Nano-Manufacturing of Catalytic Amorphous Alloys

Access: Use of this item is restricted to the UNT Community
In this dissertation, nano-manufacturing of amorphous alloys for electro-catalytic applications is reported and the role of chemistry and active surface area on catalytic behavior is discussed. The catalytic activity of recently developed platinum and palladium-based metallic glasses was studied using cyclic voltammetry and localized electrochemical techniques. The synergistic effect between platinum and palladium was shown for amorphous alloys containing both these elements. The mechanism for superior catalytic behavior was investigated through electronic structure and surface chemical state of the alloys. A correlation between the work function and catalytic performance of the amorphous alloys with widely varying chemistries was established. To address the high cost associated with the noble-metal containing catalysts, the performance of non-noble Ni-P amorphous catalyst was evaluated for electro-catalysis. A facile pulsed electrodeposition approach was used for the nano-manufacturing of these amorphous catalysts. This nano-manufacturing route allowed the synthesis of fully amorphous nano-wires at room temperature for alloys with little or no noble-metal content. A wide range of nano-wires with varying aspect ratios from 25 to 120 was synthesized using commercially obtained anodic aluminum oxide (AAO) nano-molds. Cyclic voltammetry and chrono-amperometry demonstrated superior performance in terms of electrocatalytic activity and stability of the metallic glass nano-wires towards electro-oxidation …
Date: December 2019
Creator: Hasannaeimi, Vahid
System: The UNT Digital Library

Carbon Nanotubes and Molybdenum Disulfide Protected Electrodes for High Performance Lithium-Sulfur Battery Applications

Access: Use of this item is restricted to the UNT Community
Lithium-sulfur (Li-S) batteries are faced with practical drawbacks of poor cycle life and low charge efficiency which hinder their advancements. Those drawbacks are primarily caused by the intrinsic issues of the cathodes (sulfur) and the anodes (Li metal). In attempt to resolve the issues found on the cathodes, this work discusses the method to prepare a binder-free three-dimensional carbon nanotubes-sulfur (3D CNTs-S) composite cathode by a facile and a scalable approach. Here, the 3D structure of CNTs serves as a conducting network to accommodate high loading amounts of active sulfur material. The efficient electron pathway and the short Li ions (Li+) diffusion length provided by the 3D CNTs offset the insulating properties of sulfur. As a result, high areal and specific capacities of 8.8 mAh cm−2 and 1068 mAh g−1, respectively, with the sulfur loading of 8.33 mg cm−2 are demonstrated; furthermore, the cells operated at a current density of 1.4 mA cm−2 (0.1 C) for up to 150 cycles. To address the issues existing on the anode part of Li-S batteries, this work also covers the novel approach to protect a Li metal anode with a thin layer of two-dimensional molybdenum disulfide (MoS2). With the protective layer of MoS2 …
Date: August 2019
Creator: Cha, Eunho
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

Extrinsic Doping of Few Layered Tungsten Disulfide Films by Pulsed Laser Deposition

Access: Use of this item is restricted to the UNT Community
This dissertation tested the hypothesis that pulsed laser deposition (PLD) could be used to create targeted dopant profiles in few layered WS2 films based on congruent evaporation of the target. At the growth temperatures used, 3D Volmer-Weber growth was observed. Increased energy transfer from the PLD plume to the growing films degraded stoichiometry (desorption of sulfur) and mobility. Sulfur vacancies act as donors and produce intrinsic n-type conductivity. Post deposition annealing significantly improved the crystallinity, which was accompanied by a mobility increase from 6.5 to 19.5 cm2/Vs. Preparation conditions that resulted in excess sulfur, possibly in the form of interstitials, resulted in p-type conductivity. Current-voltage studies indicated that Ohmic contacts were governed by surface properties and tunneling. Extrinsic p-type doping of few layered WS2 films with Nb via pulsed laser deposition using ablation targets fabricated from WS2, S and Nb powders is demonstrated. The undoped controls were n-type, and exhibited a Hall mobility of 0.4 cm2/Vs. Films doped at 0.5 and 1.1 atomic percentages niobium were p-type, and characterized by Fermi levels at 0.31 eV and 0.18 eV from the valence band edge. That is, the Fermi level moved closer to the valence band edge with increased doping. With increased …
Date: August 2019
Creator: Rathod, Urmilaben Pradipsinh P
System: The UNT Digital Library

