Engineering Commons^™

Characterizing The Structure And Radiation Resistance Of Weberite-Type Complex Oxides, Igor M. Gussev

Doctoral Dissertations

Weberite-type A₃BO₇ oxides, where A is a trivalent rare earth and B is a pentavalent element like Ta, have been a focus of research due to the discovery of the weberite-type local atomic arrangement in ceramics with a defect-fluorite structure. Earlier studies primarily examined their long-range structures, leaving gaps in understanding their short-range atomic behavior. This thesis investigates various weberite-type tantalates across all structural scales. There has been debate over the long-range structure of Y₃TaO₇, a medium-sized rare earth tantalate oxide, particularly regarding its spacegroup symmetry. This work identifies Y₃TaO_{7 …}

Fabrication, Thermophysical, And Mechanical Properties Of Cermet And Cercer Fuel Composites For Nuclear Thermal Propulsion, Neal D. Gaffin

Doctoral Dissertations

Nuclear thermal propulsion (NTP) utilizes nuclear fission to double the efficiency of
in-space propulsion systems compared with traditional combustion rocket systems.
NTP systems are limited primarily by the fuel material choice, due to the extreme
conditions they will need to endure, including temperatures up to 3000 K, multiple
thermal cycles with rapid heating and cooling, exposure to hot flowing hydrogen,
large thermal gradients, and high neutron flux. Particle based fuels, namely ceramic-
metallic (cermet) and ceramic-ceramic (cercer) composites are both promising fuel
element material candidates for NTP. Given the high temperature nature, these
materials are difficult to fabricate and very …

Synthesis And Property Characterization Of Rare-Earth High-Entropy Oxides With Pyrochlore-Type Structures, Candice Kinsler-Fedon

Doctoral Dissertations

In the search for novel materials with advanced physical properties, the concept of adding configurational entropy onto a single atomic site is known to provide new avenues toward material discovery. In the case of high entropy oxides (HEOs), the ability to “tune” a material’s properties by having multiple cations on single or multiple sites allows for greater opportunity to design materials for specific applications. The work presented here explores the synthesis of new multicomponent (high entropy) oxides, followed by a detailed characterization using several techniques. We have successfully synthesized multiple single-phase polycrystalline rare-earth high entropy oxides and grown large, bulk …

Processing Of Preceramic Polymers For Direct-Ink Writing, James W. Kemp

Doctoral Dissertations

Preceramic polymers are organosilicon polymers that, when pyrolyzed to above 1000°C, convert from a polymer to an amorphous ceramic. These polymers have been used for fiber spinning, polymer infiltration, and casting of materials but have recently gained interest for use as the feedstock material for additive manufacturing techniques. This work explores preceramic polymers being used for direct-ink writing (an additive manufacturing method) and many of the issues that occur with the polymers during curing and pyrolysis.

The first chapter of this dissertation provides a review of preceramic polymers, while the second and third chapters focus on the development of inks …

Synthesis And Physical Properties Of High Entropy Oxide Ceramics, Brianna L. Musicó

Doctoral Dissertations

Utilizing entropy as the driving force for stabilizing oxide materials offers a path for the discovery of innovative compounds with unique structure-property relations. The multi-cation approach inherent to high entropy oxides (HEOs) is expected to allow for the tailoring of physical properties that meet the requirements of potential applications. However, the intrinsic disorder and highly localized chemical environments of HEOs bring along new challenges. In order to shed light on the complexities associated multi-cation oxides, we have initiated a systematic study of polycrystalline HEO samples across multiple crystal systems. This work expands the multi-component concept to new compositions and crystal …

Low Energy Recoil Simulations In Mgo, Linbo3, And Litao3 Using Ab Initio Molecular Dynamics, Benjamin Aaron Petersen

Doctoral Dissertations

Ab initio molecular dynamics (AIMD) was utilized to test a series of materials, MgO, LiNbO₃ , and LiTaO₃ , to determine defect structures produced due to low energy recoil events . The kinetic energy required to displace an atom from its lattice site, the threshold displacement energy, was calculated for an array of directions in each material, based on symmetry and complexity of the structure. MgO having a simple rock salt structure provided a model material for demonstrating computational techniques used later on LiTaO₃ and LiNbO₃ . The minimum values for displacing an atom were at …

First-Principles Study Of Point Defect Behavior At Interfaces And In-Plane Strain Fields, Jianqi Xi

Doctoral Dissertations

Interfaces in solid materials are the so-called boundaries, separating crystals with the same structure and chemistry but different orientations, e.g. grain boundaries (GBs), different stacking sequences, e.g. stacking faults (SFs), or crystals with different structures and/or chemistries as well as orientations, e.g. the interface between substrate and thin film. In this study, first-principles calculations are used to investigate the defect behavior at different interfaces and in-plane strain fields, such as stacking fault (SF) in silicon carbide (SiC), in-plane strain field near interfaces in potassium tantalate (KTaO₃), and grain boundary in ceria (CeO₂).

