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 …

Development And Characterization Of Stable Low-Cost Salt Hydrate-Based Phase Change Materials For Thermal Energy Storage Applications, Damilola Olayinka Akamo

Doctoral Dissertations

Energy storage technologies are gaining attention due to rising utilization of renewable energy sources. One of the viable energy storage technologies is thermal energy storage (TES) in which system stores and releases thermal energy for various uses. Applications for TES systems include building systems, space heating and cooling, and refrigeration. Several TES systems use phase change materials (PCMs) to operate near-isothermally owing to phase change latent heat. Inorganic salt hydrate PCMs are popular because to their inexpensive cost, high energy density, and near ambient phase transition temperature. However, salt hydrate PCMs have phase separation, low thermal conductivity, and supercooling issues …

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 …

Innovations In Aligned And Overmolded Long Fiber Thermoplastic Composites, Shailesh P. Alwekar

Doctoral Dissertations

Long fiber thermoplastic (LFT) composite materials are increasingly used in high performance lightweight automotive, sporting, and industrial applications. LFT composites are processed with extrusion-compression molding (ECM) and/or injection molding (IM). Melt extrusion offers unique opportunities to align long fibers in a thermoplastic polymer melt. The properties of LFT materials are highly influenced by processing techniques which leads to different porosity content, fiber length distribution, and fiber orientation distribution. Hence, it is important to understand the various LFT processing techniques and their effect on mechanical, thermal, and microscopic properties.

The fundamental process-property relationships in LFT composites are investigated in this dissertation. …

Assessing Mechanical Performance Of Dissimilar Steel Systems Made Via Wire-Arc Additive Manufacturing, Obed Daniel Acevedo

Masters Theses

Hot stamping is part of a specific type of metalworking procedure widely used in the automotive industry. This research seeks to help make hot stamp tooling component production more cost-effective by using large-scale additive manufacturing. Additive manufacturing can produce dissimilar steel components that can be more cost-effective and time-efficient and allow for complex geometries to be made. A dissimilar steel system consisting of 410 martensitic stainless steel and AWS ER70S-6 mild steel is proposed to make hot stamps, making them more cost-efficient. However, the material interface's mechanical behavior in 410SS-mild steel additively manufactured material systems is not well understood. This …

Structural Stability Of Thermosets During Material Extrusion Additive Manufacturing, Stian K. Romberg

Doctoral Dissertations

Over the past decade, the scale of polymer additive manufacturing has been revolutionized with machines that print massive thermoplastic parts with greater geometric complexity than can be achieved by traditional manufacturing methods. However, the heat required to print thermoplastics consumes energy and induces thermal gradients that can reduce manufacturing flexibility and final mechanical properties. With the ability to be extruded at room temperature and excellent compatibility with fibers and fillers, thermoset resins show promise to decrease the energy consumption, expand the manufacturing flexibility, and broaden the material palette offered by large-scale polymer additive manufacturing. However, structural instability in the uncured …

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, …

Resource-Saving Technologies For The Production Of Elastic Leather Materials: Collective Monograph, Olena Korotych, Anatolii Danylkovych, Serhii Bilinskyi, Serhii Bondarenko, Slava Branovitska, Vasyl Chervinskyi, Nataliia Khliebnikova, Alona Kudzieva, Viktor Lishchuk, Nataliia Lysenko, Olena Mokrousova, Nataliia Omelchenko, Vera Palamar, Yuliia Potakh, Oksana Romanyuk, Olga Sanginova, Oleksandr Zhyhotsky

Chemistry Publications and Other Works

This monograph contains a collection of recent research papers focusing on advancing existing technologies and developing new technologies to improve the environmentally friendliness and save resources during the production of elastic leather materials. The papers are organized based on the type of technological process used to preserve raw hides. A lot of attention is devoted to mathematical planning, simulations, and multicriteria optimization of the technological processes using newly developed chemical reagents. The monograph contains a complex study of physicochemical properties and characteristics of the resulting leather materials. The developed technologies were tested by the private joint-stock company Chinbar (Kyiv, Ukraine) …

