Structural Materials 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 …

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 …

Novel Precursors For Carbon Fiber Prepared By Direct Carbonization, Leah Noble

Theses and Dissertations--Chemical and Materials Engineering

For decades carbon fiber-based composites have been most heavily employed in lightweight, structural applications where low density and high strength are necessary, most notably within the aerospace industry. However, the advancement of carbon fiber into a wider array of industries has largely been limited by the high financial and energetic costs associated with its manufacture. Moreover, with an increasing societal emphasis on sustainability, there is an ever-growing desire for low-energy carbon fiber production pathways. One such pathway is the conversion of precursor fiber to carbon fiber by direct carbonization, wherein the energy-intensive, pre-carbonization stabilization step is omitted from the carbonization …

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 …

The Development Of Structural Hollow Carbon Fibers From A Multifilament Segmented Arc Spinneret: Precursors, Oxidation, And Carbonization, Elizabeth Ashley Morris

Theses and Dissertations--Chemical and Materials Engineering

Carbon fiber is an ideal material for structural applications requiring high strength and stiffness and low weight. Yet it has seen only incremental improvements in properties over the last few decades. Carbon fibers remain limited in attaining their theoretical tensile strength and modulus, largely due to defects in their structure, some of which stem from the fiber production process itself. Through the mitigation of defect formation as well as approaches to decrease fiber linear density, it is hypothesized that carbon fiber with enhanced specific properties, including specific strength and modulus, could be produced which would significantly propel its unique capabilities. …

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 …

The Effect Of Pore Density And Distribution On Fatigue Weak Links In An A713 Cast Aluminum Alloy, Rami A. Almatani

Theses and Dissertations--Chemical and Materials Engineering

The effects of pore density and distribution were investigated on the fatigue crack initiation behavior in an A713 sand cast aluminum alloy plate of 12 mm thickness. The applied stress- the number of cycles to failure (S-N) curves of the samples taken from 2 mm and 5 mm from the free surface were obtained using four-point bend fatigue testing at room temperature, frequency of 20 Hz, stress ratio of 0.1, sinusoidal waveform, and in ambient air. The fatigue strengths of both, the 2 mm and 5 mm samples were 60% of the yield strength (σy=171.9 MPa) of the …

Improving The Capacity, Durability And Stability Of Lithium-Ion Batteries By Interphase Engineering, Qinglin Zhang

Theses and Dissertations--Chemical and Materials Engineering

This dissertation is focus on the study of solid-electrolyte interphases (SEIs) on advanced lithium ion battery (LIB) anodes. The purposes of this dissertation are to a) develop a methodology to study the properties of SEIs; and b) provide guidelines for designing engineered SEIs. The general knowledge gained through this research will be beneficial for the entire battery research community.

Three-Dimensional Microstructural Effects On Multi-Site Fatigue Crack Nucleation Behaviors Of High Strength Aluminum Alloys, Yan Jin

Theses and Dissertations--Chemical and Materials Engineering

An experimental method was further developed to quantify the anisotropy of multi-site fatigue crack initiation behaviors in high strength Al alloys by four-point bend fatigue testing under stress control. In this method, fatigue crack initiation sites (fatigue weak-links, FWLs) were measured on the sample surface at different cyclic stress levels. The FWL density in an alloy could be best described using a three-parameter Weibull function of stress, though other types of sigmoidal functions might also be used to quantify the relationship between FWL density and stress. The strength distribution of the FWLs was derived from the Weibull function determined by …

Characterization Of And Controlling Morphology Of Ultra-Thin Nanocomposites, Guy C. Laine

Theses and Dissertations--Chemical and Materials Engineering

Ultrathin film nanocomposites are becoming increasingly important for specialized performance of commercial coatings. Critical challenges for ultrathin film nanocomposites include their synthesis and characterization as well as their performance properties, including surface roughness, optical properties (haze, refractive index as examples), and mechanical properties. The objective of this work is to control the surface roughness of ultrathin film nanocomposites by changing the average particle size and the particle volume fraction (loading) of monomodal particle size distributions. This work evaluated one-layer and two-layer films for their surface properties. Monodispersed colloidal silica nanoparticles were incorporated into an acrylate-based monomer system as the model …