Engineering Science and Materials Commons^™

Investigation Of Microstructure And Mechanical Behavior Of Novel Powder-Extruded Al-Ce-Mg Alloys, Mairym Vazquez

Doctoral Dissertations

Pursuing advanced structural materials with enhanced performance, reduced weight, and lower costs is a constant endeavor in the aerospace and automotive industries. Conventional structural alloys, such as cast irons, carbon steels, and titanium alloys, have strength, weight, and cost limitations. Aluminum-based alloys, known for their lightweight and high strength, have gained popularity in these industries. This dissertation focuses on investigating microstructure and mechanical behavior of novel powder-extruded Al-Ce-Mg alloys as potential candidates for high-performance structural materials.

This research explores using powder extrusion, a well-established forging methodology in the steel industry, to produce Al-Ce-Mg alloys with improved properties and aims to …

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 …

Interfacial Bonding Between Thermoset And Thermoplastic Polyurethane Reinforced Textile Grade Carbon Fiber: Structure Property Relationships, Surbhi Subhash Kore

Doctoral Dissertations

The research work focused on examining the interfacial adhesion of unsized, epoxy, and urethane-sized textile grade carbon fiber (TCF) reinforced in different classes of polyurethane (PU) thermoplastic (TPU) and thermoset (TSU) polyurethane (PU) through the structure-property relationship. The Carbon Fiber Technology Facility (CFTF) at Oak Ridge National Laboratory (ORNL) has produced TCF to reduce the cost of commercial-grade carbon fiber. The first part of the research examined the fundamental relationships between (a) soft segment thermoplastic polyurethane (S-TPU), (b) hard segment thermoplastic polyurethane (H-TPU), (c) thermoset polyurethane (TSU) and TCF reinforcement’s molecular behavior at the interface using the surface and thermal …

Development Of Density-Functional Tight-Binding Methods For Chemical Energy Science, Quan Vuong

Doctoral Dissertations

Density-functional tight-binding (DFTB) method is an approximation to the popular first-principles density functional theory (DFT) method. Recently, DFTB has gained considerable visibility due to its inexpensive computational requirements that confer it the capability of sustaining long-timescale reactive molecular dynamics (MD) simulations while providing an explicit description of electronic structure at all time steps. This capability allows the description of bond formation and breaking processes, as well as charge polarization and charge transfer phenomena, with accuracy and transferability beyond comparable classical reactive force fields. It has thus been employed successfully in the simulation of many complex chemical processes. However, its applications …

Process-Structure-Property Relationships In 3d-Printed Epoxy Composites Produced Via Material Extrusion Additive Manufacturing, Nadim S. Hmeidat

Doctoral Dissertations

Extrusion-based additive manufacturing (AM) technologies, such as direct ink writing (DIW), offer unique opportunities to create composite materials and novel multi-material architectures that are not feasible using other AM technologies. DIW is a novel 3D-printing approach in which viscoelastic inks, with favorable rheological properties, are extruded through fine nozzles and patterned in a filament form at room temperature.

Recent developments in DIW of polymer composites have led to expanding the range of materials used for printing, as well as introducing novel deposition strategies to control filler orientation and create improved functional/structural composite materials. Despite these substantial advancements, the successful and …

Development Of A Novel Casting Alloy Composed Of Aluminum And Cerium With Other Minor Additions, Zachary Cole Sims

Doctoral Dissertations

Eutectic casting alloys of aluminum and cerium are a recent discovery and early research describes an alloy with great potential to meet the growing demand for a lightweight, economical, high specific strength material for use in high-temperature or extremely corrosive environments. The broad application of aluminum alloys across industry sectors is driven by their collection of balanced properties including economical cost, high specific strength, and flexibility of their production pathways. Additionally, their high corrosion resistance makes them a good choice for structural materials. Despite this, the push to use aluminum alloys in ever more extreme environments with higher temperatures, stresses, …

Design And Development Of Strong And Ductile Single Bcc Refractory High-Entropy Alloys For High-Temperature Applications, Chanho Lee

Doctoral Dissertations

The objectives of this proposed study are to (1) design and develop single BCC phase refractory high-entropy alloys (HEAs) for the high-temperature applications, (2) investigate the deformation mechanisms of refractory HEAs, (3) improve an integrated approach, coupling focused experiments and theoretical modeling, to design, discover, and develop HEAs, and (4) understand the alloy design-microstructure-property-performance links underlying the mechanical behavior of refractory HEA systems for gas-turbine applications

A traditional alloy system generally includes one or two principal elements that form the matrix with other additional elements, e.g., iron or aluminum alloys, to strengthen some specific properties, such as strength and corrosion …

Modeling Of Dislocation Channel Formation And Evolution In Irradiated Metals, Peter James Doyle

