Matching Items (160)
Description
The relationships between the properties of materials and their microstructures have been a central topic in materials science. The microstructure-property mapping and numerical failure prediction are critical for integrated computational material engineering (ICME). However, the bottleneck of ICME is the lack of a clear understanding of the failure mechanism as well as an efficient computational framework. To resolve these issues, research is performed on developing novel physics-based and data-driven numerical methods to reveal the failure mechanism of materials in microstructure-sensitive applications.
First, to explore the damage mechanism of microstructure-sensitive materials in general loading cases, a nonlocal lattice particle model (LPM) is adopted because of its intrinsic ability to handle the discontinuity. However, the original form of LPM is unsuitable for simulating nonlinear behavior involving tensor calculation. Therefore, a damage-augmented LPM (DLPM) is proposed by introducing the concept of interchangeability and bond/particle-based damage criteria. The proposed DLPM successfully handles the damage accumulation behavior in general material systems under static and fatigue loading cases.
Then, the study is focused on developing an efficient physics-based data-driven computational framework. A data-driven model is proposed to improve the efficiency of a finite element analysis neural network (FEA-Net). The proposed model, i.e., MFEA-Net, aims to learn a more powerful smoother in a multigrid context. The learned smoothers have good generalization properties, and the resulted MFEA-Net has linear computational complexity. The framework has been applied to efficiently predict the thermal and elastic behavior of composites with various microstructural fields. Finally, the fatigue behavior of additively manufactured (AM) Ti64 alloy is analyzed both experimentally and numerically. The fatigue experiments show the fatigue life is related with the contour process parameters, which can result in different pore defects, surface roughness, and grain structures. The fractography and grain structures are closely observed using scanning electron microscope. The sample geometry and defect/crack morphology are characterized through micro computed tomography (CT). After processing the pixel-level CT data, the fatigue crack initiation and growth behavior are numerically simulated using MFEA-Net and DLPM. The experiments and simulation results provided valuable insights in fatigue mechanism of AM Ti64 alloy.
ContributorsMeng, Changyu (Author) / Liu, Yongming (Thesis advisor) / Hoover, Christian (Committee member) / Li, Lin (Committee member) / Peralta, Pedro (Committee member) / Wang, Liping (Committee member) / Arizona State University (Publisher)
Created2023
Description
Metal-Oxide-Semiconductor (MOS) is essential to modern VLSI devices. In the past decades, a wealth of literature has been created to understand the impact of the radiation-induced charges on the devices, i.e., the creation of electron-hole pairs in the oxide layer which is the most sensitive part of MOS structure to the radiation effect. In this work, both MOS and MNOS devices were fabricated at ASU NanoFab to study the total ionizing dose effect using capacitance-voltage (C-V) electrical characterization by observing the direction and amounts of the shift in C-V curves and electron holography observation to directly image the charge buildup at the irradiated oxide film of the oxide-only MOS device.C-V measurements revealed the C-V curves shifted to the left after irradiation (with a positive bias applied) because of the net positive charges trapped at the oxide layer for the oxide-only sample. On the other hand, for nitride/oxide samples with positive biased during irradiation, the C-V curve shifted to the right due to the net negative charges trapped at the oxide layer. It was also observed that the C-V curve has less shift in voltage for MNOS than MOS devices after irradiation due to the less charge buildup after irradiation.
Off-axis electron holography was performed to map the charge distribution across the MOSCAP sample. Compared with both pre-and post-irradiated samples, a larger potential drop at the Si/SiO2 was noticed in post-irradiation samples, which indicates the presence of greater amounts of positive charges that buildup the Si/SiO2 interface after the TID exposure.
TCAD modeling was used to extract the density of charges accumulated near the SiO2/Si and SiO2/ Metal interface by matching the simulation results to the potential data from holography. The increase of near-interface positive charges in post-irradiated samples is consistent with the C-V results.