Phase Transformation and Elastic Constants in Binary Titanium Alloys: An Atomistic Study

Access: Use of this item is restricted to the UNT Community
The current understanding of the mechanical properties and deformation behavior of some individual phases in titanium alloys is limited due to the fine scale at which these phases precipitate within the β-phase matrix. The α and ω phases represent the most widely observed phases in titanium alloys depending on the alloy composition and also the heat treatment procedure adopted during processing. The possibility of precipitating ω-phase depends on the content of the β-stabilizers within the system. Although a significant compositional partitioning occurs within ω-phase upon aging treatment, the knowledge of ω-phase mechanical properties as a function of composition is very limited. The initial part of the current work focuses on the effect of common β-stabilizers elements on the phase stability and mechanical properties of the ω-phase using first-principles calculations. A relation between the bonding nature, the phase stability, and elastic properties was proposed. Thereafter αʺ martensitic phase was investigated in Ti-Nb and Ti-Nb-O alloys. The phase stability and martensitic start temperature of αʺ-phase was studied as a function of Nb and oxygen content. Also, the effect of the lattice shear distortion induced by oxygen atom on stabilizing β-phase was investigated. Subsequently the effect of the β-stabilizers' elements on stacking faults …
Date: August 2019
Creator: Salloom, Riyadh Farooq
System: The UNT Digital Library

Phase Transformations in Refractory High Entropy Alloys

Access: Use of this item is restricted to the UNT Community
High entropy alloys (HEAs) based on refractory elements have shown a great potential for high temperature structural applications. In particular, the ones containing Al, exhibits a microstructure similar to the γ-γ' in Ni-based superalloys. While these alloys exhibit impressive strengths at room temperature (RT) and at elevated temperatures, the continuous B2 matrix in these alloys is likely to be responsible for their brittle behavior at RT. Phase stability of five such alloys are studied by thermo-mechanical treatments and characterization techniques using scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Two of these alloys showed an inverted microstructure, where the disordered BCC phase becomes continuous, and therefore, they were characterized in detail using SEM, TEM, atom probe tomography (APT) and synchrotron x-ray diffraction experiments. The phenomenon of phase inversion lead to a better combination of strength and ductility as compared to the non-inverted microstructure.To enhance the stability of B2 intermetallic phase which provides the strength when present in a BCC matrix, multicomponent B2 phase compositions stable at 1000°C in some of the above studied alloys, were melted separately. The aim was to establish a single phase B2 at 1000°C and understand the mechanical behavior of these single-phase multicomponent B2 intermetallic …
Date: August 2019
Creator: Soni, Vishal
System: The UNT Digital Library

Understanding the Micromechanism of Cyclic Loading Behavior of Ultrafine Grained Alloys

Access: Use of this item is restricted to the UNT Community
In the current study, we have investigated the cyclic loading behavior of conventional as well as novel alloy system exhibiting fine and ultrafine-grained structure. While in case of conventional alloy systems (here aluminum alloy AA5024), the effect of three different grain sizes was investigated. Improvement in fatigue properties was observed with decreasing grain size. The unique microstructure produced via Friction stir processing was responsible for the improved fatigue response. Additionally, microstructures consisting of a high fraction of special boundaries within the fine and ultrafine-grained regime were also subjected to cyclic loading. The hierarchical features introduced in the eutectic high entropy alloy deflected the persistent slip bands, responsible for fatigue cracking, thus resulted in delayed crack initiation and improved fatigue life. The selective nature of fatigue was learnt in the fine grain Al0.5CoCrFeNi, where the introduction of hierarchical features did not result in improved fatigue properties. The weak links in the microstructure, while not affecting the tensile properties, got exposed during cyclic loading. Further study on the medium entropy alloy revealed the inherent reason for the improved fatigue properties. The medium entropy alloys utilized the benefit of UFG single-phase FCC matrix. The UFG matrix showed signs of transformation of FCC phase …
Date: August 2019
Creator: Shukla, Shivakant
System: The UNT Digital Library