Masters Theses

Defect-free dislocation channel formation has been reported to promote plastic instability during tensile testing via localized plastic flow, leading to a distinct loss of ductility and strain hardening in many low-temperature irradiated materials. In order to study the underlying mechanisms governing dislocation channel width and formation, the channel formation process is modeled via a simple stochastic dislocation-jog process dependent upon grain size, defect cluster density, and defect size. Dislocations traverse a field of defect clusters and jog stochastically upon defect interaction, forming channels of low defect-density. Based upon prior molecular dynamics (MD) simulations and in-situ experimental transmission electron microscopy (TEM) …

Microstructure Control And Correlation To Creep Properties In Grade 91 Steel Weldment After Thermo-Mechanical Treatments And An Fe-30cr-3al Alloy Strengthened By Fe2nb Laves Phase, Benjamin Allen Shassere

Doctoral Dissertations

Type IV cracking in weldments of steel pipes after creep deformation is a concern in modern fossil-fueled power plants. Two possible methods for minimizing or eliminating Type IV cracking will be discussed. The first method alters the initial microstructure of typical Grade 91 steel base metal before welding, while the second provides baseline microstructure characteristics and creep performance of a new alloy that is strengthened by the intermetallic Fe2Nb Laves phase. The initial microstructure of the Grade 91 steel can be controlled by Thermo-Mechanical Treatments, which aids in precipitation of fine (5-10 nm) MX particles in austenite before transformation to …

Modeling And Experimental Investigation On The Influence Of Radiation Defects On Helium Behavior In Bcc Iron, Zuya Huang

Masters Theses

Fe-based alloys are important structural materials for both fission and fusion energy. For fusion applications, the challenges of radiation-induced changes in microstructure, properties and performance is further challenged by the concomitant production of helium from (n, alpha) nuclear reactions and fusion reactions. Due to the lack of a volumetric, high flux 14-MeV neutron source, studying these phenomena require the use of computational materials modeling and novel experimental methods. In this thesis, molecular dynamics (MD) simulations was used to investigate the synergistic interactions of helium with prismatic dislocation loops characteristic of those observed in neutron irradiated iron to determine how the …

Failure Simulations At Multiple Length Scales In High Temperature Structural Alloys, Chao Pu

Doctoral Dissertations

A number of computational methodologies have been developed to investigate the deformation and damage mechanism of various structural materials at different length scale and under extreme loading conditions, and also to provide insights in the development of high-performance materials.

In microscopic material behavior and failure modes, polycrystalline metals of interest include heterogeneous deformation field due to crystalline anisotropy, inter/intra grain or phase and grain boundary interactions. Crystal plasticity model is utilized to simulate microstructure based polycrystalline materials, and micro-deformation information, such as lattice strain evolution, can be captured based on crystal plasticity finite element modeling (CPFEM) in ABAQUS. The comparison …

Energy Selective Neutron Imaging For The Characterization Of Polycrystalline Materials, Robin Woracek

Doctoral Dissertations

This multipart dissertation focuses on the development and evaluation of advanced methods for material testing and characterization using neutron diffraction and imaging techniques. A major focus is on exploiting diffraction contrast in energy selective neutron imaging (often referred to as Bragg edge imaging) for strain and phase mapping of crystalline materials. The dissertation also evaluates the use of neutron diffraction to study the effect of multi-axial loading, in particular the role of applying directly shear strains from the application of torsion. A portable tension-torsion-tomography loading system has been developed for in-situ measurements and integrated at major user facilities around the …

Radiation-Induced Radicals In Polyurea-Crosslinked Silica Aerogel, Benjamin Michael Walters

Masters Theses

Free radicals are atoms or molecules with an odd number of electrons in an outer shell. Since electrons typically occur in pairs, this leaves one electron that is unpaired. In seek of another electron to pair with, free radicals react with and steal electrons from neighboring molecules, which then become free radicals themselves. This can start a chain reaction, cascading into large scale damage.

Ionizing radiation can tear through molecules, just as bullets can tear through things that we see. If free radicals can be detected, and seen to increase in a material upon radiation exposure, this can indicate molecular …

An Automated Finite Element Analysis Framework For The Probabilistic Evaluation Of Composite Lamina Properties, Jonathan Phillips Weigand

Masters Theses

This thesis outlines the development of computational modeling tools used to predict the elastic properties of composite lamina from representative volume elements (RVE) using numerical methods. The homogenization approach involves the use of Gauss’s Theorem to simply the average volumetric strain integral into a surface integral containing which is defined by surface displacements and their direction. Simulations of RVEs under specific loading conditions (longitudinal tension or shear and transverse tension or shear) are then performed in the software package ABAQUS to obtain the surface displacements. It was found that obtaining quality meshes and applying periodic boundary conditions for each RVE …