ContributorsChang, Ching Tao (Author) / Barnaby, Hugh (Thesis advisor) / Holbert, Keith (Committee member) / Tongay, Sefaattin (Committee member) / Arizona State University (Publisher)
Created2023
Description
My thesis, Design of Hierarchically Porous Materials Containing Covalent Organic Frameworks, focuses on testing the validity of incorporating nanoporous organic materials into macroporous scaffolding to improve the functionality of covalent organic frameworks as materials for filtration applications. The macroporous scaffold was based off of a material recently described in literature and the bulk of the experimentation was focused on the effects of the necessary processing for the creation of the macroporous material on the structure of the covalent organic frameworks. The property primarily investigated was the Brunauer-Emmett-Teller surface area, as the applicability of the frameworks is largely determined by their nanoporous surface area.
ContributorsRidenour, Brian (Author) / Jin, Kailong (Thesis director) / Tongay, Sefaattin (Committee member) / Barrett, The Honors College (Contributor) / Materials Science and Engineering Program (Contributor)
Created2023-05
Description
The recent discoveries of 2D van der Waals (vdW) materials have led to the realization of 2D magnetic crystals. Previously debated and thought impossible, transition metal halides (TMH) have given rise to layer dependent magnetism. Using these TMH as a basis, an alloy composing of Fe1-xNixCl2 (where 0 ≤ x ≤ 1) was grown using chemical vapor transport. The intrigue for this alloy composition stems from the interest in spin canting and magnet moment behavior since NiCl2 has in-plane ferromagnetism whereas FeCl2 has out-of-plane ferromagnetism. While in its infancy, this project lays out a foundation to fully develop and characterize this TMH via cationic alloying. To study the magnetic properties of this alloy system, Vibrating Sample Magnetometry was employed extensively to measure the magnetism as a function of temperature as well as applied magnetic field. Future work with use a combination of X-Ray Diffraction, Raman, Scanning Electron Microscopy, and Energy-Dispersive X-Ray Spectroscopy Mapping to verify homogeneous alloying rather than phase separation. Additionally, ellipsometry will be used with Kramer-Kronig relations to extract the dielectric constant from Fe1-xNixCl2. This work lays the foundation for future, fruitful work to prepare this vdW cationic alloy for eventual device applications.
ContributorsPovilus, Blake (Author) / Tongay, Sefaattin (Thesis director) / Yang, Sui (Committee member) / Barrett, The Honors College (Contributor) / Materials Science and Engineering Program (Contributor)
Created2022-05
Description
Vanadium-dioxide-based devices show great switchability in their optical properties due to its dramatic thermochromic phase transition from insulator to metal, but generally have concerns due to its relatively high transition temperature at 68 °C. Doping the vanadium dioxide with tungsten has been shown to reduce its transition temperature at the cost lower optical property differences between its insulating and metallic phases. A recipe is developed through parametric experimentation to fabricate tungsten-doped vanadium dioxide consisting of a novel dual target co-sputtering deposition, a furnace oxidation process, and a post-oxidation annealing process. The transmittance spectra of the resulting films are measured via Fourier-transform infrared spectroscopy at different temperatures to confirm the lowered transition temperature and analyze their thermal-optical hysteresis behavior through the transition temperature range. Afterwards, the optical properties of undoped sputtered vanadium films are modeled and effective medium theory is used to explain the effect of tungsten dopants on the observed transmittance decrease of doped vanadium dioxide. The optical modeling is used to predict the performance of tungsten-doped vanadium dioxide devices, in particular a Fabry-Perot infrared emitter and a nanophotonic infrared transmission filter. Both devices show great promise in their optical properties despite a slight performance decrease from the tungsten doping. These results serve to illustrate the excellent performance of the co-sputtered tungsten-doped vanadium dioxide films.