Bio-Inspired Material Surfaces with Self-cleaning, Micromanipulation and Water Collection

Access: Use of this item is restricted to the UNT Community
Geckos are famous for the skill of switchable adhesion that they use to stick on various surface while keep their fingers super clean. In the dissertation, a unique mechanism was discovered to explain gecko self-cleaning phenomena. Using atomic force microscopy (AFM), we managed to compare the microparticle-substrate adhesion and the microparticle-seta adhesion with a single seta bonded to the AFM cantilever. A dynamic effect was approved that high pulling-off speed could increase the microparticle-substrate adhesion and thus the self-cleaning appears at high moving speed. Based on the self-cleaning theory, a gecko-inspired N-doped graphene surface with switchable adhesion was achieved, which was designed into a bio-inspired micromanipulator with a success rate over 90%. When electrical bias was applied on this biomimetic surface, the charge concentration induced an electrical double layer (ELD) on the convex surfaces, which attracts polar water molecules to form a water bridge on it, significantly enhancing the adhesion on the wrinkled graphene surface, mimicking the capillary force on beetle feet. Therefore, the bio-inspired adhesive surface can be controlled with speed, electrical bias, humidity and different material surfaces. The water attraction phenomenon on the polarized surface was further tested for the potential application of water collection and evaporation in …
Date: May 2019
Creator: Wan, Yiyang
System: The UNT Digital Library
Fabrication of Large-Scale and Thickness-Modulated Two-Dimensional Transition Metal Dichalcogenides [2D TMDs] Nanolayers (open access)

Fabrication of Large-Scale and Thickness-Modulated Two-Dimensional Transition Metal Dichalcogenides [2D TMDs] Nanolayers

This thesis describes the fabrication and characterization of two-dimensional transition dichalcogenides (2D TMDs) nanolayers for various applications in electronic and opto-electronic devices applications. In Chapter 1, crystal and optical structure of TMDs materials are introduced. Many TMDs materials reveal three structure polytypes (1T, 2H, and 3R). The important electronic properties are determined by the crystal structure of TMDs; thus, the information of crystal structure is explained. In addition, the detailed information of photon vibration and optical band gap structure from single-layer to bulk TMDs materials are introduced in this chapter. In Chapter 2, detailed information of physical properties and synthesis techniques for molybdenum disulfide (MoS2), tungsten disulfide (WS2), and molybdenum ditelluride (MoTe2) nanolayers are explained. The three representative crystal structures are trigonal prismatic (hexagonal, H), octahedral (tetragonal, T), and distorted structure (Tʹ). At room temperature, the stable structure of MoS2 and WS2 is semiconducting 2H phase, and MoTe2 can reveal both 2H (semiconducting phase) and 1Tʹ (semi-metallic phase) phases determined by the existence of strains. In addition, the pros and cons of the synthesis techniques for nanolayers are discussed. In Chapter 3, the topic of synthesized large-scale MoS2, WS2, and MoTe2 films is considered. For MoS2 and WS2 films, the …
Date: May 2019
Creator: Park, Juhong
System: The UNT Digital Library

Process-Structure-Property Relationships in Friction Stir Welded Precipitation Strengthened Aluminum Alloys

