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- All Subjects: Materials Science
- Genre: Masters Thesis
- Status: Published
Description
High-entropy alloys (HEAs) is a new class of materials which have been studied heavily due to their special mechanical properties. HEAs refers to alloys with multiple equimolar or nearly equimolar elements. HEAs show exceptional and attractive properties currently absent from conventional alloys, which make them the center of intense investigation. HEAs obtain their properties from four core effects that they exhibit and most of the work on them have been dedicated to study their mechanical properties. In contrast, little or no research have gone into studying the functional or even thermal properties of HEAs. Some HEAs have also shown exceptional or very high melting points. According to the definition of HEAs, Si-Ge-Sn alloys with equal or comparable concentrations of the three group IV elements belong to the category of HEAs. Thus, the equimolar components of Si-Ge-Sn alloys probably allow their atomic structures to display the same fundamental effects of metallic HEAs. The experimental fabrication of such alloys has been proven to be very difficult, which is mainly due to differences between the properties of their constituent elements, as indicated from their binary phase diagrams. However, previous computational studies have shown that SiGeSn HEAs have some very interesting properties, such as high electrical conductivity, low thermal conductivity and semiconducting properties. In this work, going for a complete characterization of the SiGeSn HEA properties, the melting point of this alloy is studied using classical molecular dynamics (MD) simulations and density functional theory (DFT) calculations. The aim is to investigate the effects of high Sn content in this alloy on the melting point compared with the traditional SiGe alloys. Classical MD simulations results strongly indicates that none of the available empirical potentials is able to predict accurate or reasonable melting points for SiGeSn HEAs and most of its subsystems. DFT calculations results show that SiGeSn HEA have a melting point which represent the mean value of its constituent elements and that no special deviations are found. This work contributes to the study of SiGeSn HEA properties, which can serve as guidance before the successful experimental fabrication of this alloy.
ContributorsAlqaisi, Ahmad Madhat Odeh (Author) / Hong, Qi-Jun (Thesis advisor) / Zhuang, Houlong (Thesis advisor) / Jiao, Yang (Committee member) / Arizona State University (Publisher)
Created2023
Description
In the Rare-earth-Tri-telluride family, (RTe3s) [R=La, Ce, Nd, Sm, Gd, Tb, Dy, Er, Ho, Tm] the emergence of Charge Density Waves, (CDW) has been under investigation for a long time due to broadly tunable properties by either chemical substitution or pressure application. These quasi 2D Layered materials RTe3s undergo Fermi Surface Nesting leading to CDW instability. CDWs are electronic instabilities found in low-dimensional materials with highly anisotropic electronic structures. Since the CDW is predominantly driven by Fermi-surface (FS) nesting, it is especially sensitive to pressure-induced changes in the electronic structure. The FS of RTe3s is a function of p-orbitals of Tellurium atoms, which are arranged in two adjacent planes in the crystal structure. Although the FS and electronic structure possess a nearly four-fold symmetry, RTe3s form an incommensurate CDW.This dissertation is structured as follows: Chapter 1 includes basic ideas of Quantum materials, followed by an introduction to CDW and RTe3s. In Chapter 2, there are fundamentals of crystal growth by Chemical Vapor Transport, including various precursors, transport agent, temperature gradient, and rate of the reaction. After the growth, the crystals were confirmed for lattice vibrations by Raman, for composition by Energy Dispersive Spectroscopy; crystal structure and orientation were confirmed by X-ray Diffraction; magnetic ordering was established by Vibrating sample measurement. Detailed CDW study was done on various RTe3s by Raman spectroscopy. The basic mechanism and instrumentations used in these characterizations are explained in Chapter 3. Chapter 4 includes experimental data for crystal growth and results of these characterizations for Parent RTe3s. Chapter 5 includes fundamental insights on Cationic alloying of RTe3s, along with one alloy system’s crystal growth and characterization. This work tries to explain the behavior of CDW by a Temperature-dependent Raman study of RTe3s established the CDW transition temperature accompanied by Phonon softening; Angle-resolved Raman data confirming the nearly four-fold symmetry; thickness-dependent Raman spectroscopy resulting in the conclusion that as thickness decreases CDW transition temperature increases. Also, CDW transition is analyzed as a function of alloying.
