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Full-Text Articles in Metallurgy

Process Intensification For Rare Earth Elements Adsorption By Resonant Vibratory Mixing, Oluwatosin Adebayo, Richard Ladouceur, Zainab Nasrullah May 2024

Process Intensification For Rare Earth Elements Adsorption By Resonant Vibratory Mixing, Oluwatosin Adebayo, Richard Ladouceur, Zainab Nasrullah

Graduate Theses & Non-Theses

The adsorption capacity for six rare earth elements (Lanthanum, Terbium, Neodymium, Dysprosium, Praseodymium, and Holmium) by biochar produced from hemp feedstock was investigated. An innovative approach to enhancing the adsorption of rare earth elements using biochar was studied and investigates the potential of resonant vibratory mixing (RVM) as a process intensification method compared to conventional mechanical mixing for the adsorption process. Hemp hurds as source of biomass was pyrolyzed to produce biochar at a temperature of 4500C for 60 minutes. The biochar was characterized by FTIR (Fourier Transform Infra-red), SEM (Scanning Electron Microscopy), Surpass 3 Electrokinetic solid surface analyzer, and …


Electrical Resistance Tomography Measurements In Column Flotation Of Pure Hydrophobic And Hydrophilic Systems, Vimeipha Vilayphone May 2024

Electrical Resistance Tomography Measurements In Column Flotation Of Pure Hydrophobic And Hydrophilic Systems, Vimeipha Vilayphone

Graduate Theses & Non-Theses

Column flotation was phenomenologically investigated with Electrical Resistance Tomography (ERT) as an uninterrupted instrument to measure gas holdup. Two-phase tests were performed to use the measurements for examining gas dispersion. Results were found to duplicate the findings in a previous thesis. With confidence attained in experimental procedures, three-phase tests were then performed to compare gas holdup with hydrophobic and hydrophilic solids. Hydrophobic solids included talc as well as dolomite with dodecyl amine (DDA) collector. Hydrophilic solids included dolomite as well as talc with carboxymethyl cellulose (CMC) depressant. Variables throughout the research included frother concentration and sparger size. Results showed gas …


The Characterization And Nanomechanical Properties Of Microstructurally Complex Systems, Kerry Ann Baker Jan 2024

The Characterization And Nanomechanical Properties Of Microstructurally Complex Systems, Kerry Ann Baker

Theses and Dissertations--Chemical and Materials Engineering

Since the dawn of civilization, the use of metals has played an integral role in the evolution of human society. Over the years, and with the introduction of new engineering and science, we have learned how to combine metals to create new metallic systems. We have expanded our understanding of dealloying and chemical reactions, and, in doing so, we created nanoporous metals. Our use of metals has evolved from basic alloys such as bronze and steel to more complex alloys such as multi-principal element alloys. Nanoporous gold is an advanced metallic system that can be created through the dealloying process. …


Improving Cast Steel Rail Coupler Fatigue Resistance Through Local Wire-Arc Additive Manufacturing, Andrew M. Bunge Jan 2024

Improving Cast Steel Rail Coupler Fatigue Resistance Through Local Wire-Arc Additive Manufacturing, Andrew M. Bunge

Dissertations, Master's Theses and Master's Reports

Every year, thousands of cast-steel railcar couplers suffer from corrosion-initiated fatigue cracking in similar areas of the coupler’s knuckle; between 2015 and 2018 about 90,000 knuckles were replaced, otherwise these couplers would have been at risk for unexpected failures. These types of couplers have been common in industrial use as early as 1932, hence it is desirable for a countermeasure to the fatigue cracking that does not involve significantly altering the geometry or casting process. Wire arc additive manufacturing (WAM) is a developing technology which boasts the ability to produce complex near-net-shape components; however, less attention has been paid to …


Thermomechanical Process Simulation And Quantification Of Nanoscale Precipitation Influencing Ductility And Strength During Alloy Processing, Alyssa Stubbers Jan 2024

Thermomechanical Process Simulation And Quantification Of Nanoscale Precipitation Influencing Ductility And Strength During Alloy Processing, Alyssa Stubbers

Theses and Dissertations--Chemical and Materials Engineering

Experimental process simulation and quantification of microstructure development during processing are challenging due to limitations with machinery temperature capability, inadequate resolution and sampling volume of currently available characterization techniques, and difficulty characterizing material microstructures as close to processing-relevant conditions as possible. This dissertation addresses how process simulation can be performed using Gleeble thermomechanical technologies and how microstructure development during these processing simulations can be quantified both in-situ and ex-situ.

