Metallurgy Commons^™

The Behavior Of ½⟨111⟩ Screw Dislocations In W–Mo Alloys Analyzed Through Atomistic Simulations, Lucas A. Heaton, Kevin Chu, Adib J. Samin

Faculty Publications

Analyzing plastic flow in refractory alloys is relevant to many different commercial and technological applications. In this study, screw dislocation statics and dynamics were studied for various compositions of the body-centered cubic binary alloy tungsten–molybdenum (W–Mo). The core structure did not appear to change for different alloy compositions, consistent with the literature. The pure tungsten and pure molybdenum samples had the lowest plastic flow, while the highest dislocation velocities were observed for equiatomic, W_0.5Mo_0.5 alloys. In general, dislocation velocities were found to largely align with a well-established dislocation mobility phenomenological model supporting two discrete dislocation mobility regimes, …

Corrosion Case Study On Pipeline, Kangze Ren

Corrosion Research

The Kashagan pipeline leaks were likely caused by sulfur stress corrosion cracking, a combined corrosion mechanism developed by the presence of high pressure, the high level of hydrogen sulfide(the main "ingredient" of sour gas), and poor metallurgical choice. Improper welding and poor metallurgical examination were blamed for causing the leaking issue. The purpose of the current review is to raise the alarm about the inappropriate corrosion management of Kashagan oil production and its societal and environmental consequences.

Machine Learning Prediction Of Hea Properties, Nicholas J. Beaver, Nathaniel Melisso, Travis Murphy

College of Engineering Summer Undergraduate Research Program

High-entropy alloys (HEA) are a very new development in the field of metallurgical materials. They are made up of multiple principle atoms unlike traditional alloys, which contributes to their high configurational entropy. The microstructure and properties of HEAs are are not well predicted with the models developed for more common engineering alloys, and there is not enough data available on HEAs to fully represent the complex behavior of these alloys. To that end, we explore how the use of machine learning models can be used to model the complex, high dimensional behavior in the HEA composition space. Based on our …

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 …

Machine Learning Strategies For Potential Development In High-Entropy Driven Nickel-Based Superalloys, Marium Mostafiz Mou

MSU Graduate Theses

In this study, I developed Deep Learning interatomic potentials to model a multi-phase and multi-component system of Ni-based Superalloys. The system has up to three major phase constituents, namely Gamma, Gamma Prime, and Transition-metal rich Carbide. I utilized invariant scalar-based and/or equivariant, tensor-based neural network (NN) approach as implemented in DEEPMD, NEQUIP/ALLEGRO codes, respectively, and Moment Tensor Potential (MTP). For the training and validation sets, I employed the ab-initio molecular dynamics (AIMD) trajectory results and ground state DFT calculations, including the energy, force, and virial database from highly diverse compositions, temperatures, and pressures following a “High Entropy Strategy.” The Deep …

A Study On Interactions Between Metal-Organic Frameworks And Biological Materials, Josh Phipps

Graduate Theses and Dissertations

Metal-organic frameworks or MOFs are an extremely useful tool in many areas of applications. Their popularity in recent years has arisen from their high efficiency in catalytic chemical reactions. This is made possible due to their porous interior and the ability of the MOFs components to be functionalized. These same traits make MOFs excellent for use in protein encapsulation or immobilization and have the potential to become excellent drug carriers. Their development in this utilization has been limited dramatically compared to MOFs chemical applications. This is due in part to the nature of biological processes taking longer to study, but …

Near-Ir Laser Ablation Of Simulated Radiologically Contaminated Oxides On Carbon Steel Feeder Pipes, Thao Viet Do

Electronic Thesis and Dissertation Repository

As nuclear power plants age and retire from service, many countries face significant challenges concerning the safe long-term storage and disposal of large volumes of low and intermediate level radioactive wastes (L&ILW). The volumes of metallic waste are of particular concern, as when metal corrodes it produces hydrogen that could lead to pressure build-up in interim storage and disposal. In Canada, a significant fraction of the metallic wastes for Canada Deuterium Uranium (CANDU) nuclear reactors are out-of-core reactor components, such as carbon steel (CS) feeder pipes. The radioactive contamination is expected to be largely confined to the surface oxide layers …

Experimental Evidence That Shear Bands In Metallic Glasses Nucleate Like Cracks, Alan A. Long, Wendelin Wright, Xiaojun Gu, Anna Thackray, Mayisha Nakib, Jonathan T. Uhl, Karin A. Dahmen

