Machine Learning Assisted Discovery Of High-Performance Perovskites For Hydrogen Production,
2024
Clemson University
Machine Learning Assisted Discovery Of High-Performance Perovskites For Hydrogen Production, Ximei Zhai
All Dissertations
Hydrogen has significantly contributed to the global energy transition as a clean energy carrier. However, traditional hydrogen production involves energy-intensive processes with heavy carbon emissions. High-temperature water splitting to generate hydrogen has become a promising route for clean hydrogen production. Directly utilizing concentrated solar heat to perform solar thermochemical hydrogen (STCH) production is considered one of the most eco-friendly hydrogen production options. At the same time, high-temperature electrolysis in protonic ceramic electrolysis cells (PCECs) can efficiently utilize intermittent and cost-effective renewable electricity to produce hydrogen. Perovskite oxides with good redox capability and tolerance for oxygen deficiency are considered the most …
Thermal Conductivity Of Thin Porous Ceramic Coatings: An Analytical And Experimental Study,
2024
Florida Institute of Technology
Thermal Conductivity Of Thin Porous Ceramic Coatings: An Analytical And Experimental Study, Lei Zhao
Theses and Dissertations
An analytical model of the thermal conductivity of the porous yttrium-stabilized zirconia (YSZ) layer used in the thermal barrier coatings (TBCs) is presented. Such high-temperature resistant coatings are essential to protect the metallic components of gas turbine engines. The model calculates the conductivity based on the coating's porosity, pore size distribution, and pore morphology, including the individual pore cross-section area, aspect ratio, and orientation, which are extracted from the scanning electron microscopy images. The model was verified through comparisons with numerical simulation results from a multiphysics software tool. A laser temperature gradient test was performed to validate the analytical model …
Hardness Of Single Phase High Entropy Carbide Ceramics With Different Compositions,
2024
Missouri University of Science and Technology
Hardness Of Single Phase High Entropy Carbide Ceramics With Different Compositions, Paul M. Brune, Gregory E. Hilmas, William G. Fahrenholtz, Jeremy Lee Watts, Caillin J. Ryan, Chris M. Desalle, Douglas E. Wolfe, Stefano Curtarolo
Materials Science and Engineering Faculty Research & Creative Works
Five High Entropy Carbide Ceramics, (Hf0.2,Nb0.2,Ta0.2,Ti0.2,Zr0.2)C, (Cr0.2,Hf0.2,Ta0.2,Ti0.2,Zr0.2)C, (Hf0.2,Mo0.2,Ta0.2,Ti0.2,Zr0.2)C, (Hf0.2,Ta0.2,Ti0.2,W0.2,Zr0.2)C, and (Hf0.2,Mo0.2,Ti0.2,W0.2,Zr0.2)C, Were Synthesized by Carbothermal Reduction of Oxides and Direct Current Sintering. the Five High Entropy Carbide Ceramics Were Determined to Be Nominally Phase-Pure with Relative Densities of More Than 98.9% and Mean Grain Sizes of Less Than 5 Μm. Average Vickers Hardness Values Ranged from 19.2 ± 0.4 GPa for (Hf0.2,Nb0.2,Ta0.2,Ti0.2,Zr0.2)C at a Load of 2 Kgf to 43.5 ± 0.4 GPa for (Hf0.2,Mo0.2,Ti0.2,W0.2,Zr0.2)C at a Load of 0.05 Kgf. Hardness Generally Increased with Increasing the Valence Electron Concentration and Strain as Measured by the Williamson-Hall Analysis. However, Neither …
Advancements In Characterization Of Ancient Potteries From Southeast Asia: A Review Of Analytical Techniques,
2024
Division of Physics, School of Science, Walailak University, Nakhon Si Thammarat 80160, Thailand
Advancements In Characterization Of Ancient Potteries From Southeast Asia: A Review Of Analytical Techniques, Chitnarong Sirisathitkul
Makara Journal of Science
Ancient potteries offer valuable information regarding technological advancements, life dynamics, cultural diversity, and trade routes in the past. Earthenware, stoneware, and porcelain from Southeast Asia have been characterized using several analytical techniques, as reviewed in this article. Fluorescent and diffracted X-rays give rise to elemental and phase compositions, respectively. Examination of molecular bonds requires vibrational spectroscopy, which is useful for the identification of organic materials in ancient potteries. With the advent of portable X-ray fluorescence and Raman spectrometry, on-site analysis of archeological ceramics is now possible. For in-depth analysis, synchrotron light sources can provide new insights into artifacts through X-ray …
