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2023

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Full-Text Articles in Materials Science and Engineering

Closed-Loop Recyclable Plastics From Poly(Ethyl Cyanoacrylate), Allison J. Christy, Scott T. Phillips Mar 2023

Closed-Loop Recyclable Plastics From Poly(Ethyl Cyanoacrylate), Allison J. Christy, Scott T. Phillips

Materials Science and Engineering Faculty Publications and Presentations

Ethyl cyanoacrylate is a highly reactive monomer that has been used nearly exclusively to make Super Glue and related fast-setting adhesives. Here, we describe transformation of this highly abundant, readily available monomer into a closed-loop recyclable plastic that could supplant currently used (and often unrecycled/unrecyclable) plastics, such as poly(styrene). We report polymerization conditions, plastic-processing methods, and plastic-recycling protocols for poly(ethyl cyanoacrylate) plastics that make the Super Glue monomer a viable starting material for a next generation of closed-loop recyclable plastics. The processes described are scalable, and the plastics can be recycled in a closed-loop process with >90% yields, even when …

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Effect Of Substituent Location On The Relationship Between The Transition Dipole Moments, Difference Static Dipole, And Hydrophobicity In Squaraine Dyes For Quantum Information Devices, Maia Ketteridge, Austin Biaggne, Ryan Rau, German Barcenas, Olga A. Mass, William B. Knowlton, Bernard Yurke, Lan Li Mar 2023

Effect Of Substituent Location On The Relationship Between The Transition Dipole Moments, Difference Static Dipole, And Hydrophobicity In Squaraine Dyes For Quantum Information Devices, Maia Ketteridge, Austin Biaggne, Ryan Rau, German Barcenas, Olga A. Mass, William B. Knowlton, Bernard Yurke, Lan Li

Materials Science and Engineering Faculty Publications and Presentations

Aggregates of organic dyes that exhibit excitonic coupling have a wide array of applications, including medical imaging, organic photovoltaics, and quantum information devices. The optical properties of a dye monomer, as a basis of dye aggregate, can be modified to strengthen excitonic coupling. Squaraine (SQ) dyes are attractive for those applications due to their strong absorbance peak in the visible range. While the effects of substituent types on the optical properties of SQ dyes have been previously examined, the effects of various substituent locations have not yet been investigated. In this study, density functional theory (DFT) and time-dependent density functional …

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Magnetic Nanocomposites For The Remote Activation Of Sulfate Radicals For The Removal Of Rhodamine B, Pranto Paul, Marissa Nicholson, J. Zach Hilt Mar 2023

Magnetic Nanocomposites For The Remote Activation Of Sulfate Radicals For The Removal Of Rhodamine B, Pranto Paul, Marissa Nicholson, J. Zach Hilt

UK CARES Faculty Publications

The widespread presence of numerous organic contaminants in water poses a threat to the ecological environment and human health. Magnetic nanocomposites exposed to an alternating magnetic field (AMF) have a unique ability for magnetically mediated energy delivery (MagMED) resulting from the embedded magnetic nanoparticles; this localized energy delivery and associated chemical and thermal effects are a potential method for removing contaminants from water. This work developed a novel magnetic nanocomposite—a polyacrylamide-based hydrogel loaded with iron oxide nanoparticles. For this magnetic nanocomposite, persulfate activation and the contamination removal in water were investigated. Magnetic nanocomposites were exposed to AMF with a model …

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Particle Migration In Large Cross-Section Ceramic On-Demand Extrusion Components, Austin J. Martin, Wenbin Li, Jeremy Lee Watts, Gregory E. Hilmas, Ming-Chuan Leu, Tieshu Huang Mar 2023

Particle Migration In Large Cross-Section Ceramic On-Demand Extrusion Components, Austin J. Martin, Wenbin Li, Jeremy Lee Watts, Gregory E. Hilmas, Ming-Chuan Leu, Tieshu Huang

Materials Science and Engineering Faculty Research & Creative Works

Ceramic On-Demand Extrusion (CODE) is a direct ink writing process which allows for the creation of near theoretically dense ceramic components with large cross-sections due to oil-assisted drying. Yttria-stabilized zirconia (YSZ) colloidal pastes (∼d50 ≲ 1 µm) were used in CODE to produce dense (multi-road infill and ≳ 98% relative density), large continuous volume (> 1 cm3), and high fidelity (nozzle diameters ≲ 1 mm) structural ceramic components. However, many of these printed components underwent significant particle migration after forming. The reason for this particle migration defect was investigated using the coffee-ring effect for dilute solutions and rheological methods for …

