Investigation of Room Temperature Sputtering and Laser Annealing of Chalcogen Rich TMDs for Opto-Electronics

Chalcogen-rich transition-metal dichalcogenide (TMD) magnetron sputtering targets were custom manufactured via ball milling and sintering in the interest of depositing p-type chalcogen-rich films. Room temperature radio frequency (RF) magnetron sputtering produced ultra-thin amorphous precursor of WSx and MoSx (where x is between 2-3) on several different substrates. The influence of working pressure on the MoS3 content of the amorphous films was explored with X-ray photoelectron spectroscopy (XPS), while the physical and chemical effects of sputtering were investigated for the WSx target itself. The amorphous precursor films with higher chalcogenide content were chosen for laser annealing, and their subsequent laser annealing induced phase transformations were investigated for the synthesis of polycrystalline 2H-phase semiconducting thin films. The role of laser fluence and the number of laser pulses during annealing on phase transformation and film mobility was determined from Raman spectroscopy and Hall effect measurement, respectively. Hall effect measurements were used to identify carrier type and track mobility between amorphous precursors and crystalline films. The p-type 2H-TMD films demonstrates the ability to produce a scalable processing criterion for quality ultra-thin TMD films on various substrates and in a method which is also compatible for flexible, stretchable, transparent, and bendable substrates.
Date: August 2022
Creator: Gellerup, Branden Spencer
System: The UNT Digital Library

Scuffing and Wear Prevention in Low Viscosity Hydrocarbon Fuels

To design high pressure fuel system components that resist wear and scuffing failure when operated in low viscosity fuels, a comprehensive study on the tribological performance of various existing coating materials is necessary. This thesis aims to provide the relative performance of a variety of coating materials across different fuel environments by testing them in conditions that model those experienced in fuel pumps. The relative performance of these coatings are then indexed across a variety of material properties, including hardness, elastic modulus, wettability, and the interaction between the surface and the various types of fuel molecules.
Date: August 2022
Creator: Dockins, Maddox Wade
System: The UNT Digital Library
Exploring the Synergistic Effects of MXene-based Nanocomposites for Superlubricity and Friction/Wear Reduction on Rough Steel Surfaces (open access)

Exploring the Synergistic Effects of MXene-based Nanocomposites for Superlubricity and Friction/Wear Reduction on Rough Steel Surfaces

The aim of this thesis is to advance the field of solid lubrication science by developing coatings that provide reliable performance in ambient conditions, work on rough surfaces, and are amenable to industrial size and design complexities. Two different coating systems, Ti3C2Tx-MoS2 and Ti3C2Tx-Graphene Oxide blends, were studied in this work. The Ti3C2Tx-MoS2 nanocomposites were spray-coated onto rough 52100-grade steel surfaces, and their tribological performance was evaluated in a ball-on-disk configuration in a unidirectional sliding mode. The test results indicate that Ti3C2Tx-MoS2 coatings achieved superlubricity, which has not been previously reported for either pristine material under macroscale sliding conditions. The observed synergistic mechanism enabled the superlative performance, which was explained by the in-situ formation of a robust tribolayer responsible for sustained lubricity even at high contact pressures (>1.1 GPa) and sliding speeds (0.1 m/s). Processing, structure, and property correlation studies were conducted to understand the underlying phenomena. Raman spectroscopy, scanning electron microscopy, and transmission electron microscopy were used to reveal the formation of the tribolayer. The Ti3C2Tx-Graphene Oxide blends were also spray-coated onto rough-bearing steel surfaces, and their tribological assessment was carried out in ambient environmental conditions and high contact pressures in a ball-on-disc experimental setup. The coatings led to …
Date: July 2023
Creator: Macknojia, Ali Zayaan
System: The UNT Digital Library

