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Articles 61 - 90 of 1004
Full-Text Articles in Materials Science and Engineering
Surface Chemistry And Adsorption Mechanism Of Orfom® D8 For Cu Depression In Cu-Mo Flotation, Patrick Jeff Mensah
Surface Chemistry And Adsorption Mechanism Of Orfom® D8 For Cu Depression In Cu-Mo Flotation, Patrick Jeff Mensah
Graduate Theses & Non-Theses
In traditional chalcopyrite-molybdenite (Cu-Mo) flotation separation systems, inorganic depressants such as NaSH and NaCN are used to selectively depress chalcopyrite making it more hydrophilic so molybdenite can be floated and recovered. NaSH and NaCN are highly toxic, have high explosion potential, strong odor, and readily oxidize in air resulting in a high consumption rates. To control oxidation, nitrogen gas, and Nokes reagent are both necessary, making the process even more expensive. In addressing these challenges, attention is fast shifting to disodium carboxymethyl trithiocarbonate (Orfom® D8), a novel organic depressant designed to replace conventional inorganic depressants because it does not easily …
Lignin Cationization For The Removal Of Phosphates And Nitrates From Effluents Of Wastewater Treatment Plants, Fannyuy V. Kewir
Lignin Cationization For The Removal Of Phosphates And Nitrates From Effluents Of Wastewater Treatment Plants, Fannyuy V. Kewir
LSU Master's Theses
The removal of phosphates and nitrates from wastewater treatment plant (WWTP) effluents is important for preventing pollution of receiving waters. In this study, we chemically modified alkaline lignin (aLN) with quaternary ammonium groups to obtain biodegradable cationic lignin (cLN). We characterized the cLN and tested its efficacy for removing phosphates and nitrates in a lab setting and on field-collected WWTP samples. Adsorption isotherm and kinetic studies were performed in aqueous media, and the effects of several variables (contact time, pH, initial concentration, and adsorbent dose) were investigated. The Langmuir isotherm described phosphate and nitrate adsorption well, with R2 values of …
Ge/Sige Quantum Wells: Material For The Post-Moore Era, Troy Alexander Hutchins-Delgado
Ge/Sige Quantum Wells: Material For The Post-Moore Era, Troy Alexander Hutchins-Delgado
Optical Science and Engineering ETDs
This dissertation demonstrates high-quality germanium quantum wells on a 200 mm silicon wafer platform, enabling novel device possibilities. Partnering with a commercial silicon-germanium epitaxy supplier, we obtained shallow, undoped germanium quantum wells with high-crystalline quality, confirmed through x-ray diffraction, secondary ion mass spectroscopy, high-resolution scanning transmission electron microscopy, and energy dispersive x-ray spectroscopy. Hall bar devices fabricated on single quantum wells revealed that surface preparation can tune transport properties while maintaining peak mobilities around 105 cm2V−1s−1. Manganese-germanide spintronic contacts were integrated via solid-state reaction, with contact quality assessed through Schottky diodes, transfer length …
Nature-Derived Flame Retardant For Cotton Fabrics With Green Coconut Shells, Tarikul Islam, Abdullah Al Rakib Shikder, Md Shahabul Hossen, Md Mazbah Uddin, Md Tanvir Hossain, M. Mahbubul Bashar
Nature-Derived Flame Retardant For Cotton Fabrics With Green Coconut Shells, Tarikul Islam, Abdullah Al Rakib Shikder, Md Shahabul Hossen, Md Mazbah Uddin, Md Tanvir Hossain, M. Mahbubul Bashar
Michigan Tech Publications
This study presents an eco-friendly flame-retardant solution for cellulosic fabrics using green coconut shell (GCS) extract and phytic acid (PA). Cellulosic materials are highly flammable and release harmful gases during combustion. Conventional flame retardants may pose environmental and health risks while impacting the fabric quality. GCS extract is a rich source of tannins, phosphorus, silicates, metallic salts, and oxides and is explored as a novel flame retardant (FR) for cotton fabrics. Cotton samples were pretreated with PA and then with varying concentrations of GCS extract using a padding technique. Comprehensive characterization followed, including limiting oxygen index (LOI), thermogravimetric analysis (TGA), …
Using Additive Manufacturing To Characterize Effects Of Sparse Infill Density And Sparse Infill Pattern On The Compressive Properties Of Short Strand Carbon Fiber Infused Petg, Luke C. Salisbury