ContributorsAttarde, Yashika (Author) / Tongay, Sefaattin (Thesis advisor) / Botana, Antia (Committee member) / Alford, Terry (Committee member) / Arizona State University (Publisher)
Created2021
Description
Electrostatic Discharge (ESD) is a unique issue in the electronics industry that can cause failures of electrical components and complete electronic systems. There is an entire industry that is focused on developing ESD compliant tooling using traditional manufacturing methods. This research work evaluates the feasibility to fabricate a PEEK-Carbon Nanotube composite filament for Fused Filament Fabrication (FFF) Additive Manufacturing that is ESD compliant. In addition, it demonstrates that the FFF process can be used to print tools with the required accuracy, ESD compliance and mechanical properties necessary for the electronics industry at a low rate production level. Current Additive Manufacturing technology can print high temperature polymers, such as PEEK, with the required mechanical properties but they are not ESD compliant and require post processing to create a product that is. There has been some research conducted using mixed multi-wall and single wall carbon nanotubes in a PEEK polymers, which improves mechanical properties while reducing bulk resistance to the levels required to be ESD compliant. This previous research has been used to develop a PEEK-CNT polymer matrix for the Fused Filament Fabrication additive manufacturing process
ContributorsChurchwell, Raymond L (Author) / Sugar, Thomas (Thesis advisor) / Rogers, Bradley (Committee member) / Morrell, Darryl (Committee member) / Arizona State University (Publisher)
Created2020
Description
Composites are replacing conventional materials in aerospace applications due to their light weight, non-corrosiveness, and high specific strength. This thesis aims to characterize the input data for IM7-8552 unidirectional composite to support MAT213, an orthotropic elasto-plastic damage material model and MAT_186, a mixed mode cohesive zone model used to model delamination. MAT_213 in conjunction with MAT_186 can be used to predict the behavior of composite under crush and impact loads including delamination. MAT_213 requires twelve sets of stress-strain curves, direction-dependent material constants, and flow rule coefficients as input. All the necessary inputs are obtained through the post-processing of a total of twelve distinct quasi-static and room temperature (QS-RT) experiments. MAT_186 is driven by a set of Mode I and Mode II fracture parameters and traction separation laws, a constitutive law that derives the relationship between stresses and relative displacements at integration points of cohesive elements. Obtaining cohesive law parameters experimentally is a tedious process as it requires close monitoring of the crack length during the test, which is a difficult task to achieve with accuracy even after using sophisticated equipment such as Digital Image Correlation (DIC). In this thesis, a numerical inverse analysis method to precisely predict these parameters by using finite element analysis with cohesive zone modeling and response surface methodology (RSM) is proposed. Three steps comprise RSM. The process in Step 1 involves calculating the root mean square error between the finite element and experimental load-displacement curves to produce the response surface. In step 2, the response surface is fitted with a second-order polynomial using the Levenberg-Marquardt algorithm. In step 3, an optimization problem is solved by minimizing the fitted function to find the optimum cohesive zone parameters. Finally, the obtained input for MAT_213 and MAT_186 material models is validated by performing a quasi-isotropic tension test simulation.
ContributorsRaihan, Mohammed (Author) / Rajan, Subramaniam (Thesis advisor) / Neithalath, Narayanan (Committee member) / Hoover, Christian (Committee member) / Yellavajjala, Ravi (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
This study presents an evaluation of the predicted flow behavior and the minimum outlet diameter in a computationally simulated hopper. The flow pattern in hoppers was simulated to test three size fractions, three moisture levels of microcrystalline cellulose (MCC), and two hopper wall angles in Multiphase Flow with Interphase eXchanges (MFiX). Predictions from MFiX were then compared to current literature. As expected, the smaller size fractions with lower water content were closer to ideal funnel flow than their larger counterparts. The predicted minimum outlet diameter in simulations showed good agreement with close to ideal flowability. These findings illustrate the connection between lab flowability experiments and computational simulations. Lastly, three fluidized bed simulations were also created in MFiX with zeolite 13X to analyze the pressure and velocity within the bed. The application of flowability simulations can improve the transport of solids in processing equipment used during the production of powders.
ContributorsBuchanan, Lidija (Author) / Emady, Heather (Thesis advisor) / Muhich, Christopher (Committee member) / Deng, Shuguang (Committee member) / Arizona State University (Publisher)
Created2023
Description
The characterization of interface properties in molten slag is crucial for understanding the interface phenomenon and the reactions between slag and metal. This study focuses on examining the influence of Cr2O3, an important surface active oxide, on the wettability and surface tension of slag. Industrial Electric Arc Furnace (EAF) slag with two different Cr2O3 contents (1 wt% and 3 wt%) was investigated using the sessile drop measurement technique at a high temperature of 1650°C. For the preparation of 3 wt% Cr2O3-doped slags, the following crucibles were used: Al2O3, Mo, and MgO. The behavior of crucibles, the dissolution process as well as its effect on the slag thermophysical properties were studied. For the evaluation of surface tension, Mo and MgO substrates were used. The contact angle was measured using the sessile drop method, and the surface tension was calculated using the Young-Laplace-based software. The interaction and wettability behavior between the slag and different substrates was studied. The effects of Cr2O3 content, in correlation with Al2O3, Mo, and MgO, as well as temperature, on the surface tension, and phase formation were analyzed using FactSage 8.2. The results indicate an increase in the formation of solid phases with Al2O3 and Mo dissolution into the slag. The composition of the MoO3 is confirmed with the XRF and EDS analysis. Furthermore, an increase in the formation of the spinel phase was observed with the addition of chromium, which is confirmed via XRD. The increase in the CaCrMo-oxide-based spinel led to a decrease in the surface tension of the slag. The surface tension of the slag pre-melted in a Mo, decreases as the Cr2O3 content increases. The effects of the amounts of Cr2O3 in correlation with Al2O3, MgO, and MoO3 on the slag foaming index were determined using the existing models in the literature.