The first portion of this dissertation demonstrates how Gleeble technologies can be applied to simulate complex material processing conditions in order to produce process-property profiles that can be used to inform …


Nickel Superalloy Composition And Process Optimization For Weldability, Cost, And Strength, Sophie A. Mehl Jan 2024

Nickel Superalloy Composition And Process Optimization For Weldability, Cost, And Strength, Sophie A. Mehl

Dissertations, Master's Theses and Master's Reports

To advance sustainability efforts, electric power plants have reduced specific carbon dioxide emissions by increasing operating temperatures and pressures to improve power generation efficiency. The latest improvements are utilized in advanced ultra-supercritical power generation. To meet these operating conditions, nickel superalloys are used in the highest temperature components; however, they are expensive and present weldability challenges. This project aims to experimentally optimize a nickel superalloy to improve material weldability and decrease cost without compromising strength. Three optimized compositions were developed, and their microstructures and mechanical properties were compared to Nimonic 263, a common nickel superalloy in electric power plants. The …


Stress Relaxation Cracking In 347h Austenitic Steel Weldments Under Various Heat Treatments: Experiments And Modeling, Yi Yang Dec 2023

Stress Relaxation Cracking In 347h Austenitic Steel Weldments Under Various Heat Treatments: Experiments And Modeling, Yi Yang

Doctoral Dissertations

347H austenitic stainless steel exhibits exceptional creep and corrosion resistance, rendering it an exemplary candidate for pipeline materials, particularly in mid- to high-temperature working conditions. However, due to constraints in component dimensions, welding has been chosen as the preferred method for joining pipeline systems extensively employed in nuclear power plants, fossil fuel plants, and petrochemical companies. The welding process entails the accumulation of residual stress during the cooling stage, along with the introduction of microstructure evolution. Moreover, the residual stress field and microstructure continuously evolve under service conditions, thereby intensifying the susceptibility of crack initiation and propagation. The initial residual …


Temperature Gradient Effect On Solid-Liqid Interface Properties Of Al-Cu Alloy: A Molecular Dynamics Study, Prashant Kumar Jha Dec 2023

Temperature Gradient Effect On Solid-Liqid Interface Properties Of Al-Cu Alloy: A Molecular Dynamics Study, Prashant Kumar Jha

All Theses

Aluminum-copper (Al-Cu) alloys are widely used in the aerospace industry due to their favorable strength-to-weight ratio, good fatigue resistance, and corrosion resistance. These properties make Al-Cu alloys an excellent choice for aircraft structural components that require high strength and low weight. Additive manufacturing (AM), also known as 3D printing, has emerged as a promising processing method for Al-Cu alloys in aerospace manufacturing. AM enables the production of lightweight optimized geometries difficult to manufacture through conventional subtractive methods. AM also reduces material waste by only depositing material where needed in the part geometry. The rapid solidification conditions in AM processes motivate …


An Investigation Into The Challenges Of Contemporary Additive Manufacturing: Insights Into The Metallurgical Response Of Materials And Relevant Solution, Huan Ding Nov 2023

An Investigation Into The Challenges Of Contemporary Additive Manufacturing: Insights Into The Metallurgical Response Of Materials And Relevant Solution, Huan Ding

LSU Doctoral Dissertations

Additive Manufacturing (AM) has gained attention in recent years due to its unique capabilities in the fabrication of complex parts. As with any new research, there is still a lack of sufficient understanding in the field of additive manufacturing, and further investigation is needed to solve existing problems. Ultimately, the aim is to enable the widespread use of AM components across various industries.