Honors Theses
The advent of additive manufacturing has revolutionized the prototyping, design, and manufacturing of new and innovative products. Through the use of Fused Deposition Modeling (FDM), parts can be manufactured using different sparse infill percentages (the percentage of void space within a printed object) and sparse infill patterns (the lattice structure of material within the object). Through the manipulation of these variables, the same material and part can have different compressive and flexural properties. In addition to sparse infill, the thermoplastics used in fused deposition modeling can be reinforced with carbon fiber strands to create a printable composite material capable of …
Complex Precipitation Behavior In A Co-Free High Entropy Alloy During Aging, Matthew Luebbe, Fan Zhang, Jonathan D. Poplawsky, Jiaqi Duan, Haiming Wen
Complex Precipitation Behavior In A Co-Free High Entropy Alloy During Aging, Matthew Luebbe, Fan Zhang, Jonathan D. Poplawsky, Jiaqi Duan, Haiming Wen
Materials Science and Engineering Faculty Research & Creative Works
High entropy alloys (HEAs) demonstrate high strength, thermal stability, and irradiation resistance, making them desirable for applications in nuclear reactors and other harsh environments. Many existing HEAs contain cobalt (Co), which makes them unsuitable for nuclear applications due to the long-term activation of Co. A previously studied Co-free alloy, (Fe0.3Ni0.3Mn0.3Cr0.1)88Ti4Al8, exhibits high strength but compromised ductility due to its network of brittle precipitates upon aging. This work investigates the formation mechanism and evolution of the precipitates, including L12 (Ni3Ti type, ordered face-centered cubic …
Stability Of Nuclear Thermocouples, Scott Riley
Stability Of Nuclear Thermocouples, Scott Riley
Boise State University Theses and Dissertations
The mission of the Department of Energy, Office of Nuclear Energy (DOE-NE) is to advance nuclear power as a resource capable of meeting the nation’s energy, environmental and national security needs by resolving technical, cost, safety, proliferation resistance, and security barriers through research and development. In the pursuit of safer and more economic energy production from existing nuclear reactors and future generation IV reactors, new cladding, fuel, and structural materials are being developed. However, data on the performance of these materials in accident scenarios and relevant generation IV reactor conditions is limited. Currently, thermocouples are the most commonly used temperature …
Multi-Scale Modeling Of Dna-Templated Aggregates For Excitonic Applications, German Barcenas Moncada
Multi-Scale Modeling Of Dna-Templated Aggregates For Excitonic Applications, German Barcenas Moncada
Boise State University Theses and Dissertations
Quantum entanglement occupies a central role in the application of quantum mechanics towards emerging technologies of quantum information systems. Meanwhile, quantum entanglement is believed to be observed at room temperature in photosynthetic complexes in plants and algae through the energy transfer of dye molecules. The goal of this project is to engineer dye properties and their arrangement when dyes and aggregates are covalently attached to DNA so that the emergent property of exciton delocalization is as coherent, predictable, detectable and controllable. The creation of such a platform would enable the continued study of near room-temperature quantum entanglement and the more …
Magnetic Nano And Micro Rods As Tools For Characterizing Materials Mechanical Properties: Fundamentals And Applications, Artis Brasovs
Magnetic Nano And Micro Rods As Tools For Characterizing Materials Mechanical Properties: Fundamentals And Applications, Artis Brasovs
All Dissertations
The focus of this dissertation is insect blood (Hemolymph). Hemolymph is analyzed by taking a materials science approach. Rheological characterization of hemolymph has been performed for the first time. Owing to a minute amount of available material, a new protocol was established where Magnetic Rotational Spectroscopy (MRS) with ferromagnetic nanorods was employed. The challenge was examining the microliter droplets' viscosity in less than a few minutes. This challenge was successfully resolved.
