use of nanoscale transition metal oxide layers (MoOx, VOx and WOx). Extensive UPS, XPS and optical spectroscopy studies indicate that O2 and CFx plasma treatment results in an electronegative surface, surface charge redistribution, and a surface dipole moment which reinforces the original surface dipole leading to workfunction increases. Donor-like gap states associated with partially occupied d-bands due ...
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Friction Stir Welding of Precipitation Strengthened Aluminum 7449 Alloys

Friction Stir Welding of Precipitation Strengthened Aluminum 7449 Alloys

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Date: August 2016
Creator: Martinez, Nelson Y
Description: 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 ...
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In Vitro Behavior of AZ31B Mg-Hydroxyapatite Metallic Matrix Composite Surface Fabricated via Friction Stir Processing

In Vitro Behavior of AZ31B Mg-Hydroxyapatite Metallic Matrix Composite Surface Fabricated via Friction Stir Processing

Date: August 2016
Creator: Ho, Yee Hsien
Description: Magnesium and its alloys have been considered for load-bearing implant materials due to their similar mechanical properties to the natural bone, excellent biocompatibility, good bioactivity, and biodegradation. Nevertheless, the uncontrollable corrosion rate in biological environment restrains their application. Hydroxyapatite (HA, Ca10(PO4)6(OH)2) is a widely used bio-ceramic which has bone-like mineral structure for bone fixation. Poor fracture toughness of HA makes it not suitable for load-bearing application as a bulk. Thus, HA is introduced into metallic surface in various forms for improving biocompatibility. Recently friction stir processing (FSP) has emerged as a surface modification tool for surface/substrate grain refinement and homogenization of microstructure in biomaterial. In the pressent efforts, Mg-nHA composite surface on with 5-20 wt% HA on Mg substrate were fabricated by FSP for biodegradation and bioactivity study. The results of electrochemical measurement indicated that lower amount (~5% wt%) of Ca in Mg matrix can enhance surface localized corrosion resistance. The effects of microstructure,the presence of HA particle and Mg-Ca intermetallic phase precipitates on in vitro behavior of Mg alloy were investigated by TEM, SEM, EDX,XRD ,and XPS. The detailed observations will be discussed during presentation.
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Compostable Soy-Based Polyurethane Foam with Kenaf Core Modifiers

Compostable Soy-Based Polyurethane Foam with Kenaf Core Modifiers

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Date: August 2016
Creator: Hoyt, Zachary
Description: 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 ...
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Friction Stir Welding of High Strength Precipitation Strengthened Aluminum Alloys

Friction Stir Welding of High Strength Precipitation Strengthened Aluminum Alloys

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Date: August 2016
Creator: Sidhar, Harpreet
Description: 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 ...
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Influence of High Strain Rate Compression on Microstructure and Phase Transformation of NiTi Shape Memory Alloys

Influence of High Strain Rate Compression on Microstructure and Phase Transformation of NiTi Shape Memory Alloys

Date: May 2016
Creator: Qiu, Ying
Description: Since NiTi shape memory alloy (SMA) was discovered in the early 1960s, great progress has been made in understanding the properties and mechanisms of NiTi SMA and in developing associated products. For several decades, most of the scientific research and industrial interests on NiTi SMA has focused on its superelastic applications in the biomedical field and shape memory based “smart” devices, which involves the low strain rate (around 0.001 s^-1) response of NiTi SMA. Due to either stress-induced martensite phase transformation or stress induced martensite variant reorientation under the applied load, NiTi SMA has exhibited a high damping capacity in both austenitic and martensitic phase. Recently, there has been an increasing interest in exploitation of the high damping capacity of NiTi SMA to develop high strain rate related applications such as seismic damping elements and energy absorbing devices. However, a systematic study on the influence of strain, strain rate and temperature on the mechanical properties, phase transformation, microstructure and crystal structure is still limited, which leads to the difficulties in the design of products being subjected to high strain rate loading conditions. The four main objectives of the current research are: (1) achieve the single loading and the control of ...
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Fatigue Behavior of A356 Aluminum Alloy

