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Materials Science and Engineering Faculty Research & Creative Works

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Full-Text Articles in Engineering

Atom Probe Tomography Of Segregation At Grain Boundaries And Gas Bubbles In Neutron Irradiated U-10 Wt% Mo Fuel, Maalavan Arivu, Andrew Hoffman, Mukesh Bachhav, Assel Aitkaliyeva, Yaqiao Wu, Brandon Miller, Dennis Keiser, Jian Gan, Haiming Wen Jun 2024

Atom Probe Tomography Of Segregation At Grain Boundaries And Gas Bubbles In Neutron Irradiated U-10 Wt% Mo Fuel, Maalavan Arivu, Andrew Hoffman, Mukesh Bachhav, Assel Aitkaliyeva, Yaqiao Wu, Brandon Miller, Dennis Keiser, Jian Gan, Haiming Wen

Materials Science and Engineering Faculty Research & Creative Works

During Neutron Irradiation to Fission Densities > 5.2 X 1021 Fiss/cm3, Xe Agglomerates Forming Gas Bubbles of Varying Size within the U-Mo Fuel Matrix. Herein, Segregation of Fission Products to Xe Bubbles and Grain Boundaries (GB) Were Studied using Atom Probe Tomography (APT). Segregation Behavior Was Found to Vary among GBs, Small Bubbles (<10 >Nm), and Larger Bubbles (>10 Nm). Solid Fission Products Were Enriched at GBs and Larger Bubbles, But Not at Small Bubbles. a Denuded Zone Was Identified Adjacent to a > 10 Nm Xe Gas Bubble and a GB.


Quasi-Static And Dynamic Deformation Of Aluminum Matrix Composites Reinforced By Core-Shell Al35ti15cu10mn20cr20 High-Entropy Alloy Particulates, Dezhi Zhu, Tingting Chen, Xiaoqiang Jin, Haiming Wen, Zhiqiang Fu, Shengguan Qu May 2024

Quasi-Static And Dynamic Deformation Of Aluminum Matrix Composites Reinforced By Core-Shell Al35ti15cu10mn20cr20 High-Entropy Alloy Particulates, Dezhi Zhu, Tingting Chen, Xiaoqiang Jin, Haiming Wen, Zhiqiang Fu, Shengguan Qu

Materials Science and Engineering Faculty Research & Creative Works

Core-Shell Structured Particles Are Potential Reinforcement Agents For Metal Matrix Composites. In This Work, Aluminum Matrix Composites Reinforced With Core-Shell Structured Al35Ti15Cu10Mn20Cr20 High-Entropy Alloy (HEA) Particles Were Fabricated By Spark Plasma Sintering (SPS) And High-Temperature Diffusion Post-Treatment. Dynamic Compression Behavior And Adiabatic Shear Failure Mechanism In The Composites Were Investigated By Split Hopkinson Pressure Bar (SHPB), Scanning Electron Microscopy And Transmission Electron Microscopy. Results Showed That The Shell Thickness Of The Core-Shell Particles Ranged From 0.4 To 1.6 Μm, Which Were Formed By Thermal Diffusion Between HEA Core And Aluminum Alloy. The 30 Vol% (Al35Ti15Cu10Mn20Cr20)p/2024Al Composite Showed A High Compressive …


Application Of The Immobilized Low-Activity Waste Glass Corrosion Model To The Static Dissolution Of 24 Statistically-Designed Alkali-Borosilicate Waste Glasses, Sebastien N. Kerisit, James J. Neeway, Charmayne E. Lonergan, Benjamin Parruzot, Jarrod V. Crum, Richard C. Daniel, Gary L. Smith, R. Matthew Asmussen Apr 2024

Application Of The Immobilized Low-Activity Waste Glass Corrosion Model To The Static Dissolution Of 24 Statistically-Designed Alkali-Borosilicate Waste Glasses, Sebastien N. Kerisit, James J. Neeway, Charmayne E. Lonergan, Benjamin Parruzot, Jarrod V. Crum, Richard C. Daniel, Gary L. Smith, R. Matthew Asmussen