Blood is critical for the insect's survival: after wounding, the insect has to seal the wound quickly, in a few minutes. As the mechanism of fast clotting has never …
Laser Processing Of Multi-Phase Ceramics, Siddhartha Sarkar
Laser Processing Of Multi-Phase Ceramics, Siddhartha Sarkar
All Dissertations
This research explores laser-based processing for multi-phase ceramics, offering a faster, more energy-efficient alternative to conventional ceramic fabrication. Four material systems are explored: silica-titania, alumina-iron, polymer-derived ceramic SiC-gadolinium zirconate, and polymer-derived ceramic SiC-yttrium silicate.
The silica-titania study presents a novel direct CO2 laser writing approach to fabricating pure silica and silica-titania glasses with exceptional dimensional control and optical transparency, enabling fine spatial resolution, instantaneous consolidation, and eliminating post-heat treatment. Notably, the TiO2 solubility in the silica network achieved is higher than previously reported, with structures remaining crack-free and transparent up to a specific TiO2 percentage.
The alumina-iron …
Nanostructured Silicon Meta-Waveguides And Surfaces For Enhanced Light-Matter Interaction, Saddam Gafsi
Nanostructured Silicon Meta-Waveguides And Surfaces For Enhanced Light-Matter Interaction, Saddam Gafsi
All Dissertations
In this study, we tackle the challenge of light-matter interaction engineering and local field enhancement using various silicon photonic platforms based on three different approaches. (i) The first approach is based on boundary condition engineering where we present and show through simulation and experimental results, a silicon nanodisk “diabolo” configuration able to support significant local field enhancement levels in the range ~102 to 104 in the high index medium through proper structural modifications at the nanoscale. We show that the presented optical behavior is consistent with the anapole modes characterized by the observed near-field enhancement and coinciding with far-field suppression. …
Enhancing Protonic Ceramic Fuel Cells By Advanced Laser Processing For Superior Performance, Tianyi Zhou
Enhancing Protonic Ceramic Fuel Cells By Advanced Laser Processing For Superior Performance, Tianyi Zhou
All Dissertations
As global temperatures rise, the demand for clean energy solutions intensifies. Protonic ceramic fuel cells (PCFCs) offer advantages like higher conductivity at moderate temperatures (300–700 °C), fuel flexibility, stability, and lower costs. However, traditional PCFC manufacturing faces challenges with interface defects, structural imperfections, and scalability, especially in producing large-area cells and stacks.
This work addresses these issues using advanced laser processing techniques. Laser ablation and direct laser rapid additive manufacturing (DL-RAM) enable precise control of PCFC microstructures, removing surface defects and increasing bonding strength for higher efficiency. Digital layer deposition allows for large-area PCFC single cells and stack production with …
Exploring The Compositional Limits Of Y2o3-Al2o3-Sio2 Optical Fibers, Miranda Stone
Exploring The Compositional Limits Of Y2o3-Al2o3-Sio2 Optical Fibers, Miranda Stone
All Dissertations
Of the widely varying compositions fabricated into optical fibers using the molten core method (MCM), the most studied by far as been those in the Y2O3-Al2O3-SiO2 (YAS) system. Such fibers have been shown to be of interest for fiber amplifiers and lasers since they exhibit a good balance between reasonable loss, intrinsically low optical nonlinearities, and efficient gain. The majority of the fibers studied globally to-date have primarily focused on YAG-derived fibers, i.e., YAG (Y3Al5O12) single crystals drawn in a pure SiO2 cladding glass) …
Ellipticity-Controlled Exceptional Points From Nanoscale Metasurfaces, Benjamin Goldberg
Ellipticity-Controlled Exceptional Points From Nanoscale Metasurfaces, Benjamin Goldberg
McKelvey School of Engineering Graduate Student Theses & Dissertations