Chapter One provides a brief introduction to the background and current bottlenecks of additive manufacturing technology. Chapter two focuses on the development of high-strength 7075 aluminum alloy (Al7075) for Fused Deposition Modeling and Sintering (FDMS) technology. Al7075 …


Additive Manufacturing Of High-Performance Nanolamellar Eutectic High-Entropy Alloys, Jie Ren Aug 2023

Additive Manufacturing Of High-Performance Nanolamellar Eutectic High-Entropy Alloys, Jie Ren

Doctoral Dissertations

Additive manufacturing, also called three-dimensional (3D) printing, is an emerging technology for printing net-shaped components layer by layer for applications in automotive, aerospace, biomedical and other industries. In addition to the vast design freedom offered by this approach, metal 3D printing via laser powder-bed fusion (L-PBF) involves large temperature gradients and rapid cooling and provides exciting opportunities for producing microstructures and mechanical properties beyond those achievable by conventional processing routes. Although these extreme printing conditions enable microstructural refinement to the nanoscale for achieving high strength. However, high-strength nanostructured alloys by laser additive manufacturing often suffer from limited ductility. Eutectic high-entropy …


Characterization Of Residual Stress And Precipitate Evolution In Aluminum 2xxx Self-Reacting Friction Stir Welds, Benjamin Joe Wing Aug 2023

Characterization Of Residual Stress And Precipitate Evolution In Aluminum 2xxx Self-Reacting Friction Stir Welds, Benjamin Joe Wing

Doctoral Dissertations

2xxx series aluminum alloys possess attractive properties for structural aerospace applications including high strength to weight ratio, corrosion resistance, and stable cryogenic performance. Solid state joining processes are often employed to reduce weld defects and improve weld performance/consistency as many alloys of this range have poor weldability for traditional fusion based joining techniques. One such process, self-reacting friction stir welding (SRFSW) allows for consistent high-quality, welding of large and curved articles is often used in the construction of large structures such as launch vehicle liquid propellant tanks.

Despite the merits of this process, joint softening (a decrease in mechanical properties …


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 …


Fatigue And Fracture Of Electron Beam Melting Ti-6al-4v, William A. Grell Aug 2023

Fatigue And Fracture Of Electron Beam Melting Ti-6al-4v, William A. Grell

Electronic Theses and Dissertations

For applications in the aerospace field, selection of materials for a given design requires an understanding of critical properties, like fatigue and fracture, in addition to static mechanical and physical properties. With the ongoing advancements in metallic additive manufacturing techniques and the interest in applying the process to aerospace applications, there is a clear need to fully characterize properties. Arguably, the most attractive alloy for applications in aerospace is the Ti-6Al-4V alloy. The current dissertation examines the mechanical properties of the alloy, made by the Electron Beam Melting (EBM) Powder Bed Fusion (PBF) method. As illustrated in this work, the …


Refractory High-Entropy Alloys: Design, Fabrication, Characterization, And Nanoparticle Synthesis, John Hutson Whitlow Aug 2023

Refractory High-Entropy Alloys: Design, Fabrication, Characterization, And Nanoparticle Synthesis, John Hutson Whitlow

Masters Theses

High-Entropy Alloys have been a highly researched area of metals ever since their introduction in 2004 by Brian Cantor and Jien-Weh Yeh. In the continued research of High-Entropy Alloys (HEAs), a specific area concerning Refractory High-Entropy Alloys (RHEAs) has emerged for their high-temperature applications. Although RHEAs have maintained high strength and toughness at high temperatures, their low ductility still needs to be addressed. A dataset was created to find correlations between various characteristics of RHEAs and their composition. A set of seven compositions were selected and fabricated. Mechanical tests were run on the seven compositions, and a proposal was written …


Failure Analysis Of Variably Sized 4340 Steel Mandrels Utilized In The Production Of Seamless Superalloy Rings Through The Vertical Ring Rolling Process, Mikhail Alexeyevich Vasilyev, Joshua Brady Venz Jun 2023

Failure Analysis Of Variably Sized 4340 Steel Mandrels Utilized In The Production Of Seamless Superalloy Rings Through The Vertical Ring Rolling Process, Mikhail Alexeyevich Vasilyev, Joshua Brady Venz

Materials Engineering

Vertical ring rolling is a forging process which forms seamless metal rings through applying a large force at elevated temperatures onto component materials stabilized by cylindrical mandrels. Carlton Forge Works, a company which produces rings of superalloy materials such as INCO718 and 718Plus, is experiencing a consistent failure of mandrels due to extreme conditions. An analysis of the lifetime (bulk material, heat treatment, and use) was performed, which aided in the identification of process variables tied to mandrel failure. Experiments were formed surrounding three variables of the mandrel heat treatment: Austenitization temperature, quenching temperature, and tempering conditions, with the goal …