Results show that the …

Helium Diffusion And Accumulation In Gd2ti2o7 And Gd2zr2o7, Caitlin Anne Taylor

Doctoral Dissertations

The effects of helium accumulation on bubble formation and mechanical properties, as well as the fundamentals of helium diffusion in pyrochlores, are experimentally investigated in Gd₂Ti₂O₇ [gadolinium titanate] and Gd₂Zr₂O₇ [gadolinium zirconate]. We find that helium accumulation results in bubble formation at concentrations of 6 at.% in pre-damaged Gd₂Ti₂O₇ and 4.6 at.% in pre-damaged Gd₂Zr₂O₇. Lattice parameter, residual stress, and hardness changes due to helium accumulation were investigated in Gd₂Zr₂O₇, which remains crystalline …

Characterizing Local Order And Physical Properties Of Rare Earth Complex Oxides, Thomas Jacob Shamblin

Doctoral Dissertations

With more than 500 compositions, materials possessing the pyrochlore structure have a myriad of technological applications and physical phenomena. Three of the most noteworthy properties are the structure’s ability to resist amorphization making it a possible host matrix for spent nuclear fuel, its exotic magnetic properties arising from geometric frustration, and fast ionic conductivity for solid-oxide fuel cell applications. This work focuses on these three aspects of the pyrochlore’s many potential uses. Structural characterization revealed that pyrochlore-type oxides have a tendency to disorder from a high symmetry cubic structure to a lower symmetry orthorhombic arrangement in response to a variety …

Ion Irradiation-Induced Microstructural Change In Sic, Chien-Hung Chen

Doctoral Dissertations

The high temperature radiation resistance of nuclear materials has become a key issue in developing future nuclear reactors. Because of its mechanical stability under high-energy neutron irradiation and high temperature, silicon carbide (SiC) has great potential as a structural material in advanced nuclear energy systems.

A newly developed nano-engineered (NE) 3C SiC with a nano-layered stacking fault (SFs) structure has been recently considered as a prospective choice due to enhanced point defect annihilation between layer-type structures, leading to outstanding radiation durability.

The objective of this project was to advance the understanding of gas bubble formation mechanisms under irradiation conditions in …

Ion Irradiation Induced Damage And Dynamic Recovery In Single Crystal Silicon Carbide And Strontium Titanate, Haizhou Xue

Doctoral Dissertations

The objective of this thesis work is to gain better understanding of ion-solid interaction in the energy regime where electronic and nuclear energy loss are comparable. Such responses of materials to ion irradiations are of fundamental importance for micro-electronics and nuclear applications. The ion irradiation induced modification for the crystal structure, the physical and chemical properties etc. may strongly affect the performance of functional materials that needs to be better understood.

Experimentally, ion irradiation induced damage accumulation and dynamic recovery in SiC [silicon carbide] and SrTiO₃ [strontium titanate] were studied in this dissertation project. Five chapters are presented: Firstly, …

Crystal Growth And Physical Property Characterization Of Complex Perovskite Oxides, Ling Li

Doctoral Dissertations

Bulk EuTiO₃ [europium titanate], a quantum paraelectric antiferromagnet, is shown to exhibit multiferroic behavior in strained thin film form, which highlights the spin-phonon coupling in this system. We have investigated the structural, elastic, magnetic, thermal and transport properties of single crystals of EuTiO₃ as well as doped system EuTi_1-xB_xO₃ (B = Zr, Nb) [Zr and Nb doped europium titanate] utilizing various experimental techniques and theoretical calculations.

The cubic to tetragonal structural transition in pure EuTiO₃ is characterized by a pronounced step-like softening of the elastic moduli near 288 K [kelvin], which resembles …

Development And Improvement Of Cerium Activated Gadolinium Gallium Aluminum Garnets Scintillators For Radiation Detectors By Codoping, Fang Meng

Doctoral Dissertations

Ce doped Gd3Ga3Al2O12 [gadolinium gallium aluminium oxides] is considered as a promising candidate for the next generation Positron Emission Tomography material due to its high light yield in theory. This dissertation is focused on studying the Gd3Ga3Al2O12:Ce crystals by codoping, aiming to improve the light yield and decay time experimentally and understand the underlying mechanism.