Precise control over light polarization is critical for advancing technologies in telecommunica- tions, quantum computing, and image sensing. However, existing methods for manipulating polarization around exceptional points in non-Hermitian systems, have exclusively focused on circular polarization and work with reflected light. To address this limitation, we de- velop a novel metasurface platform with high-Q resonators that enables tunable control of polarization exceptional points across arbitrary ellipticity for transmitted light. Our design uses orthogonally polarized guided mode resonators in a two-layer silicon metasurface, where careful tuning of the dipolar guided mode resonances (DGMRs) and layer spacing allows us to control the …
Prediction Of Dislocation Density During Casting Of 316 Stainless Steel Based Alloys As A Function Of Chromium And Nickel Composition, Abhishek Chitradurga Ranganath
Prediction Of Dislocation Density During Casting Of 316 Stainless Steel Based Alloys As A Function Of Chromium And Nickel Composition, Abhishek Chitradurga Ranganath
All Theses
By the 1990s, computational methods were beginning to be used to study dislocation density in mental casting. Prior to that time research was based heavily on laboratory studies. This move was encouraged by the need to overcome limitations that experimental approaches had, including high costs and time-consuming processes, and needs of researchers to understand atomic-scale phenomena. Computational techniques allow complex materials to be simulated in cost effective way and can provide insight into behaviour that could never be determined through experimental methods alone.
This work utilized molecular dynamics (MD) simulations along with machine learning approaches to examine the dislocation density …
Toward Electrochemical Detection Of Salmonella Enterica Serovar Enteritidis On Hydroponically Grown Green Onions (Allium Fistulosum L.), Lisseth Casso-Hartmann
Toward Electrochemical Detection Of Salmonella Enterica Serovar Enteritidis On Hydroponically Grown Green Onions (Allium Fistulosum L.), Lisseth Casso-Hartmann
All Theses
The Food and Drug Administration (FDA) established standards during the growing, harvesting, packing, and holding of produce for human consumption as part of implementing the Food Safety Modernization Act (FSMA). One of the main requirements for farmers is to detect environmental pathogens such as Salmonella enterica species in water and sprout samples. S. enterica is a bacterium of significant concern due to its pathogenicity and ability to survive and persist in diverse environmental conditions. S. enterica has been associated with recalls in ready-to-eat foods. Traditional detection methods include Enzyme-Linked Immunosorbent Assay (ELISA), Polymerase Chain Reaction (PCR), and plate counting, which …
Multiphysics Modeling And Experimental Validation Of High-Strength Steel In Laser Powder Bed Fusion Process, M. Rangapuram, S. Babalola, J. W. Newkirk, L. N. Bartlett, F. W. Liou, K. Chandrashekhara, Stephen R. Cluff
Multiphysics Modeling And Experimental Validation Of High-Strength Steel In Laser Powder Bed Fusion Process, M. Rangapuram, S. Babalola, J. W. Newkirk, L. N. Bartlett, F. W. Liou, K. Chandrashekhara, Stephen R. Cluff
Materials Science and Engineering Faculty Research & Creative Works
Laser powder bed fusion (LPBF) is a subset of the additive manufacturing process in which a laser beam selectively joins the metal powder into a desired part in a sequential layer process. Owing to its complex nature of rapid heating and cooling of the melt pool, there is a need to understand the melt pool behavior and its effects on the final manufactured part. a densely packed powder bed is highly desirable for fabricating a superior part using the LPBF process. in this work, discrete element model was used to generate powder beds with realistic powder properties and various factors …
Influence Of Glycopolymer Structure On Amphiphilic, Hybrid, Linear Branched Block Copolymer Properties For Use In Biomedical Applications, Kevin Green
Dissertations
The focus of this dissertation is evaluating and adding fundamental knowledge regarding the structure-property relations of glycopolymers used in the design of hybrid block copolymers (HBC) that are cable of self-assembling into delivery vehicles for biomedical applications. A shift to the utilization of natural materials in the design and fabrication of drug-delivery vehicles has garnered significant attention. Understanding the effects of linear glycopolymers content and composition on the resulting HBCs properties can provide valuable insight into how these materials may be tailored for use in targeted biological applications.