Access: Use of this item is restricted to the UNT Community
Through a series of carefully designed experiments, characterization and some modeling tools, this work is aimed at studying the role of thermal profiles on different microstructural zones and associated properties like strength and corrosion through a variation of weld parameters, thermal boundary conditions and material temper. Two different alloys belonging to the Al-Cu and Al-Cu-Li system in different temper conditions- peak aged (T8) and annealed (O) were used. A 3D-thermal pseudo mechanical (TPM) model is developed for the FSW process using heat transfer module in COMSOL Multiphysics and is based on a heat source wherein the temperature dependent yield shear stress is used for the heat generation. The precipitation and coarsening model is based on the Kampmann and Wagner theoretical framework and accounts for the competition between the various nucleation sites for both metastable and equilibrium precipitates. The model predicts different precipitate mean radius and volume fraction for the various zones in the friction stir welded material. A model for the yield strength is developed which considers contributions from different strengthening mechanisms. The predictions of the each models have been verified against experimental data and literature. At constant advance per rotation, the peak temperature decreases with a decrease in traverse …
Date: May 2019
Creator: Mondal, Barnali
System: The UNT Digital Library
Design Principles for Metal-Coordinated Frameworks as Electrocatalysts for Energy Storage and Conversion (open access)

Design Principles for Metal-Coordinated Frameworks as Electrocatalysts for Energy Storage and Conversion

In this dissertation, density functional theory calculations are performed to calculate the thermodynamic and electrochemical properties of metal coordinated frameworks for oxygen reduction reaction (ORR) and oxygen evolution reaction (OER). Gibb's free energy, overpotential, charge transfer and ligands effect are evaluated. The charge transfer analysis shows the positive charges on the metal coordinated frameworks play an essential role in improving the electrochemical properties of the metal coordinated frameworks. Based on the calculations, design principles are introduced to rationally design and predict the electrochemical properties of metal coordinated frameworks as efficient catalysts for ORR and OER. An intrinsic descriptor is discovered for the first time, which can be used as a materials parameter for rational design of the metal coordinated frameworks for energy storage and conversion. The success of the design principles provides a better understanding of the mechanism behind ORR and OER and a screening approach for the best catalyst for energy storage and conversion.
Date: December 2018
Creator: Lin, Chun-Yu
System: The UNT Digital Library
Effects of Transition Metal Oxide and Mixed-Network Formers on Structure and Properties of Borosilicate Glasses (open access)

Effects of Transition Metal Oxide and Mixed-Network Formers on Structure and Properties of Borosilicate Glasses

First, the effect of transition metal oxide (e.g., V2O5, Co2O3, etc.) on the physical properties (e.g., density, glass transition temperature (Tg), optical properties and mechanical properties) and chemical durability of a simplified borosilicate nuclear waste glass was investigated. Adding V2O5 in borosilicate nuclear waste glasses decreases the Tg, while increasing the fracture toughness and chemical durability, which benefit the future formulation of nuclear waste glasses. Second, structural study of ZrO2/SiO2 substitution in silicate/borosilicate glasses was systematically conducted by molecular dynamics (MD) simulation and the quantitative structure-property relationships (QSPR) analysis to correlate structural features with measured properties. Third, for bioactive glass formulation, mixed-network former effect of B2O3 and SiO2 on the structure, as well as the physical properties and bioactivity were studied by both experiments and MD simulation. B2O3/SiO2 substitution of 45S5 and 55S5 bioactive glasses increases the glass network connectivity, correlating well with the reduction of bioactivity tested in vitro. Lastly, the effect of optical dopants on the optimum analytical performance on atom probe tomography (APT) analysis of borosilicate glasses was explored. It was found that optical doping could be an effective way to improve data quality for APT analysis with a green laser assisted system, while laser spot size …
Date: December 2018
Creator: Lu, Xiaonan
System: The UNT Digital Library
Friction Stir Welding of Dissimilar Metals (open access)