ContributorsMeena, Neha (Author) / Seetharaman, Sridhar (Thesis advisor) / Alford, Terry (Committee member) / Korobeinikov, Yuri (Committee member) / Arizona State University (Publisher)
Created2023
Description
Nanomaterials redefine the lens through which the world is viewed today. The miniaturization of devices and systems to the nanoscale explodes the realm of what is possible as the interactions with neighboring atoms and molecules increase. This interactivity creates ripple effects that lead to superior mechanical, thermal, electrical, and optical properties that are highly desired across several industries. Two-dimensional (2D) materials are a branch of this family, and the focus of this paper revolves around a recent addition to this category called MXenes. The versatile properties of these 2D nanomaterials have made them unique, as they have the desired performance that can be utilized in several industries, especially energy management, wastewater treatment, and microelectronic devices. Followed by the MAX phase synthesis, hydrofluoric (HF) acid has been the primary etchant utilized to derive these 2D nanoparticles. However, alternative etchants via reactions are desirable to achieve similar selective etching without involving highly toxic HF. Therefore, this study investigated MXene synthesis and applications in 3D printing, followed by the formation of the precursor MAX, an optimized in-situ etching method, and streamlined post-etching processes to maximize 2D MXene yield. The etched powders were then analyzed using scanning electron microscopy (SEM), x-ray diffraction (XRD), atomic force microscopy (AFM), and energy-dispersive x-ray spectroscopy (EDS) characterization methods to verify and validate the MXene dimensions, chemistry, and crystal structures. Simple applications, such as the dispersion feasibility for customizing micropatterns via 3D printing, were also demonstrated as examples. Finally, this research showed the simple processing of 2D MXenes and their potential in structural support, heat dissipation, microelectronics, optical meta-surfaces, and other areas.
ContributorsFagade, Mofetoluwa (Author) / Song, Kenan (Thesis advisor) / Kwon, Beomjin (Committee member) / Nian, Qiong (Committee member) / Arizona State University (Publisher)
Created2023
Description
Combining 3D bio-printing and drug delivery are promising techniques tofabricate scaffolds with well controlled and patient-specific structures for tissue
engineering. In this study, silk derivatives of bioink were developed consisting of
silk fibroin and gelatin then 3D printed into scaffolds. The scaffolds would be
evaluated for small molecule release, cell growth, degradation, and morphology.
Preparations and design of the scaffolds are major parts of engineering and tissue
engineering. Scaffolds are designed to mimic extracellular matrix by providing
structural support as well as promoting cell attachment and proliferation with
minimum inflammation while degrading at a controlled rate. Scaffolds offers new
potentials in medicine by aiding in the preparation of personalized and controlled
release therapeutic systems.
ContributorsNg, Johnny (Author) / Rege, Kaushal (Thesis advisor) / Holloway, Julianne (Committee member) / Jin, Kailong (Committee member) / Arizona State University (Publisher)
Created2022
Description
Surface roughness has a negative impact on several failures of materials medium. It can accelerate the pitting corrosion, increase effective heat transfer and increase the rate of effective charge loss. However, the controlled surface roughness may be desirable in many situations. The automotive lead-acid battery is very sensitive to such effects. The cast-on-strap machine has the largest effect on the surface roughness of the lead-antimony alloy in our case study. The two-point correlation function is an efficient characterization tool for two-phase heterogeneous materials. Considering the nature that the two-point correlation function is a spatial statistical function, it cannot distinguish between a two-phase material or materials with surfaces containing protrusion of distinct heights. A case study to examine its capability in quantifying surface roughness isintroduced. The possibility of applying a simulated annealing procedure to optimize using information obtained from the two-point correlation function is investigated. Outcomes show a successful surface representation, as well as optimization, that agrees with the initially proposed hypothesis.
ContributorsBasyoni, Mohamed Nasser (Author) / Jiao, Yang Prof. (Thesis advisor) / Yang, Sui Dr. (Committee member) / Zhuang, Houlong Dr. (Committee member) / Arizona State University (Publisher)
Created2022