Faculty Journal Articles

Highly time-resolved mechanical measurements, modeling, and simulations show that large shear bands in bulk metallic glasses nucleate in a manner similar to cracks. When small slips reach a nucleation size, the dynamics changes and the shear band rapidly grows to span the entire sample. Smaller nucleation sizes imply lower ductility. Ductility can be increased by increasing the nucleation size relative to the maximum (“cutoff”) shear band size at the upper edge of the power law scaling range of their size distribution. This can be achieved in three ways: (1) by increasing the nucleation size beyond this cutoff size of the …

Metal Complexes Of Redox Active Ligands, Alexandra Chaparro, Parker Keller

Chemistry & Biochemistry Student Scholarship

Alexandra Chaparro ’22, Major: Biochemistry

Parker Keller ’24, Major: Chemistry

Mentor: Dr. Maria Carroll, Chemistry and Biochemistry

Our research focuses on synthesizing and studying the properties of metal complexes that contain redox active ligands. Ligands are molecules or ions that can bind to a metal ion, and this particular class of ligands is interesting because they can either accept or lose electrons. We synthesized zinc complexes, in order to measure the reduction potentials of the ligands, which provide information about the ease with which they accept electrons. We then synthesized iron complexes and determined their structures. These complexes are potentially …

Augmented Reality Integrated Welder Training For Mechanical Engineering Technology, Aditya Akundi, Hamid Eisazadeh, Mona Torabizadeh

Engineering Technology Faculty Publications

The shortage of welders is well documented and projected to become more severe for various industries such as shipbuilding in coming years. It is mainly because welding training is a critical and often costly endeavor. This study examines the training potential using augmented reality technology as a critical part of welder training for mechanical engineering technology students. This study assessed the performance of two groups of MET students trained with two different methods. One group received training with the traditional method in three sessions. The second group acquired training initially with an augmented reality welding system for three sessions. Then, …

Calcite Depression In Bastnaesite-Calcite Flotation System Using Organic Acids, Emmy Muhoza

Graduate Theses, Dissertations, and Problem Reports

Bastnaesite is the primary source of light REEs, namely cerium (Ce), lanthanum (La), praseodymium (Pr), neodymium (Nd), to name a few. Bastnaesite is typically concentrated using the froth flotation beneficiation method. Flotation of bastnaesite suffers from high reagent consumption due to the similar surface characteristics of bastnaesite and associated gangue minerals, including calcite. Additionally, complex stages of high-temperature conditioning are often required to suppress the detrimental impact of dissolved calcium ions on the flotation of bastnaesite. This research seeks to investigate the capabilities of organic acids in the bastnaesite-calcite flotation systems to selectively depress calcite minerals and effectively chelate calcium …

Laser Surface Treatment And Laser Powder Bed Fusion Additive Manufacturing Study Using Custom Designed 3d Printer And The Application Of Machine Learning In Materials Science, Hao Wen

LSU Doctoral Dissertations

Selective Laser Melting (SLM) is a laser powder bed fusion (L-PBF) based additive manufacturing (AM) method, which uses a laser beam to melt the selected areas of the metal powder bed. A customized SLM 3D printer that can handle a small quantity of metal powders was built in the lab to achieve versatile research purposes. The hardware design, electrical diagrams, and software functions are introduced in Chapter 2. Several laser surface engineering and SLM experiments were conducted using this customized machine which showed the functionality of the machine and some prospective fields that this machine can be utilized. Chapter 3 …

Electrochemical Deposition In Energy Storage Devices, Witness Atutala Martin

Graduate Theses and Dissertations

Metals, whether in a solid or soluble ion form, are a vital part of any electrochemical storage system. More so, Li metal is widely considered as the ideal anode because of its low density and low electrochemical potential (-3.04 V vs. the standard hydrogen electrode – SHE). However, just like most metals, it does not plate or strip evenly during cycling which can lead to cycling performance issues, short cycling lifespans, and even safety concerns brought about by dendrites that can cause internal short-circuiting within cells. This research focused on investigating the electroplating of metals in both aqueous and non-aqueous …

Local Dynamics And Atomic-Level Structures In Metallic Liquids And Glasses, Zengquan Wang