The first chapter introduces current literature on the need for improvement in …
Development Of Uranium Fluoride Microstructures, Harry Jang
Development Of Uranium Fluoride Microstructures, Harry Jang
UNLV Theses, Dissertations, Professional Papers, and Capstones
Uranium microstructured materials with controlled size and shape have found applications in several branches of the nuclear industry including as targets for medical isotopes production, fuels for nuclear reactors, standards for analytical measurements, and energy sources for space exploration. Morphological studies of actinide materials are also highly relevant to nuclear forensics-related work. Other potential applications include information storage, catalysis, sensors, and luminescent devices. Most studies on uranium microstructured materials have focused on binary oxides, nitrides, carbides, and fluorides, with the spherical shape being the dominant morphology. Prior to the work reported in this dissertation, aside from UF4 microspheres (ms) and …
Thermal Conductivity Characterization Of High Oleic Vegetable Oils Based Hybrid Nanofluids Formulated Using Gnp, Tio2, Mos2, Al2o3 Nanoparticles For Mql Machining, Anthony Chukwujekwu Okafor, Tobechukwu Kingsley Abor, Saidanvar Esanjonovich Valiev, Ignatius Echezona Ekengwu, Abiodun Saka, Monday Uchenna Okoronkwo
Thermal Conductivity Characterization Of High Oleic Vegetable Oils Based Hybrid Nanofluids Formulated Using Gnp, Tio2, Mos2, Al2o3 Nanoparticles For Mql Machining, Anthony Chukwujekwu Okafor, Tobechukwu Kingsley Abor, Saidanvar Esanjonovich Valiev, Ignatius Echezona Ekengwu, Abiodun Saka, Monday Uchenna Okoronkwo
Mechanical and Aerospace Engineering Faculty Research & Creative Works
This paper presents the results of thermal conductivity characterization of six high oleic soybean oil (HOSO) and four high oleic canola oil (HOCO)-based hybrid nanofluids formulated with four types of nanoparticles (Graphene nanoplatelet (xGnP), TiO2, MoS2, and Al2O3) at nanoparticles wt.% concentration from 1 % to 7 % in 1 % increment using the two-step method for use in MQL machining of difficult-to-cut metals. Thermal conductivity of the formulated hybrid nanofluids were measured using Thermtest Transient Hot Wire Liquid Thermal Conductivity Meter at temperatures from 25 °C to 75 °C in increment of 10 °C. Obtained results showed that thermal …
Striking A Balance: Market Shock & Responses In Automotive Components Manufacturing, Emma Lane Mcgahey
Striking A Balance: Market Shock & Responses In Automotive Components Manufacturing, Emma Lane Mcgahey
All Theses
This thesis examines the effects of extreme market shocks on supply chain dynamics within the automotive industry. Through an analysis of demand data from an automotive manufacturer to its component suppliers (January 2018 to May 2024), the study investigates the relationship between market shocks and supply chain responses, providing insights into how auto components inventory management handles downstream responses to market shocks. With supporting public data—from FRED, BLS, and the U.S. Census Bureau resources—we explore two primary relationships: the impact of market shocks on the Average Standard Deviation of Demand (SDO) and the effect of demand variability on expedited pricing …
Pressureless Sintering Of Sic - Oxide Multiphase Ceramics For Protective Coating Applications, Reilly Boros
Pressureless Sintering Of Sic - Oxide Multiphase Ceramics For Protective Coating Applications, Reilly Boros
All Theses
For hydrogen-fueled combustion, there exists a demand to improve coating materials that are capable of protecting SiCf/SiC CMC turbine material. Promising coating materials must be able to shield from harsh oxidation while working at extremely high temperatures. The work presented in this thesis aims to expand the understanding of two promising material systems for integrated environmental barrier coating (EBC) – thermal barrier coatings (TBC) by fabricating bulk composite ceramic samples and performing characterization to further understand their sintering behaviors. In this study, a processing procedure to consistently produce dense composite ceramics of PDC SiC – Y2Si …