Fatigue Behavior of A356 Aluminum Alloy

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Date: May 2016
Creator: Nelaturu, Phalgun
Description: Metal fatigue is a recurring problem for metallurgists and materials engineers, especially in structural applications. It has been responsible for many disastrous accidents and tragedies in history. Understanding the micro-mechanisms during cyclic deformation and combating fatigue failure has remained a grand challenge. Environmental effects, like temperature or a corrosive medium, further worsen and complicate the problem. Ultimate design against fatigue must come from a materials perspective with a fundamental understanding of the interaction of microstructural features with dislocations, under the influence of stress, temperature, and other factors. This research endeavors to contribute to the current understanding of the fatigue failure mechanisms. Cast aluminum alloys are susceptible to fatigue failure due to the presence of defects in the microstructure like casting porosities, non-metallic inclusions, non-uniform distribution of secondary phases, etc. Friction stir processing (FSP), an emerging solid state processing technique, is an effective tool to refine and homogenize the cast microstructure of an alloy. In this work, the effect of FSP on the microstructure of an A356 cast aluminum alloy, and the resulting effect on its tensile and fatigue behavior have been studied. The main focus is on crack initiation and propagation mechanisms, and how stage I and stage II cracks ...
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Stable Nanocrystalline Au Film Structures for Sliding Electrical Contacts

Stable Nanocrystalline Au Film Structures for Sliding Electrical Contacts

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Date: May 2016
Creator: Mogonye, Jon-Erik
Description: Hard gold thin films and coatings are widely used in electronics as an effective material to reduce the friction and wear of relatively less expensive electrically conductive materials while simultaneously seeking to provide oxidation resistance and stable sliding electrical contact resistance (ECR). The main focus of this dissertation was to synthesize nanocrystalline Au films with grain structures capable of remaining stable during thermal exposure and under sliding electrical contact stress and the passing of electrical current. Here we have utilized a physical vapor deposition (PVD) technique, electron beam evaporation, to synthesize Au films modified by ion implantation and codeposited ZnO hardened Au nanocomposites. Simultaneous friction and ECR experiments of low fluence (< 1x10^17 cm^-2) He and Ar ion implanted Au films showed reduction in friction coefficients from ~1.5 to ~0.5 and specific wear rates from ~4x10^-3 to ~6x10^-5 mm^3/N·m versus as-deposited Au films without significant change in sliding ECR (~16 mΩ). Subsurface microstructural changes of He implanted films due to tribological stress were analyzed via site-specific cross-sectional transmission electron microscopy (TEM) and revealed the formation of nanocrystalline grains for low energy (22.5 keV) implantation conditions as well as the growth and redistribution of cavities. Nanoindentation hardness results revealed an increase ...
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Microstructural Phase Evolution In Laser Deposited Compositionally Graded Titanium-Chromium Alloys

Microstructural Phase Evolution In Laser Deposited Compositionally Graded Titanium-Chromium Alloys

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Date: May 2016
Creator: Thomas, Jonova
Description: A compositionally graded Ti-xCr (10≤x≤30 wt%) alloy has been fabricated using Laser Engineered Net Shaping (LENSTM) to study the microstructural phase evolution along a compositional gradient in both as-deposited and heat treated conditions (1000°C followed by furnace cooling or air cooling). The alloys were characterized by SEM BSE imaging, XRD, EBSD, TEM and micro-hardness measurements to determine processing-structure-property relations. For the as-deposited alloy, α-Ti, β-Ti, and TiCr2 (C15 Laves) phases exist in varying phase fractions, which were influential in determining hardness values. With the furnace cooled alloy, there was more homogeneous nucleation of α phase throughout the sample with a larger phase fraction of TiCr2 resulting in increased hardness values. When compared to the air cooled alloy, there was absence of wide scale nucleation of α phase and formation of ω phase within the β phase due to the quicker cooling from elevated temperature. At lower concentrations of Cr, the kinetics resulted in a diffusionless phase transformation of ω phase with increased hardness and a lower phase fraction of TiCr2. In contrast at higher Cr concentrations, α phase separation reaction occurs where the β phase is spinodally decomposed to Cr solute-lean β1 and solute-rich β2 resulting in reduced hardness.
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Reactions and Interfacial Behaviors of the Water–Amorphous Silica System from Classical and Ab Initio Molecular Dynamics Simulations

Reactions and Interfacial Behaviors of the Water–Amorphous Silica System from Classical and Ab Initio Molecular Dynamics Simulations