Investigation Into Oxygen Diffusion As It Relates To Alpha Case Formation In Ti-6al-4v Based On Different Forging Thermal Cycles, Tyler J. Meador, Jon Leduc, Francesca Hope Jun 2023

Investigation Into Oxygen Diffusion As It Relates To Alpha Case Formation In Ti-6al-4v Based On Different Forging Thermal Cycles, Tyler J. Meador, Jon Leduc, Francesca Hope

Materials Engineering

An investigation into the growth kinetics of alpha case in Ti-6Al-4V in the presence of oxygen was conducted for different forging thermal cycles. This was done to determine whether the alpha case should be removed after each thermal cycle or as the final step after forging. The thermal cycles consisted of four hours at 1750 °F. Samples were subjected to this treatment one, two, three, and four times along with a continuous sixteen hour hold. Four cycle and Hold samples were subjected to an additional thermal cycle above the beta transus at 1925 °F. These then went through a final …


Improving The Tensile Mechanical Properties Of Direct Energy Deposited (Ded) Inconel 718 Aircraft Components Using A Standard Heat Treatment, Spencer Vincent Flynn Jun 2023

Improving The Tensile Mechanical Properties Of Direct Energy Deposited (Ded) Inconel 718 Aircraft Components Using A Standard Heat Treatment, Spencer Vincent Flynn

Materials Engineering

This project aimed to improve the mechanical properties of as-printed additively manufactured Inconel 718 samples using a heat treatment usually used for cast and wrought Inconel 718. The mechanical properties sought to be optimized were yield strength, ultimate tensile strength, elongation, and reduction in area. The property goals were to match or exceed those of cast and heat treated Inconel 718. Wire-fed electron beam direct energy deposition (DED) was used to manufacture the samples, which were then heat treated using the AMS 5663 standard in an inert atmosphere. The samples were then tested in tension to obtain data on their …


A Study Of The Effect Of Machine Parameters On Defects Produced In Eos Additive Manufacturing Builds, Tina White Malone May 2023

A Study Of The Effect Of Machine Parameters On Defects Produced In Eos Additive Manufacturing Builds, Tina White Malone

Doctoral Dissertations

5Additive Manufacturing (AM) is defined in the American Society for Testing and Materials (ASTM) standard F2792 as “a process of joining materials to make objects from 3D model data, usually layer upon layer, as opposed to subtractive manufacturing methodologies. It provides an advanced method for building complex geometries and parts for high performance with a significant cost savings. 55It’s advantages include the reduced need for tools and molds commonly used in manufacturing, a large reduction in wasted material, much shorter manufacturing cycles for the building of hardware, and its uniquely inherent ability to produce much more complex shapes. …


Al-Ce-Mn Solidification Phase Selection And Solid-State Phase Transformations, Kevin Dean Sisco May 2023

Al-Ce-Mn Solidification Phase Selection And Solid-State Phase Transformations, Kevin Dean Sisco

Doctoral Dissertations

The design of Al alloys has become an important topic in Additive Manufacturing (AM). The adoption of Al alloys to AM has been difficult because traditional alloys are prone to processing related defects such as solidification cracking. The Al-10Si-Mg alloy was initially adopted because of its resistance to solidification cracking. However, the Al-10Si-Mg alloy has reduced tensile properties especially at high temperatures, where the silicon phase coarsens readily. Therefore, efforts have been made to design new Al alloys that can take advantage of the AM processing. The goal of new alloys is to optimize based on rapid solidification conditions, while …


Mesoscale Modeling And Machine Learning Studies Of Grain Boundary Segregation In Metallic Alloys, Malek Alkayyali May 2023

Mesoscale Modeling And Machine Learning Studies Of Grain Boundary Segregation In Metallic Alloys, Malek Alkayyali

All Dissertations

Nearly all structural and functional materials are polycrystalline alloys; they are composed of differently oriented crystalline grains that are joined at internal interfaces termed grain boundaries (GBs). It is well accepted that GB dynamics play a critical role in many phenomena during materials processing or under operating environments. Of particular interest are GB migration and grain growth processes, as they influence many crystal-size dependent properties, such as mechanical strength and electrical conductivity.