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Anisotropic Thermal Expansion In High-Entropy Multicomponent Alb2-Type Diboride Solid Solutions, Frédéric Monteverde, Mattia Gaboardi, Federico Saraga, Lun Feng, William Fahrenholtz, Gregory Hilmas Mar 2023

Anisotropic Thermal Expansion In High-Entropy Multicomponent Alb2-Type Diboride Solid Solutions, Frédéric Monteverde, Mattia Gaboardi, Federico Saraga, Lun Feng, William Fahrenholtz, Gregory Hilmas

Materials Science and Engineering Faculty Research & Creative Works

High-entropy (HE) ultra-high temperature ceramics have the chance to pave the way for future applications propelling technology advantages in the fields of energy conversion and extreme environmental shielding. Among others, HE diborides stand out owing to their intrinsic anisotropic layered structure and ability to withstand ultra-high temperatures. Herein, we employed in-situ high-resolution synchrotron diffraction over a plethora of multicomponent compositions, with four to seven transition metals, with the intent of understanding the thermal lattice expansion following different composition or synthesis process. As a result, we were able to control the average thermal expansion (TE) from 1.3 x 10−6 to 6.9 …

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Anisotropic Thermal Expansion In High-Entropy Multicomponent Alb2-Type Diboride Solid Solutions, Frédéric Monteverde, Mattia Gaboardi, Federico Saraga, Lun Feng, William Fahrenholtz, Gregory Hilmas Mar 2023

Anisotropic Thermal Expansion In High-Entropy Multicomponent Alb2-Type Diboride Solid Solutions, Frédéric Monteverde, Mattia Gaboardi, Federico Saraga, Lun Feng, William Fahrenholtz, Gregory Hilmas

Materials Science and Engineering Faculty Research & Creative Works

High-entropy (HE) ultra-high temperature ceramics have the chance to pave the way for future applications propelling technology advantages in the fields of energy conversion and extreme environmental shielding. Among others, HE diborides stand out owing to their intrinsic anisotropic layered structure and ability to withstand ultra-high temperatures. Herein, we employed in-situ high-resolution synchrotron diffraction over a plethora of multicomponent compositions, with four to seven transition metals, with the intent of understanding the thermal lattice expansion following different composition or synthesis process. As a result, we were able to control the average thermal expansion (TE) from 1.3 x 10−6 to …

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Particle Migration In Large Cross-Section Ceramic On-Demand Extrusion Components, Austin J. Martin, Wenbin Li, Jeremy Lee Watts, Gregory E. Hilmas, Ming-Chuan Leu, Tieshu Huang Mar 2023

Particle Migration In Large Cross-Section Ceramic On-Demand Extrusion Components, Austin J. Martin, Wenbin Li, Jeremy Lee Watts, Gregory E. Hilmas, Ming-Chuan Leu, Tieshu Huang

Materials Science and Engineering Faculty Research & Creative Works

Ceramic On-Demand Extrusion (CODE) is a direct ink writing process which allows for the creation of near theoretically dense ceramic components with large cross-sections due to oil-assisted drying. Yttria-stabilized zirconia (YSZ) colloidal pastes (∼d50 ≲ 1 µm) were used in CODE to produce dense (multi-road infill and ≳ 98% relative density), large continuous volume (> 1 cm3), and high fidelity (nozzle diameters ≲ 1 mm) structural ceramic components. However, many of these printed components underwent significant particle migration after forming. The reason for this particle migration defect was investigated using the coffee-ring effect for dilute solutions and rheological methods for …

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Novel Effects Of Grain Size And Ion Implantation On Grain Boundary Segregation In Ion Irradiated Austenitic Steel, Andrew K. Hoffman, Yongfeng Zhang, Maalavan Arivu, Li He, Kumar Sridharan, Yaqiao Wu, Rinat K. Islamgaliev, Ruslan Z. Valiev, Haiming Wen Mar 2023