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Date: May 2016
Creator: Rimsza, Jessica M
Description: Due to the wide application of silica based systems ranging from microelectronics to nuclear waste disposal, detailed knowledge of water-silica interactions plays an important role in understanding fundamental processes, such as glass corrosion and the long term reliability of devices. In this dissertation, atomistic computer simulation methods have been used to explore and identify the mechanisms of water-silica reactions and the detailed processes that control the properties of the water-silica interfaces due to their ability to provide atomic level details of the structure and reaction pathways. The main challenges of the amorphous nature of the silica based systems and nano-porosity of the structures were overcome by a combination of simulation methodologies based on classical molecular dynamics (MD) simulations with Reactive Force Field (ReaxFF) and density functional theory (DFT) based ab initio MD simulations. Through the development of nanoporous amorphous silica structure models, the interactions between water and the complex unhydroxylated internal surfaces identified the unusual stability of strained siloxane bonds in high energy ring structure defects, as well as the hydroxylation reaction kinetics, which suggests the difficulty in using DFT methods to simulate Si-O bond breakage with reasonable efficiency. Another important problem addressed is the development of silica gel structures ...
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Enhancement of Light Emission from Metal Nanoparticles Embedded Graphene Oxide

Enhancement of Light Emission from Metal Nanoparticles Embedded Graphene Oxide

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Date: May 2016
Creator: Karna, Sanjay K
Description: A fully oxidized state of graphene behaves as a pure insulating while a pristine graphene behaves as a pure conducting. The in-between oxide state in graphene which is the controlled state of oxide behaves as a semiconducting. This is the key condition for tuning optical band gap for the better light emitting property. The controlling method of oxide in graphene structure is known as reduction which is the mixed state of sp2 and sp3 hybrid state in graphene structure. sp2 hybridized domains correspond to pure carbon-carbon bond i.e. pristine graphene while sp3 hybridized domains correspond to the oxide bond with carbon i.e. defect in graphene structure. This is the uniqueness of the graphene-base material. Graphene is a gapless material i.e. having no bandgap energy and this property prevents it from switching device applications and also from the optoelectronic devices applications. The main challenge for this material is to tune as a semiconducting which can open the optical characteristics and emit light of desired color. There may be several possibilities for the modification of graphene-base material that can tune a band gap. One way is to find semiconducting property by doping the defects into pristine graphene structure. Other way is oxides ...
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Thermomechanical Processing, Additive Manufacturing and Alloy Design of High Strength Mg Alloys

Thermomechanical Processing, Additive Manufacturing and Alloy Design of High Strength Mg Alloys

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Date: May 2016
Creator: Palanivel, Sivanesh
Description: The recent emphasis on magnesium alloys can be appreciated by following the research push from several agencies, universities and editorial efforts. With a density equal to two-thirds of Al and one-thirds of steel, Mg provides the best opportunity for lightweighting of metallic components. However, one key bottleneck restricting its insertion into industrial applications is low strength values. In this respect, Mg-Y-Nd alloys have been promising due to their ability to form strengthening precipitates on the prismatic plane. However, if the strength is compared to Al alloys, these alloys are not attractive. The primary reason for low structural performance in Mg is related to low alloying and microstructural efficiency. In this dissertation, these terminologies are discussed in detail. A simple calculation showed that the microstructural efficiency in Mg-4Y-3Nd alloy is 30% of its maximum potential. Guided by the definitions of alloying and microstructural efficiency, the two prime objectives of this thesis were to: (i) to use thermomechanical processing routes to tailor the microstructure and achieve high strength in an Mg-4Y-3Nd alloy, and (ii) optimize the alloy chemistry of the Mg-rare earth alloy and design a novel rare—earth free Mg alloy by Calphad approach to achieve a strength of 500 MPa. Experimental, ...
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Synchrotron Radiation X-Ray Diffraction of Nickel-Titanium Shape Memory Alloy Wires during Mechanical Deformation

Synchrotron Radiation X-Ray Diffraction of Nickel-Titanium Shape Memory Alloy Wires during Mechanical Deformation

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Date: December 2015
Creator: Zhang, Baozhuo
Description: Shape memory alloys (SMAs) are a new generation material which exhibits unique nonlinear deformations due to a phase transformation which allows it to return to its original shape after removal of stress or a change in temperature. It shows a shape memory effect (martensitic condition) and pseudoelasticity (austenitic condition) properties depends on various heat treatment conditions. The reason for these properties depends on phase transformation through temperature changes or applied stress. Many technological applications of austenite SMAs involve cyclical mechanical loading and unloading in order to take advantage of pseudoelasticity, but are limited due to poor fatigue life. In this thesis, I investigated two important mechanical feature to fatigue behavior in pseudoelastic NiTi SMA wires using high energy synchrotron radiation X-ray diffraction (SR-XRD). The first of these involved simple bending and the second of these involved relaxation during compression loading. Differential scanning calorimetry (DSC) was performed to identify the phase transformation temperatures. Scanning electron microscopy (SEM) images were collected for the initial condition of the NiTi SMA wires and during simple bending, SEM revealed that micro-cracks in compression regions of the wire propagate with increasing bend angle, while tensile regions tend to not exhibit crack propagation. SR-XRD patterns were analyzed ...
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Characterization of Ti-6al-4v Produced Via Electron Beam Additive Manufacturing