Effect Of The Filler Morphology On The Crystallization Behavior And Dielectric Properties Of The Polyvinylidene Fluoride-Based Composite,
2024
Missouri University of Science and Technology
Effect Of The Filler Morphology On The Crystallization Behavior And Dielectric Properties Of The Polyvinylidene Fluoride-Based Composite, Suzana Filipović, Nina Obradović, Cole Corlett, William G. Fahrenholtz, Martin Rosenschon, Ekkehard Füglein, Radovan Dojčilović, Dragana Tošić, Jovana Petrović, Antonije Đorđević, Branislav Vlahović, Vladimir B. Pavlović
Materials Science and Engineering Faculty Research & Creative Works
Ceramic/polymer composites can be chemically stable, mechanically strong, and flexible, which make them candidates for electric devices, such as pressure or temperature sensors, energy storage or harvesting devices, actuators, and so forth. Depending on the application, various electrical properties are of importance. Polymers usually have low dielectric permittivity, but increased dielectric permittivity can be achieved by the addition of the ceramic fillers with high dielectric constant. With the aim to enhance dielectric properties of the composite without loss of flexibility, 5 wt.% of BaTiO3-Fe2O3 powder was added into a polyvinylidene fluoride matrix. The powder was …
Dielectric Properties Of Polycrystalline And Single-Crystal Magnesium Oxide At High Temperatures,
2024
Missouri University of Science and Technology
Dielectric Properties Of Polycrystalline And Single-Crystal Magnesium Oxide At High Temperatures, Alan Devoe, Hung Trinh, Fatih Dogan
Materials Science and Engineering Faculty Research & Creative Works
The electrical properties of high-purity magnesium oxide (MgO) samples sintered between 1500 and 1650°C were investigated up to 800°C. Dielectric constant, loss tangent and electrical conductivity were measured between 25 and 800°C. Optimum electrical properties were obtained for the sample sintered at 1600°C. The impurities in polycrystalline and single crystal MgO were discussed to understand their effect on electrical properties and the role of grain boundaries. Higher dielectric losses of polycrystalline samples as compared to the single crystal MgO were attributed to the presence of grain boundaries. MgO could be a useful dielectric material for capacitor applications up to 600°C.
A Priori Procedure To Establish Spinodal Decomposition In Alloys,
2024
Missouri University of Science and Technology
A Priori Procedure To Establish Spinodal Decomposition In Alloys, Simon Divilov, Hagen Eckert, Cormac Toher, Rico Friedrich, Adam C. Zettel, Donald W. Brenner, William G. Fahrenholtz, Douglas E. Wolfe, Eva Zurek, Jon Paul Maria, Nico Hotz, Xiomara Campilongo, Stefano Curtarolo
Materials Science and Engineering Faculty Research & Creative Works
Spinodal decomposition can improve a number of essential properties in materials, especially hardness. Yet, the theoretical prediction of the onset of this phenomenon (e.g., temperature) and its microstructure (e.g., wavelength) often requires input parameters coming from costly and time-consuming experimental efforts, hindering rational materials optimization. Here, we present a procedure where such parameters are not derived from experiments. First, we calculate the spinodal temperature by modeling nucleation in the solid solution while approaching the spinode boundary. Then, we compute the spinodal wavelength self-consistently using a few reasonable approximations. Our results show remarkable agreement with experiments and, for NiRh, the calculated …
Influence Of Environmental Barrier Coatings On The Overall Effectiveness Of A Film Cooled Ceramic Matrix Composite Plate,
2024
Air Force Institute of Technology
Influence Of Environmental Barrier Coatings On The Overall Effectiveness Of A Film Cooled Ceramic Matrix Composite Plate, Shane P. Lindsay
Theses and Dissertations
Silicon carbide ceramic matrix composites, a promising new potential upgrade over the conventional metals currently used for jet engine turbine blades, have a propensity to oxidize in a combustion environment. Engine manufacturers often apply environmental barrier coatings to prevent the composites from oxidizing. What is unclear, however, is how environmental barrier coatings effect underlying composite temperatures. This research examined the coatings’ effects by first characterizing the influence of environmental barrier coatings on the underlying temperature of a protected ceramic, then evaluating the significance of lateral conduction for cooling a coated ceramic, and finally comparing cooling results for coated and uncoated …