Next Generation Friction Stir Welding Tools for High Temperature Materials

The historical success of friction stir welding (FSW) on materials such as aluminum and magnesium alloys is associated with the absence of melting and solidification during the solid-state process. However, commercial adoption of FSW on steels and other non-ferrous high-strength, high-temperature materials such as nickel-base and titanium-base alloys is limited due to the high costs associated with the process. In this dissertation, the feasibility of using an FSW approach to fabricate certain structural components made of nitrogen containing austenitic stainless steels that go into the vacuum vessel and magnetic systems of tokamak devices was demonstrated. The FSW weldments possessed superior application-specific mechanical and functional properties when compared to fusion weldments reported in the technical literature. However, as stated earlier, the industrial adoption of FSW on high temperature materials such as the ferrous alloys used in the present study is greatly limited due to the high costs associated with the process. The cost is mainly dictated by the high temperature FSW tools used to accomplish the weldments. Commercially available high temperature FSW tools are exorbitantly priced and often have short lifetimes. To overcome the high-cost barrier, we have explored the use of integrated computational materials engineering (ICME) combined with experimental prototyping …
Date: July 2023
Creator: Gaddam, Supreeth
System: The UNT Digital Library
Tribocatalytically-Active Coatings for Enhanced Tribological Performance and Carbon-Based Tribofilm Formation (open access)

Tribocatalytically-Active Coatings for Enhanced Tribological Performance and Carbon-Based Tribofilm Formation

In this study, we investigate the fundamental mechanisms defining the approach for addressing tribological challenges in mechanical systems via the use of the tribocatalytically active coating. The coating is designed using an electrodeposition process and consists of a hard amorphous cobalt-phosphorous matrix with the incorporation of tribocatalytically-active nickel and copper. Our focus is on understanding the effect of the tribocatalytic elements, Cu vs Ni, on the coating's performance in high-contact stress conditions, generating local heating, shear, and compression. By optimizing the relative composition and mechanical characteristics of the coating, we aim to enhance its tribological performance in the presence of a hydrocarbon environment. Through extensive characterization of the wear tracks using SEM/EDS and Raman analyses, we identify the formation of a protective carbon-based tribofilm on the coating's surface during sliding as the key factor behind its excellent performance. Our findings not only contribute to the understanding of material transformations in the contact but also offer a robust and versatile approach to addressing tribological challenges in mechanical systems. The development of this innovative coating opens up new possibilities for promoting the formation of protective tribofilms and improving the performance of mechanical components operating in low-viscosity fuels and synthetic oils.
Date: July 2023
Creator: Al Sulaimi, Rawan
System: The UNT Digital Library

In-situ Electrochemical Surface Engineering in Additively Manufactured CoCrMo for Enhanced Biocompatibility

Laser-based additive manufacturing is inherently associated with extreme, unprecedented, and rapid thermokinetics which impact the microstructural evolution in a built component. Such a unique, near to non-equilibrium microstructure/phase evolution in laser additively manufactured metallic components impact their properties in engineering application. In light of this, the present work investigates the unique microstructural traits as a result of process induced spatial and temporal variation in thermokinetic parameters in laser directed energy deposited CoCrMo biomedical alloy. The influence of such a unique microstructural evolution in laser directed energy deposited CoCrMo on electrochemical response in physiological media was elucidated and compared with a conventionally manufactured, commercially available CoCrMo component. Furthermore, while investigation of the electrochemical response, such a microstructural evolution in laser directed energy deposited CoCrMo led to in-situ surface modification of the built components in physiological media via selective, non-uniform electrochemical etching. Such in-situ surface modification resulted in enhanced biocompatibility in terms of mammalian cell growth, cell-substrate adhesion, blood compatibility, and antibacterial properties indicating improved osteointegration, compared to a conventionally manufactured, commercially available CoCrMo component.
Date: May 2023
Creator: Mazumder, Sangram
System: The UNT Digital Library
Laser Powder Bed Fusion of H13 Tool Steel: Experiments, Process Optimization and Microstructural Characterization (open access)

Laser Powder Bed Fusion of H13 Tool Steel: Experiments, Process Optimization and Microstructural Characterization