ContributorsChao, Jeremy (Author) / Wang, Liping (Thesis advisor) / Wang, Robert (Committee member) / Tongay, Sefaattin (Committee member) / Arizona State University (Publisher)
Created2022
Description
Rare-earth tritellurides (RTe3) are two-dimensional materials with unique quantum properties, ideal for investigating quantum phenomena and applications in supercapacitors, spintronics, and twistronics. This dissertation examines the electronic, magnetic, and phononic properties of the RTe3 family, exploring how these can be controlled using chemical pressure, cationic alloying, and external pressure.The impact of chemical pressure on RTe3 phononic properties was investigated through noninvasive micro-Raman spectroscopy, demonstrating the potential of optical measurements for determining charge density wave (CDW) transition temperatures. Cationic alloying studies showed seamless tuning of CDW transition temperatures by modifying lattice constants and revealed complex magnetism in alloyed RTe3 with multiple magnetic transitions.
A comprehensive external pressure study examined the influence of spacing between RTe3 layers on phononic and CDW properties across the RTe3 family. Comparisons between different RTe3 materials showed LaTe3, with the largest thermodynamic equilibrium interlayer spacing (smallest chemical pressure), has the most stable CDW phases at high pressures. Conversely, CDW phases in late RTe3 systems with larger internal chemical pressures were more easily suppressed by applied pressure.
The dissertation also investigated Schottky barrier realignment at RTe3/semiconductor interfaces induced by CDW transitions, revealing changes in Schottky barrier height and ideality factor around the CDW transition temperature. This indicates that chemical potential changes of RTe3 below the CDW transition temperature influence Schottky junction properties, enabling CDW state probing through interface property measurements.
A detailed experimental and theoretical analysis of the oxidation process of RTe3 compounds was performed, which revealed faster degradation in late RTe3 systems. Electronic property changes, like CDW transition temperature and chemical potential, are observed as degradation progresses. Quantum mechanical simulations suggested that degradation primarily results from strong oxidizing reactions with O2 molecules, while humidity (H2O) plays a negligible role unless Te vacancies exist.
Lastly, the dissertation establishes a large-area thin film deposition at relatively low temperatures using a soft sputtering technique. While focused on MoTe2 deposition, this technique may also apply to RTe3 thin film deposition.
Overall, this dissertation expands the understanding of the fundamental properties of RTe3 materials and lays the groundwork for potential device applications.
ContributorsYumigeta, Kentaro (Author) / Tongay, Sefaattin (Thesis advisor) / Ponce, Fernando (Committee member) / Drucker, Jeffery (Committee member) / Erten, Onur (Committee member) / Arizona State University (Publisher)
Created2023
Description
Janus Transition Metal Dichalcogenides (TMDs) are emerging 2D quantum materials with an asymmetric chalcogen configuration that induces an out-of-plane dipole moment. Their synthesis has been a limiting factor in exploring these systems' many-body physics and interactions. This dissertation examines the challenges associated with synthesis and charts the excitonic landscape of Janus crystals by proposing the development of the Selective Epitaxy and Atomic Replacement (SEAR) technique. SEAR utilizes ionized radical precursors to modify TMD monolayers into their Janus counterparts selectively. The synthesis is coupled with optical spectroscopy and monitored in real-time, enabling precise control of reaction kinetics and the structural evolution of Janus TMDs. The results demonstrate the synthesis of Janus TMDs at ambient temperatures, reducing defects and preserving the structural integrity with the hitherto best-reported exciton linewidth emission value, indicating ultra-high optical quality. Cryogenic optical spectroscopy (4K) coupled with a magnetic field on Janus monolayers has allowed the isolation of excitonic transitions and the identification of charged exciton complexes. Further study into macroscopic and microscopic defects reveals that structural asymmetry results in the spontaneous formation of 2D Janus Nanoscrolls from an in-plane strain. The chalcogen arrangement in these structures dictates two types of scrolling dynamics that form Archimedean or inverted C-scrolls. High-resolution scanning transmission electron microscopy of these superlattices shows a preferential orientation of scrolling and formation of Moiré patterns. These materials' thermodynamically favorable defect states are identified and shown to be optically active. The encapsulation of Janus TMDs with hexagonal Boron Nitride (h-BN) has allowed isolation defect transitions. DFT coupled with power-dependent PL spectroscopy at 4K shows the broad defect band to be a convolution of individual defect states with extremely narrow linewidth (2 meV) indicative of a two-state quantum system. The research presents a comprehensive synthesis approach with insights into the structural and morphological stability of 2D Janus layers, establishing a complete structure-property correlation of optical transitions and defect states, broadening the scope for practical applications in quantum information technologies.