Novel Effects Of Grain Size And Ion Implantation On Grain Boundary Segregation In Ion Irradiated Austenitic Steel, Andrew K. Hoffman, Yongfeng Zhang, Maalavan Arivu, Li He, Kumar Sridharan, Yaqiao Wu, Rinat K. Islamgaliev, Ruslan Z. Valiev, Haiming Wen

Materials Science and Engineering Faculty Research & Creative Works

Nuclear Reactor Environments Are Extreme in Nature Due to the Combination of Exposure to Corrosive Coolant, Mechanical Stresses, and Neutron Irradiation Damage. This Combination of Environments Can Lead to Irradiation Induced/assisted Precipitation, Segregation, and Embrittlement Coupled with Enhanced Creep and Stress Corrosion Cracking. While Nanostructured Materials Are of Interest in a Variety of Applications Due to their Unique Properties Including High Mechanical Strength, for Nuclear Applications Nanostructured Materials Have the Added Benefit of Irradiation Resistance Due to the High-Volume Density of Sinks for Irradiation-Induced Defects. in This Study, We Show Unique Radiation-Induced Segregation (RIS) Behavior in Nanocrystalline 304 Stainless Steel …

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Anisotropic Thermal Expansion In High-Entropy Multicomponent Alb2-Type Diboride Solid Solutions, Frédéric Monteverde, Mattia Gaboardi, Federico Saraga, Lun Feng, William Fahrenholtz, Gregory Hilmas Mar 2023

Anisotropic Thermal Expansion In High-Entropy Multicomponent Alb2-Type Diboride Solid Solutions, Frédéric Monteverde, Mattia Gaboardi, Federico Saraga, Lun Feng, William Fahrenholtz, Gregory Hilmas

Mathematics and Statistics Faculty Research & Creative Works

High-entropy (HE) ultra-high temperature ceramics have the chance to pave the way for future applications propelling technology advantages in the fields of energy conversion and extreme environmental shielding. Among others, HE diborides stand out owing to their intrinsic anisotropic layered structure and ability to withstand ultra-high temperatures. Herein, we employed in-situ high-resolution synchrotron diffraction over a plethora of multicomponent compositions, with four to seven transition metals, with the intent of understanding the thermal lattice expansion following different composition or synthesis process. As a result, we were able to control the average thermal expansion (TE) from 1.3 x 10−6 to 6.9 …

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Particle Migration In Large Cross-Section Ceramic On-Demand Extrusion Components, Austin J. Martin, Wenbin Li, Jeremy Lee Watts, Gregory E. Hilmas, Ming-Chuan Leu, Tieshu Huang Mar 2023

Particle Migration In Large Cross-Section Ceramic On-Demand Extrusion Components, Austin J. Martin, Wenbin Li, Jeremy Lee Watts, Gregory E. Hilmas, Ming-Chuan Leu, Tieshu Huang

Mathematics and Statistics Faculty Research & Creative Works

Ceramic On-Demand Extrusion (CODE) is a direct ink writing process which allows for the creation of near theoretically dense ceramic components with large cross-sections due to oil-assisted drying. Yttria-stabilized zirconia (YSZ) colloidal pastes (∼d50 ≲ 1 µm) were used in CODE to produce dense (multi-road infill and ≳ 98% relative density), large continuous volume (> 1 cm3), and high fidelity (nozzle diameters ≲ 1 mm) structural ceramic components. However, many of these printed components underwent significant particle migration after forming. The reason for this particle migration defect was investigated using the coffee-ring effect for dilute solutions and rheological methods for …

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Anisotropic Characterization Of Additively Manufactured Ti 6-4 Via Tension, Compression, And Three Point Bend Experimentation, James M. Gunderson Mar 2023

Anisotropic Characterization Of Additively Manufactured Ti 6-4 Via Tension, Compression, And Three Point Bend Experimentation, James M. Gunderson

Theses and Dissertations

Titanium's ability to fill existing material gaps because of its higher strength and higher melting temperature compared to other common materials used in aircraft structures requires a need to understand the behavior of the material. Titanium's properties and the development of additive manufacturing also open an opportunity for it to be used in aerospace systems of the future in applications where traditionally manufactured titanium cannot meet the desired system requirements. Compressive, tensile, and three point bend experimental data collected from this research under varying temperatures, print orientations, print layer build heights, and surface finishes were analyzed to determine favorable material …

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Development Of Novel Turbomachinery Manufacturing Methods, Timothy P. Winkler Mar 2023