This work focused on laser powder bed fusion (LPBF) of H13 tool steel to examine microstructure and melt pool morphology. Experiments were conducted with varying laser power (P) in the range of 90-180 W and scan speed (v) in the range of 500-1000 mm/s. layer thickness (l) and hatch spacing (h) were kept constant. Volumetric energy density (γ) was calculated using the above process parameters. In order to find a relation between the recorded density and top surface roughness with changing process parameters, set of equations were derived using the non-dimensional analysis. For any chosen values of laser power, scan speed, hatch spacing and layer thickness, these equations help to predict top surface roughness and density of LPBF processed H13 tool steel. To confirm the universal relation for these equations, data of In718 and SS316L processed in LPBF was input which gave a R-square of >94% for top surface roughness and >99% for density. A closed box approach, response surface model, was also used to predict the density and surface roughness which allows only in the parametric range. Material microstructures were examined to identify the melting modes such as keyhole, transition and conduction modes. X-ray diffraction data revealed that there …
Date: May 2023
Creator: Channa Reddy, Sumanth Kumar Reddy
System: The UNT Digital Library

Structures of Multicomponent Silicate and Borosilicate Glasses from Molecular Dynamics Simulations: Effects of Iron Redox Ratio and Cation Field Strength

Multicomponent silicate and borosilicate glasses find wide technological applications ranging from optical fibers, biomedicine to nuclear waste disposal. As a common component of earth's mantle and nuclear waste, iron is a frequent encounter in silicate and borosilicate melts and glasses. The redox ratio in glass matrix defined by the ratio of ferrous and ferric ions is dependent on factors such as temperature, pressure, and oxygen fugacity. Understanding their roles on the short- and medium-range structure of these glasses is important in establishing the structure-property relationships which are important for glass composition design but usually difficult to obtain from experimental characterization techniques alone. Classical molecular dynamics simulations were chosen in this dissertation to study iron containing glasses due to challenges in experimental techniques such as NMR spectroscopy originated from the paramagnetic nature of iron. Magnesium is also a common element in the oxide glass compositions and its effect on the structure of boroaluminosilicate glasses were also investigated. Magnesium ion (Mg2+) has relatively higher cation field strength than other modifier cations and its structural role in oxide glasses is still under debate. Therefore, investigating the effects of cation field strength of modifier cations in light of MgO in boroaluminosilicate glasses is also …
Date: May 2023
Creator: Tuheen, Manzila Islam
System: The UNT Digital Library
The Influence of Particle Morphology and Heat Treatment on the Microstructural Evolution of Silver Inks for Additively Manufactured RF Applications: A Comparison between Nanoflake and Reactive Inks (open access)

The Influence of Particle Morphology and Heat Treatment on the Microstructural Evolution of Silver Inks for Additively Manufactured RF Applications: A Comparison between Nanoflake and Reactive Inks

In recent years, advancements in additive manufacturing (AM) technologies have paved the way for 3D-printed flexible hybrid electronics (FHE) and created opportunities for extending these gains to RF applications. However, printed metal interconnects and devices are typically characterized by high porosity and chemical impurities that significantly limit their electrical conductivity and RF performance compared to bulk equivalents. Using direct ink writing (DIW), two silver inks, a nanoflake suspension and a nanoparticle-reactive ink, were investigated to understand the relationship between free interfacial energy, sintering behavior, DC conductivity, and RF loss. The printed silver samples were characterized using scanning electron microscopy, x-ray diffraction, and x-ray photoelectron spectroscopy to monitor microstructural evolution, grain size and orientation, and chemical purity as a function of heat treatment temperature. Three heat treatments were applied to each ink: the manufacturer's recommendation, 225°C for 30 minutes, and 350°C for 30 minutes. Four-wire structures and coplanar waveguides were printed to compare the DC and RF performance up to 18 GHz, respectively. The results show that ink formulations that facilitate larger grains, high density, and good chemical purity have superior RF performance. A low resistivity of 1.4 times bulk Ag, average of 0.8% greater RF loss factor than evaporated Ag, …
Date: May 2023
Creator: Summers, Jason Masao
System: The UNT Digital Library

Small Scale Fracture Mechanisms in Alloys with Varying Microstructural Complexity