ContributorsSayyad, Mohammed Yasir (Author) / Tongay, Sefaattin (Thesis advisor) / Esqueda, Ivan S (Committee member) / Zhuang, Houlong (Committee member) / Arizona State University (Publisher)
Created2024
Description
Organic electronics have remained a research topic of great interest over the past few decades, with organic light emitting diodes (OLEDs) emerging as a disruptive technology for lighting and display applications. While OLED performance has improved significantly over the past decade, key issues remain unsolved such as the development of stable and efficient blue devices. In order to further the development of OLEDs and increase their commercial potential, innovative device architectures, novel emissive materials and high-energy hosts are designed and reported.
OLEDs employing step-wide graded-doped emissive layers were designed to improve charge balance and center the exciton formation zone leading to improved device performance. A red OLED with a peak efficiency of 16.9% and an estimated LT97 over 2,000 hours at 1,000 cd/m2 was achieved. Employing a similar structure, a sky-blue OLED was demonstrated with a peak efficiency of 17.4% and estimated LT70 over 1,300 hours at 1,000 cd/m2. Furthermore, the sky-blue OLEDs color was improved to CIE coordinates of (0.15, 0.25) while maintaining an efficiency of 16.9% and estimated LT70 over 600 hours by incorporating a fluorescent sensitizer. These devices represent literature records at the time of publication for efficient and stable platinum phosphorescent OLEDs.
A newly developed class of emitters, metal-assisted delayed-fluorescence (MADF), are demonstrated to achieve higher-energy emission from a relatively low triplet energy. A green MADF device reaches a peak efficiency of 22% with an estimated LT95 over 350 hours at 1,000 cd/m2. Additionally, a blue charge confined OLED of PtON1a-tBu demonstrated a peak efficiency above 20%, CIE coordinated of (0.16, 0.27), and emission onset at 425 nm.
High triplet energy hosts are required for the realization of stable and efficient deep blue emission. A rigid “M”-type carbazole/fluorene hybrid called mDCzPF and a carbazole/9-silafluorene hybrid called mDCzPSiF are demonstrated to have high triplet energies ET=2.88 eV and 3.03 eV respectively. Both hosts are demonstrated to have reasonable stability and can serve as a template for future material design. The techniques presented here demonstrate alternative approaches for improving the performance of OLED devices and help to bring this technology closer to widespread commercialization.
OLEDs employing step-wide graded-doped emissive layers were designed to improve charge balance and center the exciton formation zone leading to improved device performance. A red OLED with a peak efficiency of 16.9% and an estimated LT97 over 2,000 hours at 1,000 cd/m2 was achieved. Employing a similar structure, a sky-blue OLED was demonstrated with a peak efficiency of 17.4% and estimated LT70 over 1,300 hours at 1,000 cd/m2. Furthermore, the sky-blue OLEDs color was improved to CIE coordinates of (0.15, 0.25) while maintaining an efficiency of 16.9% and estimated LT70 over 600 hours by incorporating a fluorescent sensitizer. These devices represent literature records at the time of publication for efficient and stable platinum phosphorescent OLEDs.
A newly developed class of emitters, metal-assisted delayed-fluorescence (MADF), are demonstrated to achieve higher-energy emission from a relatively low triplet energy. A green MADF device reaches a peak efficiency of 22% with an estimated LT95 over 350 hours at 1,000 cd/m2. Additionally, a blue charge confined OLED of PtON1a-tBu demonstrated a peak efficiency above 20%, CIE coordinated of (0.16, 0.27), and emission onset at 425 nm.
