Metallurgy Commons^™

Atomistic Calculations Characterizing Thermodynamic And Mechanical Properties Of High Entropy Alloys, Sarah O'Brien

Theses and Dissertations--Chemical and Materials Engineering

High entropy alloys (HEAs) are an exciting new class of materials. HEAs combine multiple elements in concentrations ranging from 5% to 35%. The large variation in concentrations increases the alloy’s entropy, stabilizing it. The stabilization is due to both an increased configurational entropy and increases the vibrational entropy when the alloy is at higher temperatures. This was seen for both MoNbTaW and FeNiMoW by combining the atomistic techniques: density functional theory (DFT) and density functional perturbation theory (DFPT). For MoNbTaW, the composition plays a large role in stabilizing the alloy over the configuration of elements. For the three-phase alloy, FeNiMoW, …

Characterization Of The Solid-State Bonding For Simulated Charge And Seam Welds In The Porthole Die Extrusion Process, Randall L. Bowers

Theses and Dissertations--Chemical and Materials Engineering

The isothermal (ISO-T) compression configuration is ideal for utilizing as a material input of flow stress at temperature and strain rate in models of the porthole die extrusion process due to the isothermal nature of the test. Micro-tensile testing was conducted to validate the solid-state welding integrity of the ISO-T samples at various temperatures and strain rates. Results of the mechanical testing were correlated with fractography and microstructural evaluations of the welds to confirm bonding behavior. Both clean interface conditions and oxidation and lubrication layers were evaluated to simulate the difference of seam and charge welds in the process. Results …

Combinatorial Thin Film Approach To Accelerate Materials Discovery: Development Of Nanoporous And Bulk Multi-Principal Element Alloys, Tibra Das Gupta

Theses and Dissertations--Chemical and Materials Engineering

Multi-principal element alloys (MPEAs) have garnered significant attention in materials science due to their potential for exhibiting a combination of desirable properties stemming from their unique configurational entropy. While early research focused on equiatomic compositions, recent studies have indicated that non-equiatomic MPEAs may offer superior mechanical performance. However, the identification of optimal non-equiatomic compositions remains challenging due to the vast compositional space and the reliance on time-consuming and computationally expensive methods. This dissertation presents a combinatorial thin film approach as a rapid and efficient strategy for discovering two types of materials: nanoporous and bulk MPEAs.

The first study explores the …

Microstructural Characterization Of Complex Metal Alloy Systems With A Focus On Electron Microscopy, Alexandra Allamon

Theses and Dissertations--Chemical and Materials Engineering

Multi-principal element alloys (MPEAs)/high-entropy alloys (HEAs) are a class of materials that provide novel and superior combinations of properties, with promise for use in challenging application areas that many of the current established materials cannot fit. With a higher number of constituent elements, many of the newly created alloys are compositionally complex in nature, known to contain combinations of relatively soft FCC phases, hard BCC phases, and, in some cases, even harder intermetallic phases. Microstructural study of these new materials is essential to understanding the enhanced properties they may possess, but their complexity can make this study much more challenging …

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. …

Advancing Combinatorial Screening Of Refractory High Entropy Alloys Through Intrinsic Ductility Assessment Via Thin Film Fragmentation Testing, Taohid Bin Nur Tuhser

Theses and Dissertations--Chemical and Materials Engineering

High Entropy Alloys (HEAs), also known as Multiprincipal Element Alloys (MPEAs), represent a paradigm shift in alloy design. Unlike traditional practices that limit compositions to the edges of phase diagrams, HEAs exploit equiatomic mixing of five or more elements at the center of phase diagrams to maximize configurational entropy. This unconventional approach exponentially expands the spectrum of potential alloy compositions, rendering conventional experimental methods inadequate for exploring this extensive compositional space.

In response to these challenges, the scientific community has shown a growing interest in high-throughput techniques, encompassing both computational and experimental domains. Particularly, Refractory High Entropy Alloys (RHEAs) have …

Microstructural Investigation Of The Influence Of Geometry On The Mechanical Reliability Of Additively Manufactured Metals, Tracy Connor Varney

Theses and Dissertations--Chemical and Materials Engineering

The adoption of additive manufacturing across a wide range of fields is ever-increasing, allowing for solutions that were previously impossible to achieve. This dissertation demonstrates the wide range of macro- and micro- characterization techniques used to investigate several precipitation strengthened AM alloy systems. While AM allows for nearly unlimited design freedom, this brings along its own issues as the interplay between scan strategy and part geometry is less well known. In this work, a novel thin-wall dogbone geometry was utilized to study one type of complex geometry observed in a large portion of AM focused designs. The mechanical behavior of …

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 …

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 …

Derivation, Exploration And Evaluation Of Non-Equiatomic High Entropy Alloys, Artashes Ter-Isahakyan

Theses and Dissertations--Chemical and Materials Engineering

High-entropy alloys (HEAs) are a class of multicomponent alloys based on an innovative alloying strategy that employs multi-principle elements in relatively high concentrations. Commonly defined as alloys that contain at least five principal elements, each with a concentration between 5 and 35 at %. The term entropy refers to the excess configurational entropy associated with HEAs, which is thought to facilitate the formation of solid solutions. The design strategy results in vast compositional space for exploration and innovative potential triggering a renaissance in physical metallurgy. These alloys may have favorable properties compared to conventional dilute solid solutions, but their preeminent …

Combinatorial Screening Approach In Developing Non-Equiatomic High Entropy Alloys, Azin Akbari

Theses and Dissertations--Chemical and Materials Engineering

High entropy alloys (HEA) are a relatively new group of alloys first introduced in 2004. They usually contain 5 to 6 different principle elements. Each of these elements comprise 5-35 at. % of the chemical composition of the alloy. There is a growing interest in the research community about the development of these alloys as well as their engineering applications. Some HEAs have interesting properties that have made them well suited for higher temperature applications, particularly refractory uses, while some have been shown to maintain their mechanical properties even at cryogenic temperatures.