Development Of Novel Turbomachinery Manufacturing Methods, Timothy P. Winkler

Theses and Dissertations

Compact turbine engines are of increasing interest as a means of propulsion for small, lightweight, low cost, unmanned aerial systems. This study looks to leverage advancements in novel manufacturing technology to produce turbomachinery components while simultaneously reducing costs and manufacturing time. To determine the feasibility of drop-in replacements for stock components this study focused on several research areas. This included materials research on both polymer-reinforced and ceramic materials, specimen tensile testing to determine temperature-dependent material properties, finite element analysis of multiple candidate materials, design and fabrication of a spin test rig, and physical spin testing of manufactured components to predict …

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Material Property Dependence Of Nanoparticle Silicon Carbide Alloying In Additively Manufactured Molybdenum, Andrew P. Mason Mar 2023

Material Property Dependence Of Nanoparticle Silicon Carbide Alloying In Additively Manufactured Molybdenum, Andrew P. Mason

Theses and Dissertations

The structural performance of additively manufactured Mo printed by LPBF can be significantly improved by nanoparticle alloying. Previous AFIT studies of SiC nanoparticle addition conducted by Ellsworth (2022) et al. demonstrated increased powder consolidation, leading to reduced porosity, increased microhardness, and a shift in atomic defect concentrations. The addition of defected SiC particles is proposed to reduce in situ oxidation by acting as a sacrificial oxidizing agent and contributing to the formation of Mo disilicide secondary phases. This study investigated the relationship between laser powder bed fusion Mo microscale and nanoscale properties with varying SiC particle size while maintaining a …

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Precious Plastics - Plastic Brick Machine Fabrication, Timothy Ukaobasi Kanu, Evi Paraskevi Troulis Mar 2023

Precious Plastics - Plastic Brick Machine Fabrication, Timothy Ukaobasi Kanu, Evi Paraskevi Troulis

Architectural Engineering

The goal of this research is to determine the structural parameters of the recycled plastic polypropylene when molded into bricks resembling CMU blocks. To accomplish this, three mechanisms had to be assembled: the shredder, the injector, and the 1x1 mold. A tensile and compression test were to be performed on the plastic brick, and the values would be used to compare the tensile and compressive strength of PP plastic bricks, as well as their modulus of elasticity and stress vs. Strain performance. These values would be analyzed to determine whether it would be feasible to build an entire plastic wall. …

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Angle Resolved Photoelectron Spectroscopy Study Of Germanium Tin: Experimentally Determined Electronic Band Gap And Surface Analysis, Jeremy M. Hunter Mar 2023

Angle Resolved Photoelectron Spectroscopy Study Of Germanium Tin: Experimentally Determined Electronic Band Gap And Surface Analysis, Jeremy M. Hunter

Theses and Dissertations

The germanium tin band gap is responsive to wavelengths in the mid to near infrared spectrum; this shows promise in meeting the detection demands of the next generation infrared detectors. Recent developments in germanium tin (GeSn) alloy growth techniques have peaked the scientific community’s interest in GeSn based optoelectrical and detection devices. Detection materials made entirely of group IV elements are compatible with complementary metal-oxide semiconductor manufacturing techniques. Understanding the surface chemistry of this alloy is fundamental for solid state device design and must be analyzed to optimize device performance. Studies have shown that with the addition of tin, the …

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Characterizing Gesn Alloys By Sem/Eds And Photoluminescence Spectroscopy, Christopher M. Sutphin Mar 2023

Characterizing Gesn Alloys By Sem/Eds And Photoluminescence Spectroscopy, Christopher M. Sutphin

Theses and Dissertations

Germanium tin (GeSn) alloys are being studied as potential transition metal (Group IV) photoelectric semiconductors or optical detectors. GeSn alloys could be employed as an optically active material within a computer. Compared to current technologies, a direct band gap GeSn alloy can be engineered to operate with higher thermal stability and efficiency. The GeSn alloy studied was composed of Ge and Si substrates with various Sn percentages grown using remote plasma-enhanced chemical vapor deposition (RPECVD). Photoluminescence spectroscopy (PL) techniques were initially used to determine the GeSn properties, including the band gap. The Ge91.2Sn8.8 PL spectra suggested the …