Degradation Of The Mechanical Properties And Hydrogen Generation In Cement Under Gamma Irradiation Assessed By Atomistic Simulation,
2024
American University in Cairo
Degradation Of The Mechanical Properties And Hydrogen Generation In Cement Under Gamma Irradiation Assessed By Atomistic Simulation, Omar Al Najjar
Theses and Dissertations
Although understanding the effect of the gamma-ray on cement-based materials is essential for many applications, such as the concrete contaminate of nuclear reactors or the storage of radioactive waste in cement-based waste forms, such understanding is still not fully developed. The importance of having such an understanding is becoming of utmost importance, especially with calls to extend the lifetime of nuclear power plants, and also due to some recent incidents of failures of the concrete structure in the nuclear fields. In this work, the details of preparing three molecular models as a representative structure of the main binding phase of …
Dielectric Properties Of Polycrystalline And Single Crystal (100) Strontium Titanate From 4 To 295 K,
2024
Missouri University of Science and Technology
Dielectric Properties Of Polycrystalline And Single Crystal (100) Strontium Titanate From 4 To 295 K, Hung Trinh, Alan Devoe, Fatih Dogan
Materials Science and Engineering Faculty Research & Creative Works
The dielectric properties of single crystal and polycrystalline SrTiO3 (ST) were investigated from 295 to 4 K. Relative permittivity (εr) and loss tangent (tan(δ)) were measured systematically as a function of direct current (DC) voltage (0 V/cm to 800 V/cm), frequency (100 Hz to 1 MHz), and temperature (295 K to 4 K) for type (100) single crystal SrTiO3 (SC-ST) and for polycrystalline SrTiO3 (PC-ST). Calculated equivalent series resistance (ESR) data are also reported. Overall, the permittivity of ST showed a dependence on temperature, DC voltage, and frequency. Dependences on voltage and frequency were only observed at …
Synergistic Hardening In A Dual Phase High-Entropy (Hf,Nb,Ta,Ti,Zr)C–(Hf,Nb,Ta,Ti,Zr)B2 Ultra-High Temperature Ceramic,
2024
Missouri University of Science and Technology
Synergistic Hardening In A Dual Phase High-Entropy (Hf,Nb,Ta,Ti,Zr)C–(Hf,Nb,Ta,Ti,Zr)B2 Ultra-High Temperature Ceramic, Rubia Hassan, William G. Fahrenholtz, Gregory E. Hilmas, Stefano Curtarolo
Materials Science and Engineering Faculty Research & Creative Works
A dual phase high-entropy (Hf,Nb,Ta,Ti,Zr)C–(Hf,Nb,Ta,Ti,Zr)B2 ultra-high temperature ceramic was synthesized using a single step boro-carbothermal reduction route. The synthesized powder was densified by spark plasma sintering at 2000°C, resulting in complete solid solution formation and a relative density of ≈99%. The dual phase ceramic was 43 vol% high-entropy carbide and 57 vol% high-entropy boride. The grain sizes were 0.85 ± 0.34 µm for the carbide and 0.87 ± 0.33 µm for the boride with minimal residual oxide (0.2 vol%) detected in the microstructure. The resulting composition had a higher microhardness than the individual boride and carbide ceramics across the range …
Cf/Sic Ceramic Matrix Composites With Extraordinary Thermomechanical Properties Up To 2000 °C,
2024
Missouri University of Science and Technology
Cf/Sic Ceramic Matrix Composites With Extraordinary Thermomechanical Properties Up To 2000 °C, Min Sung Park, Jian Gu, Heesoo Lee, Sea Hoon Lee, Lun Feng, William Fahrenholtz
Materials Science and Engineering Faculty Research & Creative Works
The thermomechanical properties of carbon fiber reinforced silicon carbide ceramic matrix composites (Cf/SiC CMCs) were studied up to 2000 °C using high temperature in situ flexural testing in argon. The CMC specimens were fabricated using an ultrahigh concentration (66 vol%) aqueous slurry containing nano-sized silicon carbide powder. The SiC powder compacts were obtained by drying the slurry and were densified using the precursor impregnation and pyrolysis (PIP) method with field assisted sintering technology/spark plasma sintering (FAST/SPS). The high relative density of the SiC green body (77.6%) enabled densification within 2.5 days using four PIP cycles. In contrast, conventional PIP processes …