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) …

Correlating Long-Term Lithium Ion Battery Performance With Solid Electrolyte Interphase (Sei) Layer Properties, Seong Jin An

Doctoral Dissertations

This study was conducted to understand effects of some of key factors (i.e., anode surface properties, formation cycling conditions, and electrolyte conditions) on solid electrolyte interphase (SEI) formation in lithium ion batteries (LIBs) and the battery cycle life. The SEI layer passivates electrode surfaces and prevents electron transfer and electrolyte diffusion through it while allowing lithium ion diffusion, which is essential for stable reversible capacities. It also influences initial capacity loss, self-discharge, cycle life, rate capability and safety. Thus, SEI layer formation and electrochemical stability are primary topics in LIB development. This research involves experiments and discussions on key factors …

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 …

Development Of Lignin Carbon Fiber And Reinforced Composites, Nathan Kieran Meek

Masters Theses

The aim of this work is to develop lignin carbon fiber for composite applications. This included mechanical testing of single lignin carbon fiber (LCF), interfacial shear strength determination for LCF-resin systems using single fiber fragmentation, x-ray diffraction for the evaluation of microstructural parameters, and finally composite manufacturing and testing. Through these focused areas of analysis, the carbon fiber is thoroughly characterized and composite performance is evaluated. This effort was a collaboration with the Center for Renewable Carbon (CRC) and the Civil and Environmental Engineering Department. LCF produced by the CRC resulted in fibers having tensile strength of 250-800 MPa and …

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 …

Impact Of Fuel Rod Coatings On Reactor Performance And Safety, Ian Robert Stewart

Masters Theses

This study evaluates the use of a ceramic coating on the Zr-alloy cladding within a PWR using four ceramic compounds of 5 and 10 micron thicknesses: ZrO2, TiAlN, Ti2AlC, and Ti3AlC2. The film’s impact is assessed for variation on: reactivity, fuel cycle length, maximum temperature, film’s roughness, and transient conditions. The reactivity is analyzed using the following methods: change in the multiplication factor (k) each film introduces to the system using the ABH method, and Monte Carlo software (MCNP). Both methods are in good agreement, yielding less than half a percent change from a reference, no-film fuel pin. In order …

Single Fiber Mechanical Properties Using Nano-Tensile Testing And Carbon Fiber Structure-Property Relationship, Matthew Erich Kant

Doctoral Dissertations

Single carbon fibers are studied using a nano-tensile testing system. This system has unprecedented load and displacement resolution, nN and nm respectively, and the ability to perform dynamic testing for storage and loss modulus during quasi-static tensile extension. Furthermore, improved fiber mounting and alignment procedures coupled with the precision of the nano-tensile testing system assist in unprecedented resolution in single fiber mechanical testing for axial modulus and strength. Hence, using these unique capabilities, the moduli and their statistical distribution of many high performance carbon fibers are reported here. From this, a simplified single parameter model describing the strain dependent modulus …

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 …

Nanolayer Polymeric Coatings To Enhance The Performance And Service Life Of Inorganic Membranes For High Temperature-High Pressure Biomass Pretreatment And Other Applications, Vincent C. Kandagor

Doctoral Dissertations

Membrane technology has become increasingly attractive in several applications including water filtration, food industry, oil and gas, and biomedical applications. Most recently the quest for renewable, bioenergy has called for use of membranes in biomass pretreatment and other stages of producing biofuel. The success and advancement of the membrane technology for these various applications has, however, been impeded by the fouling of membranes, which causes the pores in the microporous structure to block, resulting in reduced efficiency, and in some cases, total failure of the membranes system. This challenge leads to a tremendous increase in the cost of using membranes …

A Study Of Indentation Cracking In Brittle Materials Using Cohesive Zone Finite Elements, Kurt E. Johanns