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Description Of Reaction And Vibrational Energetics Of Co2-Nh3interaction Using Quantum Computing Algorithms, Manh Tien Nguyen, Yueh-Lin Lee, Dominic Alfonso, Qing Shao, Yuhua Duan Mar 2023

Description Of Reaction And Vibrational Energetics Of Co2-Nh3interaction Using Quantum Computing Algorithms, Manh Tien Nguyen, Yueh-Lin Lee, Dominic Alfonso, Qing Shao, Yuhua Duan

Markey Cancer Center Faculty Publications

CO2 capture is critical to solving global warming. Amine-based solvents are extensively used to chemically absorb CO2. Thus, it is crucial to study the chemical absorption of CO2 by amine-based solvents to better understand and optimize CO2 capture processes. Here, we use quantum computing algorithms to quantify molecular vibrational energies and reaction pathways between CO2 and a simplified amine-based solvent model—NH3. Molecular vibrational properties are important to understanding kinetics of reactions. However, the molecule size correlates with the strength of anharmonicity effect on vibrational properties, which can be challenging to address using classical computing. Quantum computing can help enhance molecular …

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Austenite Formation And Manganese Partitioning During Double Soaking Of An Ultralow Carbon Medium-Manganese Steel, Josh J. Mueller, Alexandra G. Glover, David K. Matlock, John G. Speer, Emmanuel De Moor Mar 2023

Austenite Formation And Manganese Partitioning During Double Soaking Of An Ultralow Carbon Medium-Manganese Steel, Josh J. Mueller, Alexandra G. Glover, David K. Matlock, John G. Speer, Emmanuel De Moor

Michigan Tech Publications, Part 1

Double soaking (DS) is a thermal processing route intended to produce austenite–martensite microstructures in steels containing austenite-stabilizing additions and consists of intercritical annealing (primary soaking), followed by heating and brief isothermal holding at an increased temperature (secondary soaking), and quenching. Herein, experimental dilatometry during DS of a medium-manganese (Mn) steel with nominally 7 wt% Mn and an ultralow residual carbon concentration, in combination with phase-field simulations of austenite formation during secondary soaking, is presented. The feasibility of maintaining heterogeneous Mn distributions during DS is demonstrated and insight is provided on the effects of the secondary soaking temperature and prior Mn …

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Influence Of Dilute Silicon Carbide Nanoparticle Additions To The Microstructure And Mechanical Properties Of Laser Powder Bed Fusion Molybdenum, Nathan E. Ellsworth Mar 2023

Influence Of Dilute Silicon Carbide Nanoparticle Additions To The Microstructure And Mechanical Properties Of Laser Powder Bed Fusion Molybdenum, Nathan E. Ellsworth

Theses and Dissertations

Consolidation of pure molybdenum through laser powder bed fusion and other additive manufacturing techniques is complicated by a high melting temperature, thermal conductivity, and ductile-to-brittle transition temperatures. Nano-sized silicon carbide particles (0.1 wt%) were homogeneously mixed with molybdenum powder and the printing characteristics, chemical composition, microstructure, and mechanical properties were compared to pure molybdenum for scan speeds of 100, 200, 400, and 800 mm/s. The addition of silicon carbide improved the consolidation and mechanical properties and the oxygen content was reduced. Two mechanisms of oxygen reduction were identified as responsible for the improvements: oxidation of free carbon and the creation …

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Experimental And Computational Bearing Strength Of Fiber Metal Laminate With And Without Film Adhesive, Christopher L. Bellanova Jr. Mar 2023

Experimental And Computational Bearing Strength Of Fiber Metal Laminate With And Without Film Adhesive, Christopher L. Bellanova Jr.

Theses and Dissertations

This research characterized the performance of a fiber metal laminate composed of carbon fiber and stainless steel without film adhesive and compared it to a similar, previously tested, fiber metal laminate including film adhesive. Removal of the adhesive layers reduced the localized thickness, simplified manufacturing, and allowed for a 20% increase in foil thickness. Quasi-static testing was conducted in double shear, single shear protruding, and single shear countersunk configurations. The results were compared to adhesive hybrid and control samples. To study the affects of bolt tension, samples at low torque in double shear were also tested. Progressive failure samples revealed …