Thermal And Electrical Properties Of Single-Phase High Entropy Carbide Ceramics,
2024
Missouri University of Science and Technology
Thermal And Electrical Properties Of Single-Phase High Entropy Carbide Ceramics, Paul M. Brune, Gregory E. Hilmas, William G. Fahrenholtz, Jeremy Lee Watts, Stefano Curtarolo
Materials Science and Engineering Faculty Research & Creative Works
Thermal and Electrical Properties Were Investigated for Five Nominally Phase-Pure High Entropy Carbide Ceramics. the Compositions (Hf0.2Nb0.2Ta0.2Ti0.2Zr0.2)C, (Cr0.2Hf0.2Ta0.2Ti0.2Zr0.2)C, (Hf0.2Mo0.2Ta0.2Ti0.2Zr0.2)C, (Hf0.2Ta0.2Ti0.2W0.2Zr0.2)C, and (Hf0.2Mo0.2Ti0.2W0.2Zr0.2)C Were Synthesized by Carbothermal Reduction of Oxides. the Thermal Diffusivity and Heat Capacity Were Measured from Room Temperature to 1800°C. the Room Temperature Thermal Conductivity Ranged from 5.1 W/mK for (Hf0.2Mo0.2Ti0.2W0.2Zr0.2)C to 9.0 W/mK for (Cr0.2Hf0.2Ta0.2Ti0.2Zr0.2)C. the Thermal Conductivity Increased over the Temperature Range with Maximum Conductivities of 19.6 W/mK Measured for (Hf0.2Mo0.2Ta0.2Ti0.2Zr0.2)C to 29.7 W/mK for (Cr0.2Hf0.2Ta0.2Ti0.2Zr0.2)C at 1800°C. the Electron Contribution to Thermal Conductivity Calculated from Measured Electrical Resistivity Varied from 41% to 52% of the …
Pressureless Sintering And Properties Of Additively Manufactured Zrb2–Sic,
2024
Missouri University of Science and Technology
Pressureless Sintering And Properties Of Additively Manufactured Zrb2–Sic, Marharyta Lakusta, Nicholas M. Timme, Jeremy L. Watts, William G. Fahrenholtz, Gregory E. Hilmas, David W. Lipke
Materials Science and Engineering Faculty Research & Creative Works
Densification behavior, grain growth kinetics, mechanical and thermal properties of pressurelessly sintered zirconium diboride–silicon carbide (ZrB2–SiC) fabricated by extrusion of high solids loading pastes have been studied. The effects of sintering temperature (1600–2300°C), heating rate during constant heating rate sintering (10–50°C/min), and time during isothermal sintering (3–24 h) on density and grain size were examined. The apparent activation energy for densification was determined to be 940 ± 90 kJ/mol, suggesting lattice diffusion as the dominant sintering mechanism. Grain growth of both ZrB2 and SiC followed a normal grain growth power law with grain growth exponent n = 2 indicating diffusion-controlled …
Bipolar Hipims Kick-Pulse For High Hardness In High-Entropy Boride Thin Films,
2024
Missouri University of Science and Technology
Bipolar Hipims Kick-Pulse For High Hardness In High-Entropy Boride Thin Films, Nathaniel S. Mcilwaine, Nestor O.Marquez Rios, Eva Zurek, Donald W. Brenner, William G. Fahrenholtz, Stefano Curtarolo, Douglas E. Wolfe, Jon Paul Maria
Materials Science and Engineering Faculty Research & Creative Works
We report a microhardness indentation study for multicomponent refractory metal boride thin films that belong to the family of high-entropy ceramics exhibiting superior hardness and high temperature properties. We focus on the nominally equimolar composition (Ti0.2Zr0.2Hf0.2Nb0.2Ta0.2) B2, which we refer to as HEB3, on c-plane sapphire substrates. Thin films are prepared using bipolar high power impulse magnetron sputtering (HiPIMS), where the positive kick pulse is optimized to produce films with high density, high crystallinity, and a microstructure that is isometric in nature as revealed by cross-sectional fracture surface imaging, X-ray diffraction, and X-ray reflectometry. Low-load Knoop indentation is used to …
A Concept Of Producing Aluminum In-Situ On The Moon Through Molten Salt Electrolysis,
2024
Missouri University of Science and Technology
A Concept Of Producing Aluminum In-Situ On The Moon Through Molten Salt Electrolysis, Jacob N. Ortega, Jeffrey Smith, Fateme Rezaei, David Bayless, William Schonberg, Daniel Stutts, Daoru Han
Materials Science and Engineering Faculty Research & Creative Works