Characterization of Ti-6al-4v Produced Via Electron Beam Additive Manufacturing

Date: December 2015
Creator: Hayes, Brian J.
Description: In recent years, additive manufacturing (AM) has become an increasingly promising method used for the production of structural metallic components. There are a number of reasons why AM methods are attractive, including the ability to produce complex geometries into a near-net shape and the rapid transition from design to production. Ti-6Al-4V is a titanium alloy frequently used in the aerospace industry which is receiving considerable attention as a good candidate for processing via electron beam additive manufacturing (EBAM). The Sciaky EBAM method combines a high-powered electron beam, weld-wire feedstock, and a large build chamber, enabling the production of large structural components. In order to gain wide acceptance of EBAM of Ti-6Al-4V as a viable manufacturing method, it is important to understand broadly the microstructural features that are present in large-scale depositions, including specifically: the morphology, distribution and texture of the phases present. To achieve such an understanding, stereological methods were used to populate a database quantifying key microstructural features in Ti-6Al-4V including volume fraction of phases, a lath width, colony scale factor, and volume fraction of basket weave type microstructure. Microstructural features unique to AM, such as elongated grains and banded structures, were also characterized. Hardness and tensile testing were ...
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Effect of Alloy Composition, Free Volume and Glass Formability on the Corrosion Behavior of Bulk Metallic Glasses

Effect of Alloy Composition, Free Volume and Glass Formability on the Corrosion Behavior of Bulk Metallic Glasses

Date: December 2015
Creator: Ayyagari, Venkata Aditya
Description: Bulk metallic glasses (BMGs) have received significant research interest due to their completely amorphous structure which results in unique structural and functional properties. Absence of grain boundaries and secondary phases in BMGs results in high corrosion resistance in many different environments. Understanding and tailoring the corrosion behavior can be significant for various structural applications in bulk form as well as coatings. In this study, the corrosion behavior of several Zr-based and Fe-Co based BMGs was evaluated to understand the effect of chemistry as well as quenched in free volume on corrosion behavior and mechanisms. Presence of Nb in Zr-based alloys was found to significantly improve corrosion resistance due to the formation of a stable passive oxide. Relaxed glasses showed lower rates compared to the as-cast alloys. This was attributed to lowering of chemical potential from the reduced fraction of free volume. Potentiodynamic polarization and Electrochemical Impedance Spectroscopy (EIS) techniques helped in quantifying the corrosion rate and polarization resistance. The effect of alloy composition was quantified by extensive surface analysis using Raman spectroscopy, energy dispersive x-ray spectroscopy and auger spectroscopy. Pitting intensity was higher in the as-cast glasses than the relaxed glasses. The electrochemical behavior of a Zr-Ti-Cu-Ni-Be bulk metallic glass ...
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Determining the Emissivity of Roofing Samples: Asphalt, Ceramic and Coated Cedar

Determining the Emissivity of Roofing Samples: Asphalt, Ceramic and Coated Cedar

Date: December 2015
Creator: Adesanya, Oludamilola
Description: The goal is to perform heat measurements examine of selected roofing material samples. Those roofing materials are asphalt shingles, ceramics, and cedar. It’s important to understand the concept of heat transfer, which consists of conduction, convection, and radiation. Research work was reviewed on different infrared devices to see which one would be suitable for conducting my experiment. In this experiment, the main focus was on a specific property of radiation. That property is the emissivity, which is the amount of heat a material is able to radiate compared to a blackbody. An infrared measuring device, such as the infrared camera was used to determine the emissivity of each sample by using a measurement formula consisting of certain equations. These equations account for the emissivity, transmittance of heat through the atmosphere and temperatures of the samples, atmosphere and background. The experiment verifies how reasonable the data is compared to values in the emissivity table. A blackbody method such as electrical black tape was applied to help generate the correct data. With this data obtained, the emissivity was examined to understand what factors and parameters affect this property of the materials. This experiment was conducted using a suitable heat source to heat ...
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Deformation Micro-mechanisms of Simple and Complex Concentrated Fcc Alloys