Small-scale fracture behavior of four model alloy systems were investigated in the order of increasing microstructural complexity, namely: (i) a Ni-based Bulk Metallic Glass (Ni-BMG) with an isotropic amorphous microstructure; (ii) a single-phase high entropy alloy, HfTaTiVZr, with body centered cubic (BCC) microstructure; (iii) a dual-phase high entropy alloy, AlCoCrFeNi2.1, with eutectic FCC (L12) -BCC (B2) microstructure; and (iv) a Medium-Mn steel with hierarchical microstructure. The micro-mechanical response of these model alloys was investigated using nano-indentation, micro-pillar compression, and micro-cantilever bending. The relaxed Ni-BMG showed 6% higher hardness, 22% higher yield strength, and 26% higher bending strength compared to its as-cast counterpart. Both the as-cast and corresponding relaxed BMGs showed stable notch opening and blunting during micro-cantilever bending tests rather than unstable crack propagation. However, pronounced notch weakening was observed for both the structural states, with the bending strength lower by ~ 25% for the notched samples compared to the un-notched samples. Deformation behavior of HfTaTiVZr was evaluated by micropillar compression and micro-cantilever bending as a function of two different grain orientations, namely [101] and [111]. The [111] oriented micropillars demonstrated higher strength and strain hardening rate compared to [101] oriented micropillars. The [111] oriented micropillars showed transformation induced plasticity …
Date: July 2023
Creator: Jha, Shristy
System: The UNT Digital Library

Switchable and Memorable Adhesion of Gold-Coated Microspheres with Electrochemical Modulation

Switchable adhesives using stimuli-responsive systems have many applications, including transfer printing, climbing robots, and gripping in pick and place processes. Among these adhesives, electroadhesive surface can spontaneously adjust their adhesion in response to an external electric field. However, electroadhesives usually need high voltage (e.g. kV) and the adhesion disappears upon turning off the signal. These limitations make them complicated and costly. In this research, we demonstrated a gold-coated silica microsphere (GCSM) with highly switchable and memorable adhesion triggered by a relatively small voltage (<30 V). In the experiment, a silica microsphere with a diameter of 15 μm was glued to a tipless atomic force microscope (AFM) cantilever. The nanoscale thick gold coating was sprayed on the surface of the microsphere by a sputter coater. AFM was used to explore the tunable adhesion with an external voltage at different relative humidity (RH). The results revealed that when applying a positive electrical bias at high RH, the adhesive force increased dramatically while it decreased to almost zero after applying a negative potential. Even if the bias was turned off, the adhesive force state could still be kept and erased on demand by simply applying a negative voltage. The adhesive force can be …
Date: May 2021
Creator: Wang, Jie (Materials scientist)
System: The UNT Digital Library

Crystallization and Lithium Ion Diffusion Mechanism in the Lithium-Aluminum-Germanium-Phosphate Glass-Ceramic Solid Electrolytes

NASCION-type lithium-aluminum-germanium-phosphate (LAGP) glass-ceramic is one of the most promising solid electrolyte (SEs) material for the next generation Li-ion battery. Based on the crystallization of glass-ceramic material, the two-step heat treatment was designed to control the crystallization of Li-ion conducting crystal in the glass matrix. The results show that the LAGP crystal is preferred to internally crystalize, Tg + 60%∆T is the nucleation temperature that provides the highest ion conductivity. The compositional investigation also found that, pure LAGP crystal phase can be synthesized by lowering the amount of GeO2. To fill gap of atomic structure in LAGP glass-ceramic, molecular dynamic (MD) simulation was used to build the crystal, glass, and interfacial structure LAGP. The aliovalent ion substitution induced an simultaneously redistribution of Li to the 36f interstitial site, and the rapid cooperative motion between the Li-ions at 36f can drop the activation energy of LAGP crystal by decreasing the relaxation energy; furthermore, an energy model was built based on the time-based analysis of Li-ion diffusion to articulate the behavior. The glass and interfacial structure show and accumulation of AlO4, GeO4 and Li at the interface, which explains the Li-trapping on the intergranular glass phase. An in-situ synchrotron X-ray study found …
Date: May 2021
Creator: Kuo, Po Hsuen
System: The UNT Digital Library