Initially, the HEA research was focused on developing …

A Microstructure-Based Model Validated Experimentally For Quantification Of Short Fatigue Crack Growth In Three-Dimensions, Pei Cai

Theses and Dissertations--Chemical and Materials Engineering

Built on the recent successes in understanding the crystallographic mechanism for short fatigue crack (SFC) growth across a grain boundary (GB) and developing an experimental method to quantify the GB resistance against short crack growth, a microstructure-based model was developed in this study to simulate the growth behaviors of SFCs in 3-D, by taking into account both the driving force and resistance along at each point along the crack front in an alloy. It was found that the GB resistance was a Weibull function of the minimum twist angle of crack deflection at the boundary in AA2024-T3 Al alloys. In …

The Formation Mechanism Of Α-Phase Dispersoids And Quantification Of Fatigue Crack Initiation By Experiments And Theoretical Modeling In Modified Aa6061 (Al-Mg-Si-Cu) Alloys, Gongwang Zhang

Theses and Dissertations--Chemical and Materials Engineering

AA6061 Al alloys modified with addition of Mn, Cr and Cu were homogenized at temperatures between 350 ^ºC and 550 ^ºC after casting. STEM experiments revealed that the formation of α-Al(MnFeCr)Si dispersoids during homogenization were strongly affected by various factors such as heating rate, concentration of Mn, low temperature pre-nucleation treatment and homogenization temperature. Through analysis of the STEM results using an image software Image-Pro, the size distributions and number densities of the dispersoids formed during different annealing treatments were quantitatively measured. It was revealed that increasing the heating rate or homogenization temperature led to a reduction of …

Synthesis And Characterization Of Magnesium - Titanium Composites By Severe Plastic Deformation, Baleegh Alobaid

Theses and Dissertations--Chemical and Materials Engineering

Magnesium alloys are widely used in engineering applications, including aerospace and automobile industries, due to their desirable properties, such as lower density, high damping capacity, relatively high thermal conductivity, good machinability, and recyclability. Researchers have, therefore, been developing new magnesium materials. However, mechanical and corrosion properties are still limiting many commercial applications of magnesium alloys. In this Ph.D. thesis research, I developed Mg-Ti composite materials to offer some solutions to further improve the mechanical behavior of magnesium, such as titanium-magnesium (Ti-Mg) claddings, Mg-Ti multilayers, and Ti particle enforced Mg alloys. Low cost manufacturing processes, such as hot roll-bonding (RB) and …

Nanomechanical And Scaling Behavior Of Nanoporous Gold, Nicolas J. Briot

Theses and Dissertations--Chemical and Materials Engineering

Nanoporous metals have recently been drawn significant interest in various fields of research. Their high surface-to-volume ratio present a strong potential for applications in sensing, catalysis, micro-electromechanical systems (MEMS) and even in the medical field. However, the mechanical properties of nanoporous metals have not yet been well determined, as conducting mechanical tests was found to be challenging. Scaling relations linking the mechanical properties of porous materials to those of their dense counterparts are successfully and widely used for many porous metals. However, their applicability to nanoporous metals have recently been questioned, as estimations from the classic scaling relations were found …

Engineered Surface Properties Of Porous Tungsten From Cryogenic Machining, Julius M. Schoop

Theses and Dissertations--Chemical and Materials Engineering

Porous tungsten is used to manufacture dispenser cathodes due to it refractory properties. Surface porosity is critical to functional performance of dispenser cathodes because it allows for an impregnated ceramic compound to migrate to the emitting surface, lowering its work function. Likewise, surface roughness is important because it is necessary to ensure uniform wetting of the molten impregnate during high temperature service. Current industry practice to achieve surface roughness and surface porosity requirements involves the use of a plastic infiltrant during machining. After machining, the infiltrant is baked and the cathode pellet is impregnated. In this context, cryogenic machining is …

Magnesium-Titanium Alloys For Biomedical Applications, Ilona Hoffmann

Theses and Dissertations--Chemical and Materials Engineering

Magnesium has been identified as a promising biodegradable implant material because it does not cause systemic toxicity and can reduce stress shielding. However, it corrodes too quickly in the body. Titanium, which is already used ubiquitously for implants, was chosen as the alloying element because of its proven biocompatibility and corrosion resistance in physiological environments. Thus, alloying magnesium with titanium is expected to improve the corrosion resistance of magnesium.

Mg-Ti alloys with a titanium content ranging from 5 to 35 at.-% were successfully synthesized by mechanical alloying. Spark plasma sintering was identified as a processing route to consolidate the alloy …