Friction Stir Welding of Dissimilar Metals

Dissimilar metals joining have been used in many industry fields for various applications due to their technique and beneficial advantages, such as aluminum-steel and magnesium-steel joints for reducing automobile weight, aluminum-copper joint for reducing material cost in electrical components, steel-copper joints for usage in nuclear power plant, etc. The challenges in achieving dissimilar joints are as below. (1) Big difference in physical properties such as melting point and coefficient of thermal expansion led to residual stress and defects. (2) The miscibility issues resulted in either brittle intermetallic compound layer at the welded interface for miscible combinations (such as, aluminum-steel, aluminum-copper, aluminum-titanium, etc.) or no metallurgical bonding for immiscible combinations (such as magnesium-copper, steel-copper, etc.). For metallurgical miscible combinations, brittle intermetallic compounds formed at the welded interface created the crack initiation and propagation path during deformational tests. (3) Stress concentration appeared at the welded interface region during tensile testing due to mismatch in elastic properties of dissimilar materials. In this study, different combinations of dissimilar metals were joined with friction stir welding. Lap welding of 6022-T4 aluminum alloy/galvanized mild steel sheets and 6022-T4 aluminum alloy/DP600 steel sheets were achieved via friction stir scribe technology. The interlocking feature determining the fracture mode …
Date: December 2018
Creator: Wang, Tianhao
System: The UNT Digital Library
Molecular Dynamics Simulations of the Structures and Properties of Aluminosilicate and Borosilicate Glasses (open access)

Molecular Dynamics Simulations of the Structures and Properties of Aluminosilicate and Borosilicate Glasses

Silicate glasses are the most common glass types and have impact on almost every aspect in our lives: from window, containers, to glass fibers for telecommunications. Unlike their crystalline counterparts, glass materials lack long-range order in their atomic arrangement but their structures do possess short and medium range characteristics that play critical roles in their physical and chemical properties. Despite active development of characterization techniques that have contributed to the understanding of glass structures, there remain key challenges in obtaining essential structural features of glasses. Atomistic computer simulations have become an increasingly important method in elucidating the atomic structures and in interpretation and/or prediction of composition-structure-property relationships of complex materials. In this dissertation, classical molecular dynamic (MD) simulations were used to investigate the atomic structures, dynamic and other properties of two important glass systems—aluminosilicate glasses and borosilicate glasses, which are the basis of most industrial and technologically important glasses. Firstly, a comprehensive study of peralkaline Na2O-Al2O3-SiO2 glass with varying Al2O3/SiO2, Na2O/Al2O3, Na2O/SiO2 ratios has been performed to obtain better understanding of the composition–structure–property relationships in this glass system. More than 99% of Al were 4-coordinated in these glasses, validating that Na+ tend to charge balance [AlO4]- network forming units first …
Date: December 2018
Creator: Ren, Mengguo
System: The UNT Digital Library
Laser Surface Modification of AZ31B Mg Alloy Bio-Implant Material (open access)

Laser Surface Modification of AZ31B Mg Alloy Bio-Implant Material

Magnesium and its alloys are considered as the potential biomaterials due to their biocompatibility and biodegradable characteristics but suffer from poor corrosion performance. Various surface modification techniques are employed to improve their corrosion resistance. In present case, laser surface melting was carried out on AZ31B Mg alloy with various laser energy densities using a continuous wave ytterbium laser. Effect of laser treatment on phase and microstructure evolution was evaluated by X ray diffraction and scanning electron microscopy. Multi-physics thermal model predicted time temperature evolution along the depth of the laser treatment zone. Additionally, electrochemical method and bio-immersion test were employed to evaluate the corrosion behavior in simulated body fluid medium. Microstructure revealed grain refinement and even distribution of Mg17Al12 phase along the grain boundary for laser treated samples leading to substantial enhancement in the corrosion resistance of the laser treated samples compared to the untreated alloy. The laser processed samples also possessed a superior wettability in SBF solution than the untreated sample. This was further reflected in enhanced bio-integration behavior of laser processed samples. By changing the parameters of laser processing such as power, scanning speed, and fill spacing, a controllable corrosion resistance and bioactivity/biocompatibility of the implant material was …
Date: August 2018
Creator: Wu, Tso-chang
System: The UNT Digital Library
Alloy Development and High-Energy X-Ray Diffraction Studies of NiTiZr and NiTiHf High Temperature Shape Memory Alloys (open access)