Self-Healing Ceramics for High Temperature Application

Ceramics have a wide variety of applications due to their unique properties; however, the low fracture toughness leads the formation and propagation of unpredictable cracks, and reduces their reliability. To solve this problem, self-healing adaptive oxides were developed. The aim of the work is to gain new insights into self-healing mechanisms of ceramics and their application. Binary oxide systems were investigated that are at least partially healed through the extrinsic or intrinsic addition of silver or silver oxide to form ternary oxides (e.g., Nb2O5 + Ag → AgNbO3). Sintered pellets and coatings were tested. For self-healing TBCs, model systems that were studied include YSZ-Al2O3-SiC, YSZ-Al2O3-TiC, YSZ-Al2O3-Nb2O5, and YSZ-Al2O3-Ta2O5. Laser cladded samples and sintered pellets were produced to test. The healing process occurs due to the formation of oxidation products and glassy phases depending on the self-healing mechanism. X-ray diffraction was used to explore phase evolution, chemical compositions, and structural properties of these samples. SEM equipped with EDS was used to investigate the chemical and morphological properties for the cross-sectional area. Pin-on-disc test was applied to test tribology performance for Nb2O5-Ag2O system, and infiltration test was applied to test CMAS-resistance for TBCs at elevated temperature. The improvements in the performance of …
Date: August 2021
Creator: Gu, Jingjing
System: The UNT Digital Library

Synthesis, Phase Development, and the Mechanism for Negative Thermal Expansion in Aluminum Tungstate

An in-depth study of Al2W3O12 negative thermal expansion (NTE) ceramic was performed, focused on synthesis, phase mappings, and the underlying mechanisms shown to be responsible for NTE. Review of the literature has shown inconsistencies in reported values of the dilatometry measured coefficients of thermal expansion, and the temperature for the known monoclinic to orthorhombic phase transition. Two synthesis techniques are introduced: an ionic-liquid non-hydrolytic sol-gel synthesis route; and a low temperature solid state reaction synthesis for Al2W3O12. X-ray diffraction, Raman spectroscopy, and attenuated total reflectance Fourier-transform infrared spectroscopy (ATR-FTIR) were used to verify the techniques. Two differential scanning calorimetry (DSC) experiments (high and low temperature) were performed on the material showing the transition between -5 and -20 °C and no other phase changes until a reported degradation above 1100 °C. Extensive dilatometry on the material led to the discovery of elastic transitions occurring in the polycrystalline sample capable of explaining the inconsistencies in reported dilatometry results. This is further developed into a proposed model defining the regions between these transitions. Each region has a different thermal expansion as well as a direct effect on the reaction of the material upon cooling. This proposed model may allow more consistent reporting of …
Date: May 2020
Creator: Rose, Kyle
System: The UNT Digital Library

Optical Emission Spectroscopy Monitoring Method for Additively Manufactured Iron-Nickel and Other Complex Alloy Samples

The method of optical emission spectroscopy has been used with Fe-Ni and other complex alloys to investigate in-situ compositional control for additive manufacturing. Although additive manufacturing of metallic alloys is an emerging technology, compositional control will be a challenge that needs to be addressed for a multitude of industries going forward for next-gen applications. This current scope of work includes analysis of ionized species generated from laser and metal powder interaction that is inherent to the laser engineered net shaping (LENS) process of additive manufacturing. By quantifying the amount of a given element's presence in the electromagnetic (EM) spectrum, this amount can be compared to the actual amount present in the sample via post-processing and elemental dispersive x-ray (EDX) data analysis. For this work a commercially available linear silicon CCD camera captured metallic ion peaks found within the ultraviolet (UV) region to avoid background contamination from blackbody radiation. Although the additive manufacturing environment can prove difficult to measure in-situ due to time dependent phenomena, extreme temperatures, and defect generation, OEM was able to capture multiple data points over a time series that showed a positive correlation between an element's peak intensity and the amount of that element found in the …
Date: May 2021
Creator: Flannery, David A. (David Andrew)
System: The UNT Digital Library

Defect-Engineered Two-Dimensional Transition Metal Dichalcogenides for High-Efficient Piezoelectric Sensor