In metallic alloys, GBs offer a plethora of preferential atomic sites for alloying elements to occupy. Indeed, recent experimental studies employing in-situ microscopy revealed strong GB solute segregation …


Classification Of Electrical Current Used In Electroplastic Forming, Tyler Grimm May 2023

Classification Of Electrical Current Used In Electroplastic Forming, Tyler Grimm

All Dissertations

Electrically assisted manufacturing (EAM) is the direct application of an electric current to a workpiece during manufacturing. This advanced manufacturing process has been shown to produce anomalous effects which extend beyond the current state of modeling of thermal influences. These purported non-thermal effects have collectively been termed electroplastic effects (EPEs).

While there is a distinct difference in results between steady-state (ideal DC) testing and pulsed current testing, the very definition of these two EAM methods has not been well established. A "long" pulse may be considered DC current; a "short" pulse may produce electroplastic effects; and even "steady-state" current shapes …


Surface Corrosion Response Of Al Alloys A383 And Aural 2 With Ce Additions In Aqueous Nacl And Salt-Fog Environments, Michael James Thompson May 2023

Surface Corrosion Response Of Al Alloys A383 And Aural 2 With Ce Additions In Aqueous Nacl And Salt-Fog Environments, Michael James Thompson

Masters Theses

Copper is commonly used in aluminum alloys to increase its strength by solid solution and precipitation strengthening, however, the corrosion resistance is inversely related to the amount of copper in the alloy. Over 70 percent of material used to produce aluminum alloys in the US come from recycled (secondary) alloys, many of which have a copper content of more than one percent by weight. Alloys with tightly controlled tolerances, where copper is seen as an impurity, are unable to utilize many of the recycling feedstock without adding newly processed (primary) aluminum to dilute impurities to within specifications. Primary aluminum is …


Mechanical Characterization Of Additively Manufactured Alloys Compared To Their Wrought Counterparts, Laith A. Alqawasmi Apr 2023

Mechanical Characterization Of Additively Manufactured Alloys Compared To Their Wrought Counterparts, Laith A. Alqawasmi

Mechanical Engineering ETDs

Additive manufacturing is a method of manufacturing based on building parts layer by layer, allowing for more control over shape of the product, therefore reducing machining costs, reducing material waste, faster production times and the ability to build complex engineering design that other manufacturing technologies won’t be able to produce. This research is on the tensile and indentation testing (following ASME standards) of 3D printed Ti-6Al-4V and Inconel 718 built by powder-based direct energy deposition technology. Ti-6Al-4V is an attractive material for the aerospace and aviation industry, and Inconel 718, a nickel-chromium based superalloy, is an attractive material for usage …


Physics-Based Crystal Plasticity Model For Predicting Microstructure Evolution And Dislocation Densities, Juyoung Jeong Mar 2023

Physics-Based Crystal Plasticity Model For Predicting Microstructure Evolution And Dislocation Densities, Juyoung Jeong

LSU Doctoral Dissertations

This work presents three different studies investigating plastic deformation mechanisms in metals and alloys using crystal plasticity finite element (CPFE) modeling. The first study presents a new nonlocal crystal plasticity model for face-centered cubic single crystals under heterogeneous inelastic deformation. The model incorporates generalized constitutive relations that incorporate the thermally activated and drag mechanisms to cover different kinetics of viscoplastic flow in metals and describes the plastic flow and yielding of single-crystals using dislocation densities. The model is compared to micropillar compression experiments for copper single crystals and clarifies the complex microstructural evolution of dislocation densities in metals. The second …


Use Of Electrochemical Techniques And Statistical Analysis To Investigate The Pitting Probability Of Copper, Sina Matin Mar 2023

Use Of Electrochemical Techniques And Statistical Analysis To Investigate The Pitting Probability Of Copper, Sina Matin

Electronic Thesis and Dissertation Repository

The development of a safe permanent disposal plan is essential for the long-term disposal of used fuel bundles. Nuclear Waste Management Organization (NWMO) has been investigating the deep geologic disposal of nuclear waste which offers the optimum passive safety system with a negligible probability of release of radionuclides into the environment.