High triplet energy hosts are required for the realization of stable and efficient deep blue emission. A rigid “M”-type carbazole/fluorene hybrid called mDCzPF and a carbazole/9-silafluorene hybrid called mDCzPSiF are demonstrated to have high triplet energies ET=2.88 eV and 3.03 eV respectively. Both hosts are demonstrated to have reasonable stability and can serve as a template for future material design. The techniques presented here demonstrate alternative approaches for improving the performance of OLED devices and help to bring this technology closer to widespread commercialization.
ContributorsKlimes, Kody George (Author) / Li, Jian (Thesis advisor) / Adams, James (Committee member) / Wang, Liping (Committee member) / Arizona State University (Publisher)
Created2019
Description
The residential building sector accounts for more than 26% of the global energy consumption and 17% of global CO2 emissions. Due to the low cost of electricity in Kuwait and increase of population, Kuwaiti electricity consumption tripled during the past 30 years and is expected to increase by 20% by 2027. In this dissertation, a framework is developed to assess energy savings techniques to help policy-makers make educated decisions. The Kuwait residential energy outlook is studied by modeling the baseline energy consumption and the diffusion of energy conservation measures (ECMs) to identify the impacts on household energy consumption and CO2 emissions.
The energy resources and power generation in Kuwait were studied. The characteristics of the residential buildings along with energy codes of practice were investigated and four building archetypes were developed. Moreover, a baseline of end-use electricity consumption and demand was developed. Furthermore, the baseline energy consumption and demand were projected till 2040. It was found that by 2040, energy consumption would double with most of the usage being from AC. While with lighting, there is a negligible increase in consumption due to a projected shift towards more efficient lighting. Peak demand loads are expected to increase by an average growth rate of 2.9% per year. Moreover, the diffusion of different ECMs in the residential sector was modeled through four diffusion scenarios to estimate ECM adoption rates. ECMs’ impact on CO2 emissions and energy consumption of residential buildings in Kuwait was evaluated and the cost of conserved energy (CCE) and annual energy savings for each measure was calculated. AC ECMs exhibited the highest cumulative savings, whereas lighting ECMs showed an immediate energy impact. None of the ECMs in the study were cost effective due to the high subsidy rate (95%), therefore, the impact of ECMs at different subsidy and rebate rates was studied. At 75% subsidized utility price and 40% rebate only on appliances, most of ECMs will be cost effective with high energy savings. Moreover, by imposing charges of $35/ton of CO2, most ECMs will be cost effective.
The energy resources and power generation in Kuwait were studied. The characteristics of the residential buildings along with energy codes of practice were investigated and four building archetypes were developed. Moreover, a baseline of end-use electricity consumption and demand was developed. Furthermore, the baseline energy consumption and demand were projected till 2040. It was found that by 2040, energy consumption would double with most of the usage being from AC. While with lighting, there is a negligible increase in consumption due to a projected shift towards more efficient lighting. Peak demand loads are expected to increase by an average growth rate of 2.9% per year. Moreover, the diffusion of different ECMs in the residential sector was modeled through four diffusion scenarios to estimate ECM adoption rates. ECMs’ impact on CO2 emissions and energy consumption of residential buildings in Kuwait was evaluated and the cost of conserved energy (CCE) and annual energy savings for each measure was calculated. AC ECMs exhibited the highest cumulative savings, whereas lighting ECMs showed an immediate energy impact. None of the ECMs in the study were cost effective due to the high subsidy rate (95%), therefore, the impact of ECMs at different subsidy and rebate rates was studied. At 75% subsidized utility price and 40% rebate only on appliances, most of ECMs will be cost effective with high energy savings. Moreover, by imposing charges of $35/ton of CO2, most ECMs will be cost effective.