Piezoelectricity in two-dimensional (2D) transition metal dichalcogenides (TMDs) has attracted significant attention due to their unique crystal structure and the lack of inversion centers when the bulk TMDs thin down to monolayer. Although the piezoelectricity effect in atomic-thickness TMDs has been demonstrated, they are not scalable. Herein, we demonstrate a piezoelectric effect from large-scale, sputtered MoS2 and WS2 using a robust defect-engineering based on the thermal-solvent annealing and solvent immersion process. This yields a higher piezoelectric output over 20 times after annealing or solvent immersion. Indeed, the piezoelectric responses are strengthened with the increases of defect density. Moreover, the MoS2 or WS2 piezoelectric device array shows an exceptional piezoelectric sensitivity with a high-level uniformity and excellent environmental stability under ambient conditions. A detailed study of the sulfur vacancy-dependent property and its resultant asymmetric structure-induced piezoelectricity is reported. The proposed approach is scalable and can produce advanced materials for flexible piezoelectric devices to be used in emerging bioinspired robotics and biomedical applications.
Date: May 2021
Creator: Kim, Junyoung
System: The UNT Digital Library
Engineering the Uniform Lying Helical Structure in Chiral Nematic Liquid Crystal Phase: From Morphology Transition to Dimension Control (open access)

Engineering the Uniform Lying Helical Structure in Chiral Nematic Liquid Crystal Phase: From Morphology Transition to Dimension Control

Chiral nematic liquid crystals or cholesteric liquid crystals (CLC) can be obtained by adding a chiral dopant into a nematic liquid crystal. Liquid crystal molecules spontaneously rotate along a long axis to form helical structures in CLC system. Both pitch size and orientation of the helical structure is determined by the boundary conditions and can be further tuned by external stimuli. Particularly, the uniform lying helical structure of CLC has attracted intensive attention due to its beam steering and diffraction abilities. Up to now, studies have worked on controlling the in-plane orientation of lying helix through surface rubbing and external stimuli. However, it remains challenging to achieve steady and uniform lying helical structure due to its higher energy, comparing with other helical configurations. Here, by varying the surface anchoring, uniform lying helical structure with long-range order is achieved as thermodynamically stable state without external support. Poly (6-(4-methoxy-azobenzene-4'-oxy) hexyl methacrylate) (PMMAZO), a liquid crystalline polymer, is deposited onto the silicon substrate to fine-tune the surface anchoring. By changing the grafting density of PMMAZO, both pitch size and orientation of lying helical structure are precisely controlled. As the grafting density increases, the enhanced titled deformation of helical structure suppresses the pitch size …
Date: May 2021
Creator: Jia, Zhixuan
System: The UNT Digital Library

Origin of Unusually Large Hall-Petch Strengthening Coefficients in High Entropy Alloys

High entropy alloys (HEAs), also referred to as complex concentrated alloys (CCAs), are a relatively new class of alloys that have gained significant attention since 2010 due to their unique balance of properties that include high strength, ductility and excellent corrosion resistance. HEAs are usually based on five or more elements alloyed in near equimolar concentrations, and exhibit simple microstructures by the formation of solid solution phases instead of complex compounds. HEAs have great potential in the design of new materials; for instance, for lightweight structural applications and elevated temperature applications. The relation between grain size and yield strength has been a topic of significant interest not only to researchers but also for industrial applications. Though some research papers have been published in this area, consensus among them is lacking, as the studies yielded different results. Al atom being a large atom causes significant lattice distortion. This work attempts to study the Hall-Petch relationship for Al0.3CoFeNi and Al0.3CoCrFeNi and to compare the data of friction stress σ0 and Hall-Petch coefficient K with published data. The base alloys for both these alloys are CoFeNi and CoCrFeNi respectively. It was observed by atom probe tomography (APT) that clustering of Al-Ni atoms in …
Date: May 2021
Creator: Jagetia, Abhinav
System: The UNT Digital Library

High Strain Rate Deformation Behavior of Single-Phase and Multi-Phase High Entropy Alloys

