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University of Tennessee, Knoxville

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Full-Text Articles in Engineering Science and Materials

Investigation Of Microstructure And Mechanical Behavior Of Novel Powder-Extruded Al-Ce-Mg Alloys, Mairym Vazquez Aug 2023

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 Dec 2022

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 …


Pinless Friction Stir Spot Welding Of Ti-6al-4v Alloy For Aerospace Application, Hyojin Park May 2022

Pinless Friction Stir Spot Welding Of Ti-6al-4v Alloy For Aerospace Application, Hyojin Park

Doctoral Dissertations

Friction Stir Spot Welding (FSSW) is a newly developed solid-state joining technique with considerable merits over conventional spot-welding techniques, such as relatively simple procedure and excellent welding properties. It has been successfully implemented for the joining of light-weight structural materials, such as Al- and Mg-based alloys, with superior weldability and reduction of the manufacturing costs and energy consumption. In addition, by removing the pin from the friction stir spot welding tool, the pinless FSSW (p-FSSW) has minimized the formation of welding defects such as keyhole and hooking, which resulted in further improvements in the mechanical properties of weldments. However, the …


Forecasting Nigeria's Electricity Demand And Energy Efficiency Potential Under Climate Uncertainty, Olawale Olabisi Dec 2021

Forecasting Nigeria's Electricity Demand And Energy Efficiency Potential Under Climate Uncertainty, Olawale Olabisi

Doctoral Dissertations

The increasing population and socio-economic growth of Nigeria, coupled with the current, unmet electricity demand, requires the need for power supply facilities expansion. Of all Nigeria’s electricity consumption by sector, the residential sector is the largest and growing at a very fast rate. To meet this growing demand, an accurate estimation of the demand into the future that will guide policy makers to adequately plan for the expansion of electricity supply and distribution, and energy efficiency standards and labeling must be made. To achieve this, a residential electricity demand forecast model that can correctly predict future demand and guide the …


Interfacial Bonding Between Thermoset And Thermoplastic Polyurethane Reinforced Textile Grade Carbon Fiber: Structure Property Relationships, Surbhi Subhash Kore Dec 2021

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 …


Structural Stability Of Thermosets During Material Extrusion Additive Manufacturing, Stian K. Romberg Dec 2021

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 …


Innovations In Aligned And Overmolded Long Fiber Thermoplastic Composites, Shailesh P. Alwekar Dec 2021

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 Dec 2021

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 …


Development Of Density-Functional Tight-Binding Methods For Chemical Energy Science, Quan Vuong Aug 2021

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 May 2021

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 …


Mechanics Of The Solid-State Bonding Under Severe Thermomechanical Processes, Xue Wang Dec 2020

Mechanics Of The Solid-State Bonding Under Severe Thermomechanical Processes, Xue Wang

Doctoral Dissertations

Friction stir welding (FSW) has found increased applications in automotive and aerospace industries due to its advantages of solid-state bonding, no fusion and melting, and versatility in various working conditions and material combinations. The extent and quality of the solid-state bonding between workpieces in FSW is the ultimate outcome of their industrial applications. However, the relationship among processing parameters, material properties, and bonding extent and fidelity remains largely empirical, primarily because of the lack of the mechanistic understanding of (1) tool-workpiece frictional behavior, and (2) bonding formation and evolution.

In this dissertation, to study the underlying mechanism of tool-workpiece frictional …


Development Of A Novel Casting Alloy Composed Of Aluminum And Cerium With Other Minor Additions, Zachary Cole Sims Dec 2020

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 Aug 2020

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 Dec 2017

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 Aug 2017

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 …


Angle Of Attack Determination Using Inertial Navigation System Data From Flight Tests, Jack Kevin Ly May 2017

Angle Of Attack Determination Using Inertial Navigation System Data From Flight Tests, Jack Kevin Ly