Alloy Development and High-Energy X-Ray Diffraction Studies of NiTiZr and NiTiHf High Temperature Shape Memory Alloys

NiTi-based shape memory alloys (SMAs) offer a good combination of high-strength, ductility, corrosion resistance, and biocompatibility that has served them well and attracted the attention of many researchers and industries. The alloys unique thermo-mechanical ability to recover their initial shape after relatively large deformations by heating or upon unloading due to a characteristic reversible phase transformation makes them useful as damping devices, solid state actuators, couplings, etc. However, there is a need to increase the temperature of the characteristic phase transformation above 150 °C, especially in the aerospace industry where high temperatures are often seen. Prior researchers have shown that adding ternary elements (Pt, Pd, Au, Hf and Zr) to NiTi can increase transformation temperatures but most of these additions are extremely expensive, creating a need to produce cost-effective high temperature shape memory alloys (HTSMAs). Thus, the main objective of this research is to examine the relatively unstudied NiTiZr system for the ability to produce a cost effective and formable HTSMA. Transformation temperatures, precipitation paths, processability, and high-temperature oxidation are examined, specifically using high energy X-ray Diffraction (XRD) measurements, in NiTi-20 at.% Zr. This is followed by an in situ XRD study of the phase growth kinetics of the favorable …
Date: May 2018
Creator: Carl, Matthew A
System: The UNT Digital Library
Investigation into the Semiconducting and Device Properties of MoTe2 and MoS2 Ultra-Thin 2D Materials (open access)

Investigation into the Semiconducting and Device Properties of MoTe2 and MoS2 Ultra-Thin 2D Materials

The push for electronic devices on smaller and smaller scales has driven research in the direction of transition metal dichalcogenides (TMD) as new ultra-thin semiconducting materials. These ‘two-dimensional' (2D) materials are typically on the order of a few nanometers in thickness with a minimum all the way down to monolayer. These materials have several layer-dependent properties such as a transition to direct band gap at single-layer. In addition, their lack of dangling bonding and remarkable response to electric fields makes them promising candidates for future electronic devices. For the purposes of this work, two 2D TMDs were studied, MoS2 and MoTe2. This dissertation comprises of three sections, which report on exploration of charge lifetimes, investigation environmental stability at elevated temperatures in air, and establishing feasibility of UV laser annealing for large area processing of 2D TMDs, providing a necessary knowledge needed for practical use of these 2D TMDs in optoelectronic and electronic devices. (1) A study investigating the layer-dependence on the lifetime of photo-generated electrons in exfoliated 2D MoTe2 was performed. The photo-generated lifetimes of excited electrons were found to be strongly surface dependent, implying recombination events are dominated by Shockley-Read-Hall effects (SRH). Given this, the measured lifetime was shown …
Date: May 2018
Creator: Sirota, Benjamin
System: The UNT Digital Library
Surface Chemistry and Work Function of Irradiated and Nanoscale Thin Films Covered Indium Tin Oxides (open access)

Surface Chemistry and Work Function of Irradiated and Nanoscale Thin Films Covered Indium Tin Oxides

In this study, we used UV-ozone Ar sputtering, X-ray photoelectron and ultra-violet photoelectron spectroscopies and sputtering based depositions of RuO2 and Se nano-layers on indium tin oxides (ITOs). We elucidated the effect of Ar sputtering on the composition and chemistry of Sn rich ITO surface. We demonstrated that while a combination of UV-ozone radiation and Ar sputtering removes most of the hydrocarbons responsible for degrading the work function of ITO, it also removes significant amount of the segregated SN at the ITO surface that's responsible for its reasonable work function of 4.7eV. We also demonstrated for the first time that sputtering cleaning ITO surface leads to the reduction of the charge state of Sn from Sn4+ to Sn2+ that adds to the degradation of the work function. For the nano-layers coverage of ITO studies, we evaluated both RuO2 and Se. For RuO2 coated ITO, XPS showed the formation of a Ru-Sn-O ternary oxide. The RuO2 nano-layer reduced the oxidation state of Sn in the Sn-rich surface of ITO from +4 to +2. The best work function obtained for this system is 4.98eV, raising the effective work function of ITO by more than 0.5 eV. For the Se coated ITO studies, …
Date: May 2018
Creator: Che, Hui
System: The UNT Digital Library
Modeling of High Strain Rate Compression of Austenitic Shape Memory Alloys (open access)