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Anodic Electrocatalysis Of Glycerol Oxidation For Hybrid Alkali/Acid Electrolytic Hydrogen Generation, Xin Feng, Bo-Wen Liu, Ke-Xin Guo, Lin-Feng Fan, Gen-Xiang Wang, Su-Qin Ci, Zhen-Hai Wen Feb 2023

Anodic Electrocatalysis Of Glycerol Oxidation For Hybrid Alkali/Acid Electrolytic Hydrogen Generation, Xin Feng, Bo-Wen Liu, Ke-Xin Guo, Lin-Feng Fan, Gen-Xiang Wang, Su-Qin Ci, Zhen-Hai Wen

Journal of Electrochemistry

Electrolytic hydrogen production is heavily restricted by high-energy consumption majorly due to the relatively high potential of anodic oxygen evolution reaction (OER). Development of OER-alternative reaction at the anode has been recently proposed as a promising pathway to address the associated issues. In this work, we report a hybrid acid/alkali dual-electrolyte electrolyzer by coupling acidic hydrogen evolution reaction (HER) using commercial Pt/C cathode with alkaline Electrocatalytic glycerol oxidation (GOR) which is implemented by developing a nickel foam (NF) supporting Co3O4 nanosheets anode that shows low overpotential and high selectivity toward GOR for formate production. The hybrid acid/alkali …

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Highly Dispersed Pt Nanoparticles Root In Single-Atom Fe Sites In Ldhs Toward Efficient Methanol Oxidation, Qing-Cheng Meng, Lin-Bo Jin, Meng-Ze Ma, Xue-Qing Gao, Ai-Bing Chen, Dao-Jin Zhou, Xiao-Ming Sun Feb 2023

Highly Dispersed Pt Nanoparticles Root In Single-Atom Fe Sites In Ldhs Toward Efficient Methanol Oxidation, Qing-Cheng Meng, Lin-Bo Jin, Meng-Ze Ma, Xue-Qing Gao, Ai-Bing Chen, Dao-Jin Zhou, Xiao-Ming Sun

Journal of Electrochemistry

Active and durable electrocatalysts for methanol oxidation reaction are of critical importance to the commercial viability of direct methanol fuel cell, which has already attracted growing popularities. However, current methanol oxidation electrocatalysts fall far short of expectations and suffer from excessive use of noble metal, mediocre activity, and rapid decay. Here we report the Pt anchored on NiFe-LDHs surface hybrid for stable methanol oxidation in alkaline media. Based on the high intrinsic methanol oxidation activity of Pt nanoparticles, the substrates NiFe-LDHs further enhanced anti-poisoning ability and maintained unaffected stability after 200,000 s cycle test compared to commercial Pt/C catalyst. The …

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Preface To Special Issue On Electrocatalysis And Electrosynthesis, Fang-Yi Cheng, Shuang-Yin Wang, Tian-Hua Zhou Feb 2023

Preface To Special Issue On Electrocatalysis And Electrosynthesis, Fang-Yi Cheng, Shuang-Yin Wang, Tian-Hua Zhou

Journal of Electrochemistry

No abstract provided.

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Advances And Challenges On Cathode Catalysts For Lithium-Oxygen Batteries, Bo Wen, Zhuo Zhu, Fu-Jun Li Feb 2023

Advances And Challenges On Cathode Catalysts For Lithium-Oxygen Batteries, Bo Wen, Zhuo Zhu, Fu-Jun Li

Journal of Electrochemistry

Aprotic lithium-oxygen batteries (LOBs) with high theoretical energy density have received considerable attention over the past years. However, the oxygen reduction reaction (ORR)/oxygen evolution reaction (OER) at cathodes suffer from slow kinetics for large overvoltages in LOBs. Significant advances on catalysts have been achieved to accelerate cathode kinetics, but understanding on the formation/decomposition processes of Li2O2 is limited. Herein, this review highlights the fundamental understanding of the correlation between catalysts and formation/decomposition of Li2O2. Various types of cathode catalysts are discussed to reveal the mechanism of formation/decomposition of Li2O2, …

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Recent Advances In Anode Materials Of Solid Oxide Electrolysis Cells, Geng Zou, Wei-Cheng Feng, Yue-Feng Song, Guo-Xiong Wang Feb 2023

Recent Advances In Anode Materials Of Solid Oxide Electrolysis Cells, Geng Zou, Wei-Cheng Feng, Yue-Feng Song, Guo-Xiong Wang