This paper presents a concept of producing aluminum in-situ on the lunar surface, namely, the Lunar In-Situ Aluminum Production through Molten Salt Electrolysis (LISAP-MSE) method developed at Missouri University of Science and Technology. This paper aims to demonstrate the use of electro-deoxidation to reduce aluminum oxide (i.e., alumina) into aluminum and oxygen gas via electrolysis in a molten salt bath for the production of aluminum on the Moon. It is shown that with a steady supply of hydrogen chloride, this in-situ resource utilization (ISRU) method could supply several necessary materials consumed in the electro-deoxidation process except hydrogen chloride to produce …
Mechanisms Of Dendritic Shorting In Lithium Metal Batteries With Li7la3zr2o12 Solid Electrolytes,
2024
Claremont Colleges
Mechanisms Of Dendritic Shorting In Lithium Metal Batteries With Li7la3zr2o12 Solid Electrolytes, Lukas Karapin-Springorum
Pomona Senior Theses
Energy storage will play a crucial role in efforts to mitigate the effects of climate change caused by greenhouse gas emissions from human activity. Lithium metal batteries using solid electrolytes like Li7La3Zr2O12 have higher energy density than lithium-ion batteries, which may enable a more rapid and complete electrification of transportation. However, lithium metal batteries suffer from undesirable short-circuiting when metallic lithium deposits connect the two electrodes. It has been debated whether these lithium dendrites generally grow directionally from the anode or are generated by the reduction of lithium ions inside the solid electrolyte, …
Calculation Of Elastic Constants Of Bulk Metallic Glasses From Indentation Tests,
2024
Fuzhou University
Calculation Of Elastic Constants Of Bulk Metallic Glasses From Indentation Tests, Zhitong Xu, Ming Liu, Fuqian Yang
Chemical and Materials Engineering Faculty Publications
One of the challenges in the applications of instrumented indentation is to simultaneously measure elastic modulus and Poisson’s ratio of homogeneous, isotropic materials. This work proposes empirical equations for simultaneous calculation of elastic modulus and Poisson’s ratio of bulk metallic glasses (BMGs) from the ratio of the short diagonal length to the long diagonal length and the area of the Knoop imprint. The parameters pre- sented in the empirical equations are determined first by Knoop microhardness tests of 24 BMGs, whose elastic moduli and Poisson’s ratios are measured by resonant ultrasound spectroscopy. These empirical equations are further validated by the …
Spark Plasma Sintering Of Magnesium Titanate Ceramics,
2024
Missouri University of Science and Technology
Spark Plasma Sintering Of Magnesium Titanate Ceramics, Suzana Filipović, Nina Obradović, William G. Fahrenholtz, Steven Smith, Miljana Mirković, Adriana Peleš Tadić, Jovana Petrović, Antonije Đorđević
Materials Science and Engineering Faculty Research & Creative Works
Magnesium titanate ceramics were prepared by reactive spark plasma sintering (SPS) at 1200 °C for 5 min. Prior to sintering, MgO and TiO2 powders were mixed by high energy ball milling (HEBM) for 15, 30, or 60 min. The effect of milling time on phase composition was analyzed by X-ray diffraction (XRD) for milled powders and sintered specimens. The morphology of the sintered ceramics was investigated by scanning electron microscopy (SEM), while elemental distribution was determined by energy dispersive spectroscopy (EDS). The presence of the MgTi2O5 phase was detected in XRD and was confirmed by EDS analysis. Microcracking was …
Molecular Modeling Of Phenolic Resin For Carbon-Carbon Composites,
2024
Michigan Technological University
Molecular Modeling Of Phenolic Resin For Carbon-Carbon Composites, Ivan Gallegos
Dissertations, Master's Theses and Master's Reports
One of the most difficult challenges associated with space exploration is terrestrial atmospheric reentry due to the high thermal loads generated. Carbon carbon (C/C) composites have been used as heat shielding materials due to their high strengthto- weight ratio and thermal properties and their applications include heat shielding for various high temperature environments. C/C composites are manufactured by polymer-infiltration pyrolysis (PIP) via cycles of curing and pyrolysis of a prepreg which can be costly and take up to several days. Thus, C/C composites ideal candidates for computationally-driven optimization techniques, such as a multiscale Integrated Computational Materials Engineering (ICME) approach, by …