Doctoral Dissertations

Structure and dynamics at the atomic level in metallic glasses and liquids are poorly understood when compared to the crystalline solids. For instance, even though viscosity is the basic property of liquids, its atomistic origin is not well elucidated. Also, the physics of the fragility of liquids and the crossover phenomenon is far from full understanding. Earlier, through molecular dynamics (MD) simulations a direct connection was found between the timescale describing the macroscopic viscous behavior, the Maxwell relaxation time (t_M = h/G_∞, h is the shear viscosity and G_∞ is the high-frequency shear modulus) and …

Recovery Of Phosphorus From Florida Phosphatic Waste Clay, Amir Eskanlou

Graduate Theses, Dissertations, and Problem Reports

This MS thesis examines the recovery of phosphorus (P) from Florida waste clay (WC). A comprehensive literature review revealed that: (i)-The most important values being lost to WC are P and rare earth elements (REEs). For the recovery of these values from WC, two crucial attempts are the removal of extremely fine-sized clays, followed by the recovery of phosphate content, which can pave the path for the recovery of REEs; (ii)-Any scientific/ technological solution should, at the same time, be economically and environmentally attractive to the industry. As such, moving from mostly chemical separation processes to the primarily physical/ physicochemical …

Thermo-Fluid Characterizations Of The Powder-Bed Fusion Additive Manufacturing Processes Using Laser And Electron Beam, M Shafiqur Rahman

University of New Orleans Theses and Dissertations

The powder-bed fusion (PBF) process is a subdivision of Additive Manufacturing (AM) technology where a heat source at a controlled speed selectively fuses regions of a powder-bed material to form three-dimensional (3-D) parts. Two of the most effective PBF processes are selective laser melting (SLM) and electron beam additive manufacturing (EBAM), which can fabricate full-density metallic parts in a layer-by-layer fashion. In this study, thermal behavior and melt-pool dynamics in the PBF process are investigated by developing 3-D multiphysics-based thermo-fluid models for both SLM and EBAM, containing Ti-6Al-4V alloy as a powder-bed material. The laser and electron beams are modeled …

Magnetocaloric Effect Near Room Temperature In Quintenary And Sextenary Heusler Alloys, Benjamin D. White, R. I. Barabash, O. M. Barabash, I. Jeon, M. B. Maple

All Faculty Scholarship for the College of the Sciences

An inverse magnetocaloric effect is studied in Ni₂Mn_1+xX_1-x-type Heusler alloys. Principally known for their shape-memory properties, these alloys also exhibit significant entropy and temperature changes (ΔS and ΔT_Ad, respectively) under adiabatic conditions when a modest magnetic field is applied. We investigated the impact on magnetocaloric properties of introducing substantial chemical disorder on the X-site (X = Si, Ga, In), of replacing Ni with nonmagnetic Ag, and of replacing a small amount of Mn with Gd. While a reduction in ΔS is observed in the first two cases, we observe a significant enhancement …

Process Parameter Development Of Additively Manufactured Af9628 Weapons Steel, Erin M. Hager

Theses and Dissertations

The manufacture of components in Additive Manufacturing processes is limited by the range of materials available. Qualification of materials for Additive Manufacturing is time intensive, and is often specific to a single type of machine. In this study, an approach to selecting power, speed, and hatch spacing values for a newly powderized material, AF9628 weapons steel, is described that results in highly dense (>99.9%) parts on an MLab 200R Cusing. Initial power and speed values used in a weld track study were selected based on a survey of parameters used on similar materials, with a focus on the energy …

Metallic Systems At The Nano And Micro Scale: Bimetallic Nanoparticles As Catalysts And Mcraly Bond Coats In Thermal Barrier Coatings, Kenneth Kane

Theses and Dissertations

The dissertation is split into two parts. The first part will be focused on changes in material properties found at the nanoscale, as miscibility and electronic structure can change significantly with size. The formation of classically-immiscible bimetallic nanoparticles (BNPs) becomes favorable at the nanoscale and novel catalytic properties can emerge from the bimetallic alloying. The formation of alloyed and non-alloyed BNPs is achieved through pulse laser ablation (PLA) and a significant increase in catalytic activity is observed for both. Recently discovered, the increased activity in the non-alloyed BNPs, deemed multicomponent photocatalysis, is examined and the proposed mechanism discussed. The second …

Analysis Of Surface Integrity In Machining Of Aisi 304 Stainless Steel Under Various Cooling And Cutting Conditions, F. Klocke, B. Döbbeler, S. Lung, S. Seelbach, Ibrahim S. Jawahir