Modeling of High Strain Rate Compression of Austenitic Shape Memory Alloys

Shape memory alloys (SMAs) exhibit the ability to absorb large dynamic loads and, therefore, are excellent candidates for structural components where impact loading is expected. Compared to the large amount of research on the shape memory effect and/or pseudoelasticity of polycrystalline SMAs under quasi-static loading conditions, studies on dynamic loading are limited. Experimental research shows an apparent difference between the quasi-static and high strain rate deformation of SMAs. Research reveals that the martensitic phase transformation is strain rate sensitive. The mechanism for the martensitic phase transformation in SMAs during high strain rate deformation is still unclear. Many of the existing high strain rate models assume that the latent heat generated during deformation contributes to the change in the stress-strain behavior during dynamic loading, which is insufficient to explain the large stress observed during phase transformation under high strain rate deformation. Meanwhile, the relationship between the phase front velocity and strain rate has been studied. In this dissertation, a new resistance to phase transformation during high strain rate deformation is discussed and the relationship between the driving force for phase transformation and phase front velocity is established. With consideration of the newly defined resistance to phase transformation, a new model for …
Date: December 2017
Creator: Yu, Hao
System: The UNT Digital Library
Molecular Dynamics Simulations of the Structure and Properties of Boron Containing Oxide Glasses: Empirical Potential Development and Applications (open access)

Molecular Dynamics Simulations of the Structure and Properties of Boron Containing Oxide Glasses: Empirical Potential Development and Applications

Potential parameters that can handle multi-component oxide glass systems especially boron oxide are very limited in literature. One of the main goals of my dissertation is to develop empirical potentials to simulate multi-component oxide glass systems with boron oxide. Two approaches, both by introducing the composition dependent parameter feature, were taken and both led to successful potentials for boron containing glass systems after extensive testing and fitting. Both potential sets can produce reasonable glass structures of the multi-component oxide glass systems, with structure and properties in good agreement with experimental data. Furthermore, we have tested the simulation settings such as system size and cooling rate effects on the results of structures and properties of MD simulated borosilicate glasses. It was found that increase four-coordinated boron with decreasing cooling rate and system size above 1000 atoms is necessary to produce converged structure. Another application of the potentials is to simulate a six-component nuclear waste glass, international simple glass (ISG), which was for first time simulated using the newly developed parameters. Structural features obtained from simulations agree well with the experimental results. In addition, two series of sodium borosilicate and boroaluminosilicate glasses were simulated with the two sets of potentials to compare …
Date: December 2017
Creator: Deng, Lu
System: The UNT Digital Library
Non-Isothermal Laser Treatment of Fe-Si-B Metallic Glass (open access)