Deformation Micro-mechanisms of Simple and Complex Concentrated Fcc Alloys

Date: December 2015
Creator: Komarasamy, Mageshwari
Description: The principal objective of this work was to elucidate the effect of microstructural features on the intrinsic dislocation mechanisms in two FCC alloys. First alloy Al0.1CoCrFeNi was from a new class of material known as complex concentrated alloys, particularly high entropy alloys (HEA). The second was a conventional Al-Mg-Sc alloy in ultrafine-grained (UFG) condition. In the case of HEA, the lattice possess significant lattice strain due to the atomic size variation and cohesive energy differences. Moreover, both the lattice friction stress and the Peierls barrier height are significantly larger than the conventional FCC metals and alloys. The experimental evidences, so far, provide a distinctive identity to the nature and motion of dislocations in FCC HEA as compared to the conventional FCC metals and alloys. Hence, the thermally activated dislocation mechanisms and kinetics in HEA has been studied in detail. To achieve the aim of examining the dislocation kinetics, transient tests, both strain rate jump tests and stress relaxation tests, were conducted. Anomalous behavior in dislocation kinetics was observed. Surprisingly, a large rate sensitivity of the flow stress and low activation volume of dislocations were observed, which are unparalleled as compared to conventional CG FCC metals and alloys. The observed trend ...
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First Principles Study of Metastable Beta Titanium Alloys

First Principles Study of Metastable Beta Titanium Alloys

Date: August 2015
Creator: Gupta, Niraj
Description: 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 ...
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Atomistic Simulations of Deformation Mechanisms in Ultra-Light Weight Mg-Li Alloys

Atomistic Simulations of Deformation Mechanisms in Ultra-Light Weight Mg-Li Alloys

Date: May 2015
Creator: Karewar, Shivraj
Description: Mg alloys have spurred a renewed academic and industrial interest because of their ultra-light-weight and high specific strength properties. Hexagonal close packed Mg has low deformability and a high plastic anisotropy between basal and non-basal slip systems at room temperature. Alloying with Li and other elements is believed to counter this deficiency by activating non-basal slip by reducing their nucleation stress. In this work I study how Li addition affects deformation mechanisms in Mg using atomistic simulations. In the first part, I create a reliable and transferable concentration dependent embedded atom method (CD-EAM) potential for my molecular dynamics study of deformation. This potential describes the Mg-Li phase diagram, which accurately describes the phase stability as a function of Li concentration and temperature. Also, it reproduces the heat of mixing, lattice parameters, and bulk moduli of the alloy as a function of Li concentration. Most importantly, our CD-EAM potential reproduces the variation of stacking fault energy for basal, prismatic, and pyramidal slip systems that influences the deformation mechanisms as a function of Li concentration. This success of CD-EAM Mg-Li potential in reproducing different properties, as compared to literature data, shows its reliability and transferability. Next, I use this newly created potential ...
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Plasma Interactions on Organosilicate Glass Dielectric Films and Emerging Amorphous Materials- Approach to Pore Sealing and Chemical Modifications

Plasma Interactions on Organosilicate Glass Dielectric Films and Emerging Amorphous Materials- Approach to Pore Sealing and Chemical Modifications

Date: May 2015
Creator: Kazi, Haseeb
Description: In-situ x-ray photoemission (XPS) and ex-situ FTIR studies of nanoporous organosilicate glass (OSG) films point to the separate roles of radicals vs. VUV photons in the carbon abstraction. The studies indicate that reaction with O2 in presence of VUV photons (~123 nm) result in significant carbon abstraction within the bulk and that the kinetics of this process is diffusion-limited. In contrast, OSG exposed to atomic O (no VUV) results in Si-C bond scission and Si-O bond formation, but this process is self-limiting after formation of ~1 nm thick SiO2 surface layer that inhibits further diffusion. Therefore, the diffusion-dominated kinetics of carbon abstraction observed for OSG exposed to O2 plasma is definitively attributed to the diffusion of O2 down OSG nanopores, reacting at photo-activated sites, rather than to the diffusion of atomic O. Pretreatment of OSG by 900 eV Ar+ ion bombardment also results in formation of 1 nm thick SiO2-like surface overlayer that inhibits O2 diffusion, inhibiting VUV+O2 and O2 plasma-induced reactions, and that the effectiveness of this treatment increases with ion kinetic energy. On the contrary, organosilicate glass (OSG) films with backbone carbon (-Si-R-Si-) exhibit significantly enhanced resistance to carbon loss upon exposure to O2 plasma, radicals and VUV+O2 ...
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Combinatorial Assessment of the Influence of Composition and Exposure Time on the Oxidation Behavior and Concurrent Oxygen-induced Phase Transformations of Binary Ti-x Systems