The work starts from prescreening appropriate codopants for Gd3Ga3Al2O12:Ce crystals. A cost-effective method is developed to predict the performance of the single crystals by characterizing the radioluminescence intensity and photoluminescence decay of the small polycrystalline pellets. This method is demonstrated by showing that the results …

Electronic Energy Loss Of Heavy Ions And Its Effects In Ceramics, Ke Jin

Doctoral Dissertations

Energy loss of medium energy heavy ions (i.e. Cl, Br, I, and Au) in thin compound foils containing light elements (i.e. silicon carbide and silicon dioxide) is directly measured using a time-of-flight elastic recoil detection analysis (ToF-ERDA) technique. An improved data analysis procedure is proposed to provide the experimentally determined electronic stopping powers. This analysis procedure requires reliable predictions of nuclear stopping. Thus, the nuclear stopping predicted by the Stopping and Range of Ions in Matter (SRIM) code is validated by measuring the angular distribution of 1 MeV Au ions after penetrating a thin silicon nitride foil, using a secondary …

Characterizing The Mechanical Behavior Of Single And Polycrystalline Silicon Carbide Using Nanoindentation., Amit Datye

Doctoral Dissertations

This research aims at enhancing the fundamental understanding of mechanisms controlling the deformation and fracture of silicon carbide based ceramics (single- and poly-crystal). The role of microstructure and material properties on the energy absorption capability of SiC is studied. This research helps to improve the ability to quantitatively predict the initiation and propagation of fracture and the interaction between fracture and plasticity, which provides a step towards a mechanistic understanding of deformation and failure properties of ceramic single crystals and polycrystals. The validity of the indentation-cracking method for toughness measurement is examined using nanoindentation tests with different indenters (spherical, pyramidal). …

Thermodynamic Modeling Of Uranium And Oxygen Containing Ternary Systems With Gadolinium, Lanthanum, And Thorium, Jacob Wesley Mcmurray

Doctoral Dissertations

The CALPHAD method is used to assess the thermodynamic properties and phase relations in the U-M-O system where M = Gd, La, and Th. A compound energy formalism (CEF) model for fluorite UO_2±x [urania] is extended to represent the complex U_1-yM_yO_2±x [urania solid solution] phases. The lattice stabilities for fictive GdO₂ [gadolinia] and LaO₂ [lanthana] fluorite structure compounds are calculated from density functional theory (DFT) for use in the CEF for U_1-yM_yO_2±x [urania solid solution phase] while U⁶⁺ [uranium 6 plus cation] is introduced into the …

Plastic Anisotropy Of Complex Crystals And Hierarchically Structured Alloys Using Micro-Mechanical Computational Analysis, Lin Li

Doctoral Dissertations

The material anisotropy is one of the most important material properties that cannot be disregarded in today’s world of materials designing and manufacturing. As new materials being developed and new material demands are introduced the inevitable focus on anisotropic materials has been brought under the spotlight. In this dissertation, several experimental and simulation project regarding material anisotropic effects on hexagonal close packed crystals such as Silicon Carbide as well and hierarchically structured solid solution ferritic based alloys. The general purpose was to demonstrate the improvement on various intended material properties using finite element method. Since indentation is a widely used …

Synthesis And Characterization Of Doped Mayenite As A Transparent Conducting Oxide, Sabina Nwamaka Ude

Doctoral Dissertations

Base and doped mayenite (Ca₁₂Al₁₄O₃₃) were synthesized using both solid-state and citrate gel techniques; and fired in air and reducing atmospheres. The prepared compositions were studied using neutron and x-ray diffraction at room temperature, high temperature x-ray diffraction (HTXRD), differential thermal analysis (DTA), scanning electron microscopy (SEM), digital optical microscopy, and Brunauer, Emmett and Teller (BET) surface area analysis. Electrically conductivity was measured on the Fe (iron) doped samples using a 2-point, after firing in a reducing atmosphere.

The HTXRD data on pure mayenite synthesized using citrate gel method and fired in air showed …

Laser Textured Calcium Phosphate Bio-Ceramic Coatings On Ti-6al-4v For Improved Wettability And Bone Cell Compatibility, Sameer R. Paital

Doctoral Dissertations

The interaction at the surfaces of load bearing implant biomaterials with tissues and physiological fluids is an area of crucial importance to all kinds of medical technologies. To achieve the best clinical outcome and restore the function of the diseased tissue, several surface engineering strategies have been discussed by scientific community throughout the world. In the current work, we are focusing on one such technique based on laser surface engineering to achieve the appropriate surface morphology and surface chemistry. Here by using a pulsed and continuous wave laser direct melting techniques we synthesize three dimensional textured surfaces of calcium phosphate …