Doctoral Dissertations

Cohesive zone finite element simulations of pyramidal indentation cracking in brittle materials have been carried out in order to: (1) critically examine indentation cracking models that relate fracture toughness to indentation data; (2) determine the underlying physical mechanisms of indentation crack growth from a continuum view and their relationship to material properties; (3) explore the influence of indenter geometry on crack extension; and (4) provide a platform from which future simulations can add more complex material behavior as well as guidance for experimental measurements of fracture toughness. Standard fracture toughness geometries in addition to simplified indentation geometries were simulated in …

Structural Analysis Of The Tablerock Thrust Sheet, Grandfather Mountain Window, Northwestern North Carolina: Emplacement Kinematics Of A Large Horse In A Major Thrust System, Ann Elizabeth Walker

Masters Theses

The Tablerock thrust sheet is exposed along the southwestern margin of Grandfather Mountain window in northwestern North Carolina, where it separates basement and cover rocks inside the window from basement thrust sheets of the overriding Blue Ridge-Piedmont megathrust sheet. It is a complex of footwall-derived horses of rifted-margin metasedimentary rocks, including Neoproterozoic to Early Cambrian Chilhowee Group quartzite and phyllite, and Shady Dolomite. Penetrative deformation throughout the Tablerock thrust sheet is defined by an extensively transposed foliation, and strong colinearity between well developed transport lineations and SE/NW-trending tight, isoclinal, and sheath folds. Centimeter- to meter-scale sheath folds are common throughout …

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 …

Structure And Morphology Of Sulfonated Polysulfone And Perfluorosulfonic Acid Ionomers, Chen Wang

Doctoral Dissertations

The limitations of conventional perfluorosulfonic acid (PFSA) based membrane materials have provoked the search for alternative materials which can function as the electrolyte in PEM fuel cells operated at higher temperatures (> 100 °C) and without humidification. A novel class of sulfonated poly(phenylene) sulfone (sPSO2) ionomers have shown much higher proton conductivity than typical PFSA membranes at elevated temperatures. In this dissertation, both computational and experimental methods were used to investigate proton transfer, morphological and structural properties of sPSO2 and PFSA ionomers. We have undertaken ab initio electronic structure calculations to understand the primary hydration and the transfer of protons …

Measurement Of Power-Law Creep Parameters By Instrumented Indentation Methods, Caijun Su

Doctoral Dissertations

New experimental methods have been developed to measure the uniaxial power-law creep parameters α [alpha] and n in the relation έ[epsilon dot]=α[alpha]σⁿ[sigma] (έ [epsilon dot] is the creep strain rate and σ [sigma] is the creep stress) from the load, time, displacement and stiffness data recorded during an instrumented indentation experiment performed with a conical or pyramidal indenter. The methods are based on an analysis of Bower et al., which relates the indentation creep rate to the uniaxial creep parameters based on simple assumptions about the constitutive behavior (Bower et al., 1993 …

Effect Of Moisture Absorption On The Sinter Quality Of Central Solenoid (Cs) Coil Pack, Zeshaan Sher Mohammed

Masters Theses

Fusion energy has been said to be the solution to all the world’s energy problems. The International Thermonuclear Experimental Reactor (ITER) is the flagship project to demonstrate the feasibility of fusion energy. The Central Solenoid (CS), an important component of the reactor, is needed to induce plasma current, initiate, ramp-up, ramp-down, and sustain plasma in a very controlled manner. In order to achieve this, the CS coil packs must be manufactured under controlled conditions. The CS conductor is an advanced cable-in-conduit Nb3Sn superconductor. The CS cable will be made in long continuous sections but with thousands of meter of cable …

Methods For Characterizing Mechanical Properties Of Wood Cell Walls Via Nanoindentation, Yujie Meng

Masters Theses

Nanoindentation is a method of contacting a material whose mechanical properties are unknown with another material whose properties are known. Nanoindentation has the advantage of being able to probe a material’s microstructure while being sensitive enough to detect variations in mechanical properties. However, nanoindentation has some limitations as a testing technique due to the specific formation and structure of some biomaterials. The main objective of this research is to identify any factors that influence the nanoindentation measurement of wood cell walls (a typical biomaterial).

The function of the embedding media in describing the properties of wood cells is poorly understood. …