Experimental Evaluation Of A Recrosslinkable Co2-Resistant Micro-Sized Preformed Particle Gel For Co2 Sweep Efficiency Improvement In Reservoirs With Super-K Channels, Adel Alotibi, Tao Song, Ali Al Brahim, Baojun Bai, Thomas P. Schuman
Experimental Evaluation Of A Recrosslinkable Co2-Resistant Micro-Sized Preformed Particle Gel For Co2 Sweep Efficiency Improvement In Reservoirs With Super-K Channels, Adel Alotibi, Tao Song, Ali Al Brahim, Baojun Bai, Thomas P. Schuman
Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works
A recross linkable CO2-resistant branched preformed particle gel (CO2-BRPPG) was developed for controlling CO2 injection conformance, particularly in reservoirs with super-permeable channels. Previous work focused on a millimeter-sized CO2-BRPPG in open fractures, but its performance in high-permeability channels with pore throat networks remained unexplored. This study used a sand pack model to evaluate a micro-sized CO2-BRPPG under varying conditions of salinity, gel concentration, and pH. at ambient conditions, the equilibrium swelling ratio (ESR) of the gel reached 76 times its original size. This ratio decreased with increasing salinity but remained stable …
Fabrication And Performance Of Scalable Bio-Engineered Porous Layers For Efficient Co2 Capture, Mary Sharon Rose Bondugula
Fabrication And Performance Of Scalable Bio-Engineered Porous Layers For Efficient Co2 Capture, Mary Sharon Rose Bondugula
Theses and Dissertations
This dissertation addresses the critical challenge of mitigating climate change by advancing CO2 capture technologies. As global CO2 emissions continue to rise, effective methods for capturing and separating CO2 from industrial processes are essential to combat climate change. Existing CO2 capture systems, such as Pressure Swing Adsorption (PSA) and Temperature Swing Adsorption (TSA), often rely on packed bed designs that face limitations, including poor heat and mass transfer, slow gas diffusion, and low thermal conductivity, reducing their efficiency. To overcome these challenges, this dissertation explores innovative solutions by developing advanced adsorbent coatings and scalable bed configurations.
This research begins by …
Neural Operator And Physics-Informed Deep Learning Approaches For Inverse Design Of Composites And Manufacturing Processes, Minglei Lu
All Dissertations
In this dissertation, artificial intelligence (AI) models are designed and used to accelerate inverse design of composites and manufacturing processes. The critical bottlenecks in machine learning (ML) including data availability, data quality, model generalization and adaptation, interpretability, physical consistency, and the ’black box’ nature of models for the inverse design are addressed. And the proposed AI models are tested under different engineering scenarios. Firstly, a fast deep neural operator (DNO) structure was developed to significantly reduce training time. This model was tested in the context of additive manufacturing, a transformative industrial technology that allows for the creation of materials with …
Density-Driven Investigations Of Ruthenium Binary Compounds Rux2 (X = O, S, N), Melanie White
Density-Driven Investigations Of Ruthenium Binary Compounds Rux2 (X = O, S, N), Melanie White
UNLV Theses, Dissertations, Professional Papers, and Capstones
Exploration and fine-tuning of the energy landscape of materials can be accessed by means of changes in material density, a key principle of high pressure research. Density-driven changes impact variations in oxidation states and coordination numbers for the element constituents of a compound. Pressure-induced modification of intrinsic density can promote the formation of new materials, variations in physical properties, and transformations in crystallographic symmetry. With this as our foundation, we focus on ruthenium binary compounds - altering the anion species to change electronegativity while probing pressure and temperature effects. This led us to the present study of ruthenium oxide RuO2, …