Institute for Sustainable Manufacturing Faculty Publications

Recent studies have shown that machining under specific cooling and cutting conditions can be used to induce a nanocrystalline surface layer in the workspiece. This layer has beneficial properties, such as improved fatigue strength, wear resistance and tribological behavior. In machining, a promising approach for achieving grain refinement in the surface layer is the application of cryogenic cooling. The aim is to use the last step of the machining operation to induce the desired surface quality to save time-consuming and expensive post machining surface treatments. The material used in this study was AISI 304 stainless steel. This austenitic steel suffers …

The Incorporation Of Graphene To Lithium Cobalt Oxide As A Cathode To Improve The Performance Of Lithium Ion Batteries, Kenan Wang

Graduate Theses and Dissertations

One of the objectives of this thesis work was to investigate the cathode performance of lithium cobalt oxide (LiCoO2) incorporated with graphene powder in lithium ion batteries (LIBs). Graphene powder was incorporated into cathode materials to enhance the performance of LIBs. The other objective was to impede the construction of a solid electrolyte interphase (SEI) sheet using graphene sheet coating on its cathode.

The results of this work show that adding graphene powder improved the performance of LiCoO¬2 as a cathode material. With the incorporation of different weight percentages of graphene powder, the LiBs showed distinct changes in their charging …

Study On The Surface Features Of Preg-Robbing Carbonaceous Matter During Oxidation Treatment, Mana Pourdasht

Electronic Thesis and Dissertation Repository

Carbonaceous gold ores have the ability to adsorb gold (I) cyanide from leach solutions during processing. This phenomenon, known as preg-robbing, is responsible for poor recoveries as the carbonaceous materials of the ore compete with activated carbon used during the leaching and adsorption phase of processing. Chemical oxidation of carbonaceous materials by different reagents has been utilized to investigate and compare the mechanism of Au (CN)₂ adsorption onto carbonaceous materials prior to and following the treatment.

The procedure for characterization of the carbonaceous materials (plain and modified) in the sample combines the use of several analytical techniques and test …

Nanostructural Origin Of Semiconductivity And Large Magnetoresistance In Epitaxial Nico2O4/Al2O3 Thin Films, Congmian Zhen, Xiaozhe Zhang, Wengang Wei, Wenzhe Guo, Ankit Pant, Xiaoshan Xu, Jian Shen, Li Ma, Denglu Hou

Xiaoshan Xu Papers

Despite low resistivity (~1 mΩ cm), metallic electrical transport has not been commonly observed in inverse spinel NiCo₂O₄, except in certain epitaxial thin films. Previous studies have stressed the effect of valence mixing and the degree of spinel inversion on the electrical conduction of NiCo₂O₄ films. In this work, we studied the effect of nanostructural disorder by comparing the NiCo₂O₄ epitaxial films grown on MgAl₂O₄ (1 1 1) and on Al₂O₃ (0 0 1) substrates. Although the optimal growth conditions are similar for the …

Induced Ferromagnetism In Multilayered Graphene In Proximity With Cofe2o4, Himanshu Verma, Dereje Seifu, Shashi P. Karna, Haiping Hong, Mohindar S. Seehra

Faculty & Staff Scholarship

Composites of anisotropic diamagnetic multilayer Graphene (MLG) and ferrimagnetic CoFe2O4 (CFO) nanoparticles (NPs) were synthesized through a one-step sonication process in the presence of a surfactant. The samples were characterized at ambi- ent using x-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM), Raman spectroscopy, magnetic force microscopy (MFM) and magnetometry (vibrating sample magnetometer). An induced ferromagnetism was observed in MLG with saturation magnetization MS = 18 emu/g(MLG). This induced ferromagnetism is attributed to ferrimagnetic CFO uniformly distributed on the surface of diamagnetic MLG. SEM images confirm uniform dense distribu- tion of CFO nanoparticles on MLG. MFM images …

Interfacial Corrosion Of Copper And The Formation Of Copper Hydroxychloride, Mary Teague, Shengxi Li, Hongbo Cong

Williams Honors College, Honors Research Projects

Electrical circuitry is an industry, among many others, heavily using the element of copper. Ensuring the mechanical integrity of Cu is crucial, especially in salt environments, for the multifaceted composition of circuits. 4N NaCl solution (equilibrium concentration in ~84% RH) simulated this three-phase system. Rectangular Cu samples were partially immersed in both ambient and continuous lab air sparging atmospheres to understand waterline corrosion of the metal. Open circuit potentials (OCP) were continuously taken during the immersion testing for a maximum of 5 days. A scanning electron microscopy (SEM) equipped with an energy dispersive X-ray spectrometer (EDS), Raman spectroscopy, and 3-D …