Journal of Electrochemistry

Solid oxide electrolysis cell (SOEC) as an electrochemical energy conversion device has attracted increasing attention due to its large current density, high Faradaic efficiency and energy efficiency. Oxygen evolution reaction at the anode, a four-electron transfer process, is an important half-reaction for SOEC, which contributes to the main polarization resistance and consumes most electric energy during the electrolysis process. Hence, designing anode materials with high activity and stability is crucial for the performance improvement and practical application of SOEC. Recently, some advances have been made in the development of high-performance anode. In the current review, the mechanisms for CO2 …

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Hybrid Modeling For Electrochemical Systems, Luis Alejandro Briceno-Mena Feb 2023

Hybrid Modeling For Electrochemical Systems, Luis Alejandro Briceno-Mena

LSU Doctoral Dissertations

The discovery of new materials like catalysts, polymeric films, and biomolecules, is driven by industrial needs such as improving reaction or separation selectivity, enhancing therapeutic effects on medical treatments, or reducing costs of replacement. However, deployment of these advances in industrial applications is often hindered by the lack of models needed for design and optimization. Due to the novelty of materials and devices, experimental data and first principles' knowledge are scarce, making it hard to build models either via data-driven or knowledge based approaches. In this context, a way to efficiently combine domain knowledge with data could provide a pathway …

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Hemodynamic Investigations In Intracranial Aneurysms: A Commentary, Hang Yi, Mark Johnson, Luke Bramlage, Zifeng Yang, Bryan Ludwig Feb 2023

Hemodynamic Investigations In Intracranial Aneurysms: A Commentary, Hang Yi, Mark Johnson, Luke Bramlage, Zifeng Yang, Bryan Ludwig

Mechanical and Materials Engineering Faculty Publications

Intracranial aneurysms (IAs) are abnormal bulges in a blood vessel in the brain that have a potential to rupture and even causing a stroke, which can lead to lasting brain damage, long-term disability, or even loss of life. It has been widely acknowledged that hemodynamic factors, e.g., instantaneous wall shear stress, time-averaged wall shear stress, wall shear stress gradient, gradient oscillatory number, oscillatory shear index, pulsatile blood flow waveform (flow rate magnitude and shape, physical flow period), relative residence time/turnover time, blood pressure, and vortex (i.e., size, location, and numbers), have a close relationship with the pathobiology (i.e., initiation, growth, …

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Can Grid-Tied Solar Photovoltaics Lead To Residential Heating Electrification? A Techno-Economic Case Study In The Midwestern U.S., Nelson Sommerfeldt, Joshua M. Pearce Feb 2023

Can Grid-Tied Solar Photovoltaics Lead To Residential Heating Electrification? A Techno-Economic Case Study In The Midwestern U.S., Nelson Sommerfeldt, Joshua M. Pearce

Michigan Tech Publications, Part 1

This study aims to quantify the techno-economic potential of using solar photovoltaics (PV) to support heat pumps (HP) towards the replacement of natural gas heating in a representative North American residence from a house owner's point of view. For this purpose, simulations are performed on: (1) a residential natural gas-based heating system and grid electricity, (2) a residential natural gas-based heating system with PV to serve the electric load, (3) a residential HP system with grid electricity, and (4) a residential HP+PV system. Detailed descriptions are provided along with a comprehensive sensitivity analysis for identifying specific boundary conditions that enable …

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Accurate Evaluation Of The Direction-Dependent Mechanical Properties Of Ideal Single Crystals: A Comparative Ab Initio Study, Jaylan Ali Elhalawani Feb 2023

Accurate Evaluation Of The Direction-Dependent Mechanical Properties Of Ideal Single Crystals: A Comparative Ab Initio Study, Jaylan Ali Elhalawani

Theses and Dissertations

The mechanical properties of a single crystal or a grain in a polycrystalline material are highly dependent on the direction of the applied load. Key properties of interest are the Young’s modulus and the Poisson ratio in the small strain limit, and the ideal tensile strength in the large strain regime. Prior atomistic computations of these properties interchangeably used two approaches. In one approach the stress-strain response is explicitly calculated via a numerical tensile test experiment. In the second approach the second order single crystal elastic constants are computed via small deformations and then used in analytical equations to derive …

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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 …

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