Masters Theses

Engineers and pilots rely on mechanical flow angle vanes on air data probes to determine the angle of attack of the aircraft in flight. These probes, however, are costly, come with inherent measurement errors, affect the flight characteristics of the aircraft, and are potentially dangerous in envelope expansion flights. Advances in the accuracy, usability, and affordability of inertial navigation systems allow for angle of attack to be determined accurately without direct measurement of the airflow around the aircraft. Utilizing an algorithm developed from aircraft equations of motion, a post-flight data review is completed as the first step in proving the …


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 Dec 2016

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 Dec 2016

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 …


Development And Application Of 3-D Fuel Performance Modeling To Assess Missing Pellet Surface Influence On Pellet Clad Interaction And Clad Failure, Nathan Allen Capps May 2016

Development And Application Of 3-D Fuel Performance Modeling To Assess Missing Pellet Surface Influence On Pellet Clad Interaction And Clad Failure, Nathan Allen Capps

Doctoral Dissertations

In the late 1970s PCI related failures caused the implementation of startup ramp restrictions. These ramp restrictions where intended to reduce the stresses caused by pellet cladding contact. These ramp restrictions had a significant impact on Westinghouse fueled PWRs, reducing PCI related failure until 2003. Through investigation into these fuel rod failures lead to the conclusion that missing pellet surfaces (MPS) were the root cause of the failures. MPS are local geometric defects in nuclear fuel pellets that result from pellet mishandling or the manufacturing process. The presence of MPS defects can cause stress concentrations in the clad of sufficient …


Modeling And Experimental Investigation On The Influence Of Radiation Defects On Helium Behavior In Bcc Iron, Zuya Huang May 2016

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 Dec 2015

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 …


Dynamic Simulation And Neuromuscular Control Of Movement: Applications For Predictive Simulations Of Balance Recovery, Misagh Mansouri Boroujeni May 2015

Dynamic Simulation And Neuromuscular Control Of Movement: Applications For Predictive Simulations Of Balance Recovery, Misagh Mansouri Boroujeni

Doctoral Dissertations

Balance is among the most challenging tasks for patients with movement disorders. Study and treatment of these disorders could greatly benefit from combined software tools that offer better insights into neuromuscular biomechanics, and predictive capabilities for optimal surgical and rehabilitation treatment planning. A platform was created to combine musculoskeletal modeling, closed-loop forward dynamic simulation, optimization techniques, and neuromuscular control system design. Spinal (stretch-reflex) and supraspinal (operational space task-based) controllers were developed to test simulation-based hypotheses related to balance recovery and movement control. A corrective procedure (rectus femoris transfer surgery) was targeted for children experiencing stiff-knee gait and how this procedure …


Development Of An Efficient Data Processing Procedure For The Prediction Of Cleavage Fracture In Reactor Pressure Vessel Steels Using The J-A2 Method, Phoebe E. Fogelman May 2015

Development Of An Efficient Data Processing Procedure For The Prediction Of Cleavage Fracture In Reactor Pressure Vessel Steels Using The J-A2 Method, Phoebe E. Fogelman

Chancellor’s Honors Program Projects

No abstract provided.


Energy Selective Neutron Imaging For The Characterization Of Polycrystalline Materials, Robin Woracek May 2015

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 …


Phase Dynamics Of Locset Control Methodology, Brendan Neschke May 2015

Phase Dynamics Of Locset Control Methodology, Brendan Neschke

Masters Theses

Single-mode fiber amplifiers produce diffraction-limited beams very efficiently. Maximum beam intensity requires that an array of these amplifiers have their beams coherently combined at the target. Optical path differences and noise adversely affect beam quality. An existing closed loop phase control methodology, called the locking of optical coherence by single-detector electronic-frequency tagging (LOCSET), corrects phase errors in real time by electronically detecting path length differences and sending signals to lithium niobate phase adjusters. Broadening the line-width using “jitter” of the input signal can increase the output power of an individual amplifier by suppressing nonlinearity. The system dynamics of LOCSET are …


Impact Of Fuel Rod Coatings On Reactor Performance And Safety, Ian Robert Stewart May 2015

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 Dec 2014

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 Aug 2014

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 May 2014

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 May 2014

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 …