Fundamental understanding of high strain rate deformation behavior of materials is critical in designing new alloys for wide-ranging applications including military, automobile, spacecraft, and industrial applications. High entropy alloys, consisting of multiple elements in (near) equimolar proportions, represent a new paradigm in structural alloy design providing ample opportunity for achieving excellent performance in high strain rate applications by proper selection of constituent elements and/or thermomechanical processing. This dissertation is focused on fundamental understanding of high strain-rate deformation behavior of several high entropy alloy systems with widely varying microstructures. Ballistic impact testing of face centered cubic Al0.1CoCrFeNi high entropy alloy showed failure by ductile hole growth. The deformed microstructure showed extensive micro-banding and micro-twinning at low velocities while adiabatic shear bands and dynamic recrystallization were seen at higher velocities. The Al0.7CoCrFeNi and AlCoCrFeNi2.1 eutectic high entropy alloys, with BCC and FCC phases in lamellar morphology, showed failure by discing. A network of cracks coupled with small and inhomogeneous plastic deformation led to the brittle mode of failure in these eutectic alloys. Phase-specific mechanical behavior using small-scale techniques revealed higher strength and strain rate sensitivity for the B2 phase compared to the L12 phase. The interphase boundary demonstrated good stability without any …
Date: May 2021
Creator: Muskeri, Saideep
System: The UNT Digital Library
Structural and Magnetic Properties of Additively Manufactured Hiperco (FeCo-2V) (open access)

Structural and Magnetic Properties of Additively Manufactured Hiperco (FeCo-2V)

The FeCo-V alloy, commercially referred to as Hiperco, is known for its great soft magnetic properties. However, the high cost of production has limited the usage of this alloy to small-scale applications, where the small volume and high magnetic performance are critical. Additive manufacturing (AM) has the potential to solve the production problems that exist in Hiperco manufacturing. The present research has focused on selective laser melting (SLM) based AM processing of Hiperco. The goal was to perform a detailed examination of SLM processed Hiperco and determine how the process parameters affect the microstructure, mechanical and magnetic properties. While a systematic set of SLM process parameters were employed, the results indicate that the energy density was quite similar for this set of process parameters, resulting in similar properties. Overall, the saturation magnetization (Ms) values were very good, but the coercivity (Hc) values were very high, in the case of all as SLM processed conditions. Additionally, a large variation in porosity was observed in the as SLM processed samples, as a function of process parameters. Interestingly, long-term heat-treatments of these samples in an Ar+H2 atmosphere resulted in substantial decreases in the Hc values. These results are presented and discussed.
Date: December 2021
Creator: O'Donnell, Aidan James
System: The UNT Digital Library
Fractography and Mechanical Properties of Laminated Alumina and Yttria Stabilized Zirconia (open access)

Fractography and Mechanical Properties of Laminated Alumina and Yttria Stabilized Zirconia

Yttria stabilized zirconia (YSZ) is a polymorph with possible phase transformation toughening occurring during impact. The fractography and mechanical properties of laminated alumina and YSZ were studied in this thesis. Five sample types were studied in this thesis: (5:5) Al2O3/YSZ (a sequence of 5 alumina tapes stacked on 5 YSZ tapes), (5:5) Al2O3/YSZ (1 wt.% Pure ZrO2), (7:3) Al2O3/YSZ, Al2O3, and YSZ. Scanning electron microscopy (SEM) and X-ray microscopy (XRM) were used to study morphology and crack propagation with three-point tests performed to study the flexural strength. X-ray diffraction (XRD) spectra of all samples pre and post three-point tests were examined to determine if a change in monoclinic zirconia occurred. The combination of SEM and XRM data found microcracks in the YSZ layers of Al2O3/YSZ laminates with none present on YSZ laminates, leading to the conclusion tensile stress was performed on YSZ during sintering with Al2O3. Fracture patterns show a curving of cracks in Al2O3 layers and abrupt, jagged breaks in YSZ layers with crack forking at major YSZ microcrack regions. YSZ laminates were found to have the highest average flexural strength, but a very high standard deviation and low sample count and Al2O3 laminates having the second highest flexural …
Date: December 2021
Creator: Cotton, Shomari Johnny
System: The UNT Digital Library