ContributorsAlajmi, Turki (Author) / Phelan, Patrick E (Thesis advisor) / Kaloush, Kamil (Committee member) / Huang, Huei-Ping (Committee member) / Wang, Liping (Committee member) / Hajiah, Ali (Committee member) / Arizona State University (Publisher)
Created2019
Description
Recently, two-dimensional (2D) materials have emerged as a new class of materials with highly attractive electronic, optical, magnetic, and thermal properties. However, there exists a sub-category of 2D layers wherein constituent metal atoms are arranged in a way that they form weakly coupled chains confined in the 2D landscape. These weakly coupled chains extend along particular lattice directions and host highly attractive properties including high thermal conduction pathways, high-mobility carriers, and polarized excitons. In a sense, these materials offer a bridge between traditional one-dimensional (1D) materials (nanowires and nanotubes) and 2D layered systems. Therefore, they are often referred as pseudo-1D materials, and are anticipated to impact photonics and optoelectronics fields.
This dissertation focuses on the novel growth routes and fundamental investigation of the physical properties of pseudo-1D materials. Example systems are based on transition metal chalcogenide such as rhenium disulfide (ReS2), titanium trisulfide (TiS3), tantalum trisulfide (TaS3), and titanium-niobium trisulfide (Nb(1-x)TixS3) ternary alloys. Advanced growth, spectroscopy, and microscopy techniques with density functional theory (DFT) calculations have offered the opportunity to understand the properties of these materials both experimentally and theoretically. The first controllable growth of ReS2 flakes with well-defined domain architectures has been established by a state-of-art chemical vapor deposition (CVD) method. High-resolution electron microscopy has offered the very first investigation into the structural pseudo-1D nature of these materials at an atomic level such as the chain-like features, grain boundaries, and local defects.
Pressure-dependent Raman spectroscopy and DFT calculations have investigated the origin of the Raman vibrational modes in TiS3 and TaS3, and discovered the unusual pressure response and its effect on Raman anisotropy. Interestingly, the structural and vibrational anisotropy can be retained in the Nb(1-x)TixS3 alloy system with the presence of phase transition at a nominal Ti alloying limit. Results have offered valuable experimental and theoretical insights into the growth routes as well as the structural, optical, and vibrational properties of typical pseudo-1D layered systems. The overall findings hope to shield lights to the understanding of this entire class of materials and benefit the design of 2D electronics and optoelectronics.
This dissertation focuses on the novel growth routes and fundamental investigation of the physical properties of pseudo-1D materials. Example systems are based on transition metal chalcogenide such as rhenium disulfide (ReS2), titanium trisulfide (TiS3), tantalum trisulfide (TaS3), and titanium-niobium trisulfide (Nb(1-x)TixS3) ternary alloys. Advanced growth, spectroscopy, and microscopy techniques with density functional theory (DFT) calculations have offered the opportunity to understand the properties of these materials both experimentally and theoretically. The first controllable growth of ReS2 flakes with well-defined domain architectures has been established by a state-of-art chemical vapor deposition (CVD) method. High-resolution electron microscopy has offered the very first investigation into the structural pseudo-1D nature of these materials at an atomic level such as the chain-like features, grain boundaries, and local defects.
Pressure-dependent Raman spectroscopy and DFT calculations have investigated the origin of the Raman vibrational modes in TiS3 and TaS3, and discovered the unusual pressure response and its effect on Raman anisotropy. Interestingly, the structural and vibrational anisotropy can be retained in the Nb(1-x)TixS3 alloy system with the presence of phase transition at a nominal Ti alloying limit. Results have offered valuable experimental and theoretical insights into the growth routes as well as the structural, optical, and vibrational properties of typical pseudo-1D layered systems. The overall findings hope to shield lights to the understanding of this entire class of materials and benefit the design of 2D electronics and optoelectronics.
ContributorsWu, Kedi (Author) / Tongay, Sefaattin (Thesis advisor) / Zhuang, Houlong (Committee member) / Green, Matthew (Committee member) / Arizona State University (Publisher)
Created2018