Gamma-Radiation Induced Corrosion Of Alloy 800, Mojtaba Momeni

Electronic Thesis and Dissertation Repository

This thesis presents a newly developed mechanism and predictive model for the corrosion of Alloy 800. The Fe-Cr-Ni Alloy (Incoloy 800) is mainly used for steam generator (SG) tubing in CANDU and PWR reactors and is a candidate material for the proposed Canadian Supercritical Water Reactor (SCWR) in which it will be exposed to extreme conditions of high radiation flux and large temperature gradients. The influence of gamma radiation and water chemistry conditions on the corrosion behaviour of Alloy 800 are studied in this work. Ionizing radiation creates reducing (•e_aq^–, •H, •O₂^-) and oxidizing …

Thermodynamics Of Concentrated Solid Solution Alloys, Michael C. Gao, Chuan Zhang, Pan Gao, Fan Zhang, Lizhi Ouyang, Michael Widom, Jeffrey A. Hawk

Mathematical Sciences Faculty Research

This paper reviews the three main approaches for predicting the formation of concentrated solid solution alloys (CSSA) and for modeling their thermodynamic properties, in particular, utilizing the methodologies of empirical thermo-physical parameters, CALPHAD method, and first-principles calculations combined with hybrid Monte Carlo/Molecular Dynamics (MC/MD) simulations. In order to speed up CSSA development, a variety of empirical parameters based on Hume-Rothery rules have been developed. Herein, these parameters have been systematically and critically evaluated for their efficiency in predicting solid solution formation. The phase stability of representative CSSA systems is then illustrated from the perspectives of phase diagrams and nucleation driving …

Interplay Of Quantum Size Effect, Anisotropy And Surface Stress Shapes The Instability Of Thin Metal Films, Mikhail Khenner

Mathematics Faculty Publications

Morphological instability of a planar surface ([111], [011], or [001]) of an ultra-thin metal film is studied in a parameter space formed by three major effects (the quantum size effect, the surface energy anisotropy and the surface stress) that influence a film dewetting. The analysis is based on the extended Mullins equation, where the effects are cast as functions of the film thickness. The formulation of the quantum size effect (Z. Zhang et al., PRL 80, 5381 (1998)) includes the oscillation of the surface energy with thickness caused by electrons confinement. By systematically comparing the effects, their contributions into the …

Weak Anti-Localization And Quantum Oscillations Of Surface States In Topological Insulator Bi2se2te, Lihong Bao, Liang He, Nicholas R. Meyer, Xufeng Kou, Peng Zhang, Zhi-Gang Chen, Alexei V. Fedorov, Trevor M. Riedemann, Thomas A. Lograsso, Kang L. Wang, Gary Tuttle, Faxian Xiu

Gary Tuttle

Topological insulators, a new quantum state of matter, create exciting opportunities for studying topological quantum physics and for exploring spintronic applications due to their gapless helical metallic surface states. Here, we report the observation of weak anti-localization and quantum oscillations originated from surface states in Bi2Se2Te crystals. Angle-resolved photoemission spectroscopy measurements on cleaved Bi2Se2Te crystals show a well-defined linear dispersion without intersection of the conduction band. The measured weak anti-localization effect agrees well with the Hikami-Larkin-Nagaoka model and the extracted phase coherent length shows a power-law dependence with temperature ( ∼T^−0.44), indicating the presence of the surface states. …

The Magnetic, Electrical And Structural Properties Of Copper-Permalloy Alloys, Makram A. Qader, A. Vishina, Lei Yu, Cougar Garcia, Rakesh K. Singh, Nicholas D. Rizzo, Mengchu Huang, Ralph Chamberlin, Kirill Belashchenko, Mark Van Schilfgaarde, N. Newman

Kirill Belashchenko Publications

Copper-permalloy [Cu_1–x(Ni₈₀Fe₂₀)_x] alloy films were deposited by co-sputtering and their chemical, structural, magnetic, and electrical properties were characterized. These films are found to have favorable weak ferromagnetic properties for low temperature magnetoelectronic applications. Our results show that by varying the composition, the saturation magnetization (M_s) can be tuned from 700 emu/cm³ to 0 and the Curie temperature (T_c), can be adjusted from 900 K to 0 K. The M_s and T_c are found to scale linearly between x = 25% and 100%. Electronic structure calculations …