First Principles Study of the Effect of Local Bonding on Diffusion Mechanisms in Alloys

This work demonstrates how local, randomized tailoring of bond stiffness can affect the activation energy of diffusion in model alloys using density functional theory-based computations. This work is organized into two parts. The first part deals with the vacancy diffusion mechanism, and it compares the in–plane (IP) vs out-of-plane (OOP) diffusion paths in prototypical binary Mg-X (Ca, Y, and Gd) and ternary Mg-X (Ca, Y, and Gd)-Zn alloys. We examine how vacancy formation, migration, and solute vacancy binding energies in binary Mg-X alloys influence diffusion activation and correlated them with conventional diffusion model based solely on the solute sizes. Next, we explore how Zn addition to binary Mg-X (Ca, Y, and Gd) alloys influences the OOP activation energy barrier is discussed in terms of detailed energetic computations and bond characterization in the present work. Our results indicate that Zn addition further enhances the OOP activation energy barrier compared to corresponding activation energies in Mg binaries. This work concludes that engineering stiffer directional bonds via micro-alloying additions in Mg is a promising route to dramatically improve their high temperature creep response. The second part of my work investigates the effects of Si, P, and S solutes on H interstitial diffusion mechanism …
Date: December 2021
Creator: Paranjape, Priyanvada Madhukar
System: The UNT Digital Library
Unraveling the Effect of Atomic Configurations and Structural Statistics on Mechanical Behavior of Multicomponent and Amorphous Alloys (open access)

Unraveling the Effect of Atomic Configurations and Structural Statistics on Mechanical Behavior of Multicomponent and Amorphous Alloys

Multicomponent high-entropy and amorphous alloys represent relatively new classes of structural materials with complex atomic configurations and exceptional mechanical properties. However, there are several knowledge gaps in the relationships between their atomic structure and mechanical properties. Understanding these critical relationships will enable novel alloy design and tailoring of their mechanical properties for desired engineering applications. In this dissertation, first-principles calculations and molecular dynamics simulations are applied to investigate the local atomic configurations and ordering in high-entropy and amorphous alloys. Our findings suggest that fluctuations in local atomic configurations for high- entropy alloys result in significant changes in stacking fault energy, twin energy, dislocation behavior, dislocation-twin interactions, and critical shear stress. For amorphous alloys or metallic glasses, the short-range order (SRO) and medium-range order (MRO) were found to play decisive roles in determination of their mechanical properties. Structural relaxation was found to lead to shear localization, which was attributed to free volume change and evolution of SRO and MRO to more brittle nature. In contrast, rejuvenated metallic glasses had relatively large and uniform free volume distribution giving rise to homogeneous flow and increased plasticity.
Date: December 2021
Creator: Yang, Yu Chia
System: The UNT Digital Library
Thermokinetics-Dependent Microstructural Evolution and Material Response in Laser-Based Additive Manufacturing (open access)

Thermokinetics-Dependent Microstructural Evolution and Material Response in Laser-Based Additive Manufacturing

Laser-based additive manufacturing offers a high degree of thermokinetic flexibility that has implications on the structure and properties of the fabricated component. However, to exploit the flexibility of this process, it is imperative to understand the process-inherent thermokinetic evolution and its effect on the material characteristics. In view of this, the present work establishes a fundamental understanding of the spatiotemporal variation of thermokinetics during the fabrication of the non-ferrous alloys using the laser powder bed fusion process. Due to existing limitations of experimental techniques to probe such thermokinetics, a finite element method-based computational model is developed to predict the thermokinetic variations during the process. With the computational approach coupled with experimental techniques, the current work presents the solidification behavior influenced by spatially varying thermokinetics. In addition, it uniquely predicts the process-inherent multi-track multi-layer evolution of thermal cycles as well as thermal stress cycles and identifies their influence on the post-solidification microstructural evolution involving solid-state phase transformation. Lastly, the response of the material with a unique microstructure is recorded under various conditions (static and dynamic), which is again compared with the same set properties obtained for the same material processed via conventional routes.
Date: December 2021
Creator: Pantawane, Mangesh V
System: The UNT Digital Library