Combinatorial Assessment of the Influence of Composition and Exposure Time on the Oxidation Behavior and Concurrent Oxygen-induced Phase Transformations of Binary Ti-x Systems

Date: May 2015
Creator: Samimi, Peyman
Description: The relatively low oxidation resistance and subsequent surface embrittlement have often limited the use of titanium alloys in elevated temperature structural applications. Although extensive effort is spent to investigate the high temperature oxidation performance of titanium alloys, the studies are often constrained to complex technical titanium alloys and neither the mechanisms associated with evolution of the oxide scale nor the effect of oxygen ingress on the microstructure of the base metal are well-understood. In addition lack of systematic oxidation studies across a wider domain of the alloy composition has complicated the determination of composition-mechanism-property relationships. Clearly, it would be ideal to assess the influence of composition and exposure time on the oxidation resistance, independent of experimental variabilities regarding time, temperature and atmosphere as the potential source of error. Such studies might also provide a series of metrics (e.g., hardness, scale, etc) that could be interpreted together and related to the alloy composition. In this thesis a novel combinatorial approach was adopted whereby a series of compositionally graded specimens, (Ti-xMo, Ti-xCr, Ti-xAl and Ti-xW) were prepared using Laser Engineered Net Shaping (LENS™) technology and exposed to still-air at 650 °C. A suite of the state-of-the-art characterization techniques were employed to assess ...
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An Assessment of Uncommon Titanium Binary Systems: Ti-Zn, Ti-Cu, and  Ti-Sb

An Assessment of Uncommon Titanium Binary Systems: Ti-Zn, Ti-Cu, and Ti-Sb

Date: May 2015
Creator: Brice, David
Description: The current study focuses on phase stability and evolution in the titanium-zinc titanium-copper and titanium-antimony systems. The study utilized the Laser Engineering Net Shaping (LENS™) processing technique to deposit compositionally graded samples of three binary system in order to allow the assessment of phase stability and evolution as a function of composition and temperature the material is subjected to. Through LENS™ processing it was possible to create graded samples from Ti-xSb (up to 13wt%) and Ti-xCu (up to 16wt%). The LENS™ deposited gradient were solutionized, and step quenched to specific aging temperature, and the resulting microstructures and phase were characterized utilizing XRD, EDS, SEM, FIB and TEM. The Ti-Zn system proved incapable of being LENS™ deposited due to the low vaporization temperature of Zn; however, a novel processing approach was developed to drip liquid Zn onto Ti powder at temperatures above β transus temperature of Ti (882 ◦C) and below the vaporization temperature of Zn (907 ◦C). The product of this processing technique was characterized in a similar way as the graded LENS™ depositions. From measurements performed on Ti-Sb it seems that Sb could be a potential α stabilizer in Ti due to the presence of a mostly homogeneous α ...
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Processing and Characterization of Polycarbonate Foams with Supercritical Co2 and 5-Phenyl-1h-Tetrazole

Processing and Characterization of Polycarbonate Foams with Supercritical Co2 and 5-Phenyl-1h-Tetrazole

Date: May 2015
Creator: Cloarec, Thomas
Description: Since their discovery in the 1930s, polymeric foams have been widely used in the industry for a variety of applications such as acoustical and thermal insulation, filters, absorbents etc. The reason for this ascending trend can be attributed to factors such as cost, ease of processing and a high strength to weight ratio compared to non-foamed polymers. The purpose of this project was to develop an “indestructible” material made of polycarbonate (PC) for industrial applications. Due to the high price of polycarbonate, two foaming methods were investigated to reduce the amount of material used. Samples were foamed physically in supercritical CO2 or chemically with 5-phenyl-1H-tetrazole. After thermal characterization of the foams in differential scanning calorimetry (DSC), we saw that none of the foaming methods had an influence on the glass transition of polycarbonate. Micrographs taken in scanning electron microscopy (SEM) showed that foams obtained in physical and chemical foaming had different structures. Indeed, samples foamed in supercritical CO2 exhibited a microcellular opened-cell structure with a high cell density and a homogeneous cell distribution. On the other hand, samples foamed with 5-phenyl-1H-tetrazole had a macrocellular closed-cell structure with a much smaller cell density and a random cell distribution. Compression testing showed ...
Contributing Partner: UNT Libraries
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