The proposed used fuel containers (UFC) for the permanent disposal of high-level nuclear waste in Canada is comprised of a carbon steel vessel coated with a 3 mm corrosion-resistant copper layer deposited using a combination of electrodeposition and cold spray deposition. Although copper is often considered to be thermodynamically …


Atomistic Simulation Studies Of Thin Film Growth And Plastic Deformation In Metals And Metal/Ceramic Nanostructures, Reza Namakian Feb 2023

Atomistic Simulation Studies Of Thin Film Growth And Plastic Deformation In Metals And Metal/Ceramic Nanostructures, Reza Namakian

LSU Doctoral Dissertations

Despite the significant improvements in manufacturing and synthesis processes of metals and ceramics in the past decades, there are still areas in which the procedure is still frequently more of an art or skill rather than a science. Therefore, systematic and combined experimental and computational studies are required to facilitate the development of techniques that offer thorough understanding of the events taking place during manufacturing and synthesis processes. With regard to these issues, it is paramount to address microscale characterizations and atomic scale understanding of the events during fabrication processes. One of the focuses of this study is unraveling fundamental …


Investigation Of Oxidation And Corrosion Resistance Of Ni-Based Alloys And Stainless Steels Under Co2 Environments At Elevated Temperatures, Spencer Roy Fultineer Jan 2023

Investigation Of Oxidation And Corrosion Resistance Of Ni-Based Alloys And Stainless Steels Under Co2 Environments At Elevated Temperatures, Spencer Roy Fultineer

Graduate Theses, Dissertations, and Problem Reports

High mechanical strength integrity, high robustness towards oxidation, and high resistance to carburization under CO2 environments at elevated temperatures are usually required for metallic systems that are employed for power generation. INCONEL 625 is a nickel-based superalloy that started development in the 1950s. This material was designed with the distinct purpose of use in high-temperature and high-pressure systems. While various materials possess the physical properties to handle these conditions, the creation of IN625 addresses the need for a material to withstand the highly corrosive properties of these kinds of environments. In order to evaluate the oxidation and corrosion resistance of …


Effect Of Sc On Recrystallization Resistance Of Aa7050, Keaton Schmidt Jan 2023

Effect Of Sc On Recrystallization Resistance Of Aa7050, Keaton Schmidt

Dissertations, Master's Theses and Master's Reports

The extrusion process involves high temperatures and strains that can result in undesirable microstructures, especially along the surface. Extruded alloys tend to exhibit surface recrystallization during heat treating at regions of higher strains, which can lead to reduced fatigue strength and corrosion resistance. By adding Sc to AA7050, nano-sized dispersoids are formed with Sc cores and Zr shells that restrict recrystallization more than the base alloy that only utilizes Zr. Billets with varying Sc content and a control with only Zr were cast, and extrusions were made in order to compare surface microstructures at varying strains in the as-extruded and …


Optimizing The Extrudability Of 6082 Aluminum By Varying The Magnesium And Silicon Concentration, Eli A. Harma Jan 2023

Optimizing The Extrudability Of 6082 Aluminum By Varying The Magnesium And Silicon Concentration, Eli A. Harma

Dissertations, Master's Theses and Master's Reports

Alloy 6082 aluminum is used for high-volume manufacturing in the automotive industry due to its high strength, impact performance, and corrosion resistance. However, given these improved properties, the alloy has decreased formability compared to other 6xxx series alloys, especially in the extrusion process. Controlling the dynamic recovery and recrystallization properties by changing the additions of Mg and Si can improve the hot deformation properties. Five alloys of varying Mg and Si concentrations between 0.6 to 1.2wt% Mg and 0.7 to 1.3wt% Si were made with constant concentrations of Cr, Fe, and Mn and the same homogenization heat treatment. The proposed …


Application Of Multi-Scale Computational Techniques To Complex Materials Systems, Mujan N. Seif Jan 2023

Application Of Multi-Scale Computational Techniques To Complex Materials Systems, Mujan N. Seif

Theses and Dissertations--Chemical and Materials Engineering

The applications of computational materials science are ever-increasing, connecting fields far beyond traditional subfields in materials science. This dissertation demonstrates the broad scope of multi-scale computational techniques by investigating multiple unrelated complex material systems, namely scandate thermionic cathodes and the metallic foam component of micrometeoroid and orbital debris (MMOD) shielding. Sc-containing "scandate" cathodes have been widely reported to exhibit superior properties compared to previous thermionic cathodes; however, knowledge of their precise operating mechanism remains elusive. Here, quantum mechanical calculations were utilized to map the phase space of stable, highly-faceted and chemically-complex W nanoparticles, accounting for both finite temperature and chemical …