Estimating The Possible Qpos Of M87* From The Parameters Of A Hairy Kerr Black Hole, Orhan Donmez, Fatih Dogan
Estimating The Possible Qpos Of M87* From The Parameters Of A Hairy Kerr Black Hole, Orhan Donmez, Fatih Dogan
Materials Science and Engineering Faculty Research & Creative Works
In this paper, we study the dynamics of the shock cone formed around a hairy Kerr black hole due to Bondi– Hoyle–Lyttleton (BHL) accretion and investigate the quasi-periodic oscillations (QPO) behaviors resulting from the black hole-cone interaction, aiming to predict the QPO frequencies that may occur around the M87∗ black hole. To achieve this, we use the hairy Kerr black hole parameters consistent with the observed shadow parameters of M87∗ as initial conditions in numerical simulations, revealing the structure of the resulting shock cone and QPOs in a strong gravitational field. Numerical calculations show that the deviation of …
Hafnium Oxide Coating To Improve The Oxidation Behavior Of Zirconium Diboride, Jan E. Förster, William G. Fahrenholtz, Gregory E. Hilmas, Ravisankar Naraparaju
Hafnium Oxide Coating To Improve The Oxidation Behavior Of Zirconium Diboride, Jan E. Förster, William G. Fahrenholtz, Gregory E. Hilmas, Ravisankar Naraparaju
Materials Science and Engineering Faculty Research & Creative Works
Hafnium dioxide (HfO2) coatings were successfully deposited on zirconium diboride (ZrB2) using reactive magnetron sputtering. After the oxidation at 1500°C or 1600°C, the mutual dissolution of HfO2 and thermally grown ZrO2 was observed which has resulted in the formation of a mixed oxide zone. As the enrichment of the mixed oxide zone by ZrO2 progresses, monoclinic/tetragonal phase transition temperature of ∼1790°C for nominally pure HfO2 moves towards ∼1500 °C. Finally, the inevitable phase transition from monoclinic to tetragonal structure results in the development of cracks, pores, and gaps within the mixed oxide …
Machine Learned Interatomic Potentials For Ternary Carbides Trained On The Aflow Database, Josiah Roberts, Biswas Rijal, Simon Divilov, Jon Paul Maria, William G. Fahrenholtz, Douglas E. Wolfe, Donald W. Brenner, Stefano Curtarolo, Eva Zurek
Machine Learned Interatomic Potentials For Ternary Carbides Trained On The Aflow Database, Josiah Roberts, Biswas Rijal, Simon Divilov, Jon Paul Maria, William G. Fahrenholtz, Douglas E. Wolfe, Donald W. Brenner, Stefano Curtarolo, Eva Zurek
Materials Science and Engineering Faculty Research & Creative Works
Large-density functional theory (DFT) databases are a treasure trove of energies, forces, and stresses that can be used to train machine-learned interatomic potentials for atomistic modeling. Herein, we employ structural relaxations from the AFLOW database to train moment tensor potentials (MTPs) for four carbide systems: CHfTa, CHfZr, CMoW, and CTaTi. The resulting MTPs are used to relax ~6300 random symmetric structures and are subsequently improved via active learning to generate robust potentials (RP) that can relax a wide variety of structures, and accurate potentials (AP) designed for the relaxation of low-energy systems. This protocol is shown to yield convex hulls …
A General Model For The Ductility Of Intermetallics Applied To Fe-Co Alloys, Wesley Everhart, Joseph Newkirk
A General Model For The Ductility Of Intermetallics Applied To Fe-Co Alloys, Wesley Everhart, Joseph Newkirk
Materials Science and Engineering Faculty Research & Creative Works
The mechanical properties, specifically ductility, of high performing soft magnets such as Fe-Co alloys are a limiting factor to their broader use in a number of systems. The understanding of the mechanical robustness in these materials is currently insufficient to be able to support the growing interest in applications such as magnetic shielding or electric motors. Fe-Co alloys provide the highest commercially available magnetic saturation and high magnetic permeability but have very poor ductility. The addition of vanadium to these alloys has allowed for significant commercialization and some ductility improvements, but the fundamental reasons for the observed improvements are not …