Non-Isothermal Laser Treatment of Fe-Si-B Metallic Glass

Metallic glasses possess attractive properties, such as high strength, good corrosion resistance, and superior soft magnetic performance. They also serve as precursors for synthesizing nanocrystalline materials. In addition, a new class of composites having crystalline phases embedded in amorphous matrix is evolving based on selective crystallization of metallic glasses. Therefore, crystallization of metallic glasses and its effects on properties has been a subject of interest. Previous investigations from our research group related to laser assisted crystallization of Fe-Si-B metallic glass (an excellent soft magnetic material by itself) showed a further improvement in soft magnetic performance. However, a fundamental understanding of crystallization and mechanical performance of laser treated metallic glass was essential from application point of view. In light of this, the current work employed an integrated experimental and computational approach to understand crystallization and its effects on tensile behavior of laser treated Fe-Si-B metallic glass. The time temperature cycles during laser treatments were predicted using a finite element thermal model. Structural changes in laser treated Fe-Si-B metallic glass including crystallization and phase evolution were investigated with the aid of X-ray diffraction, differential scanning calorimetry, resistivity measurements, and transmission electron microscopy. The mechanical behavior was evaluated by uniaxial tensile tests with …
Date: December 2017
Creator: Joshi, Sameehan Shrikant
System: The UNT Digital Library
Surface Degradation Behavior of Bulk Metallic Glasses and High Entropy Alloys (open access)

Surface Degradation Behavior of Bulk Metallic Glasses and High Entropy Alloys

In this study, the surface degradation behavior was studied for typical examples from bulk metallic glasses (BMGs), metallic glass composites (MGCs) and high entropy alloys (HEAs) alloy systems that are of scientific and commercial interest. The corrosion and wear behavior of two Zr-based bulk metallic glasses, Zr41.2Cu12.5Ni10Ti13.8Be22.5 and Zr57Cu15.4Ni12.6Al10Nb5, were evaluated in as-cast and thermally relaxed states. Significant improvement in corrosion rate, wear behavior, and friction coefficient was seen for both the alloys after thermal relaxation. Fully amorphous structure was retained with thermal relaxation below the glass transition temperature. This improvement in surface properties was explained by annihilation of free volume, the atomic scale defects in amorphous metals resulting from kinetic freezing. Recently developed MGCs, with in situ crystalline ductile phase, demonstrate a combination of mechanical properties and fracture behavior unseen in known structural metals. The composites showed higher wear rates but lower coefficient of friction compared to monolithic amorphous glasses. No tribolayer formation was seen for the composites in sharp contrast to that of the monolithic metallic glasses. Corrosion was evaluated by open circuit potential (OCP) analysis and potentiodynamic polarization. Site-specific corrosion behavior was studied by scanning vibration electrode technique (SVET) to identify formation of galvanic couples. Scanning kelvin …
Date: December 2017
Creator: Ayyagari, Venkata A
System: The UNT Digital Library
Three-Dimensional Carbon Nanostructure and Molybdenum Disulfide (MoS2) for High Performance Electrochemical Energy Storage Devices (open access)

Three-Dimensional Carbon Nanostructure and Molybdenum Disulfide (MoS2) for High Performance Electrochemical Energy Storage Devices

My work presents a novel approach to fabricate binder free three-dimensional carbon nanotubes/sulfur (3DCNTs/S) hybrid composite by a facile and scalable method increasing the loading amount from 1.86 to 8.33 mg/cm2 highest reported to date with excellent electrochemical performance exhibiting maximum specific energy of ~1233Wh/kg and specific power of ~476W/kg, with respect to the mass of the cathode. Such an excellent performance is attributed to the fact that 3DCNTs offers higher loading amount of sulfur, and confine polysulfide within the structure. In second part of the thesis, molybdenum disulfide (MoS2) is typically studied for three electrochemical energy storage devices including supercapacitors, Li-ion batteries, and hybrid Li-ion capacitors. The intrinsic sheet like morphology of MoS2 provides high surface area for double layer charge storage and a layered structure for efficient intercalation of H+/ Li+ ions. My work demonstrates the electrochemical analysis of MoS2 grown on different substrates including copper (conducting), and carbon nanotubes. MoS2 film on copper was investigated as a supercapacitor electrode in three electrode system exhibiting excellent volumetric capacitance of ~330F/cm3 along with high volumetric power and energy density in the range of 40-80 W/cm3 and 1.6-2.4 mWh/cm3, respectively. Furthermore, we have developed novel binder-free 3DCNTs/ MoS2 as an …
Date: December 2017
Creator: Patel, Mumukshu D.
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