Materials Science and Engineering Faculty Research & Creative Works

Glass corrosion models that capture the complex mechanisms of the glass-water reaction enable the prediction of nuclear waste glass durability in disposal scenarios. Parameterization of such models is challenging because of the need to capture changes in corrosion behavior with time, reaction conditions, and glass composition. Here, we describe and employ the ILAW (immobilized low-activity waste) glass corrosion model (IGCM) in geochemical simulations of static dissolution tests, at two temperatures (40 °C and 90 °C), for a matrix of 24 enhanced low-activity waste (eLAW) glasses statistically designed to cover a processable composition space defined by 8 major glass components (Al …


Decoding Crystallization Behavior Of Aluminoborosilicate Glasses: From Structural Descriptors To Quantitative Structure – Property Relationship (Qspr) Based Predictive Models, Yingcheng Zhang, Marco Bertani, Alfonso Pedone, Randall E. Youngman, Gregory Tricot, Aditya Kumar, Ashutosh Goel Apr 2024

Decoding Crystallization Behavior Of Aluminoborosilicate Glasses: From Structural Descriptors To Quantitative Structure – Property Relationship (Qspr) Based Predictive Models, Yingcheng Zhang, Marco Bertani, Alfonso Pedone, Randall E. Youngman, Gregory Tricot, Aditya Kumar, Ashutosh Goel

Materials Science and Engineering Faculty Research & Creative Works

Successful decoding of structural descriptors controlling the crystallization in multicomponent functional glasses can pave the way for the transition from the trial-and-error approach and empirical modeling for glass/glass-ceramic composition design toward more rational and scientifically rigorous Quantitative Structure-Property Relationship (QSPR) based models. However, due to the compositional and structural complexity of multicomponent glasses and the longer time and length scales associated with nucleation, the development and validation of QSPR models are still in it's infancy. The work presented in the article is an attempt to leap forward in this pursuit by combining the strengths of experimental and computational materials science …


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 Mar 2024

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 …


A Phenomenological Thermodynamic Energy Density Function For Ferroelectric Wurtzite Al1−Xscxn Single Crystals, Yijia Gu, Andrew C. Meng, Aiden Ross, Long Qing Chen Mar 2024

A Phenomenological Thermodynamic Energy Density Function For Ferroelectric Wurtzite Al1−Xscxn Single Crystals, Yijia Gu, Andrew C. Meng, Aiden Ross, Long Qing Chen

Materials Science and Engineering Faculty Research & Creative Works

A Landau-Devonshire thermodynamic energy density function for ferroelectric wurtzite aluminum scandium nitride (Al1−xScxN) solid solution is developed. It is parametrized using available experimental and theoretical data, enabling the accurate reproduction of composition-dependent ferroelectric properties, such as spontaneous polarization, dielectric permittivity, and piezoelectric constants, for both bulk and thin films. The maximum concentration of Sc for the wurtzite structure to remain ferroelectric is found to be 61 at. %. A detailed analysis of Al1−xScxN thin films reveals that the ferroelectric phase transition and properties are insensitive to substrate strain. This study lays the foundation for quantitative modeling of novel ferroelectric wurtzite …


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 Mar 2024

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 …


The Thermophysical Properties Of Tco2, Hong Zhong, Jason Lonergan, John S. Mccloy, Scott P. Beckman Mar 2024

The Thermophysical Properties Of Tco2, Hong Zhong, Jason Lonergan, John S. Mccloy, Scott P. Beckman

Materials Science and Engineering Faculty Research & Creative Works

Technetium-99 Is A Highly Radioactive Isotope With A Long Half-Life That Is Common In Nuclear Waste. It Volatizes At A Low Temperature, Which Poses A Significant Challenge To The Clean-Up And Containment Processes. Due To Difficulties In Purifying Technetium Compounds, Their Thermophysical Properties Have Not Been Measured Or Calculated. Here, First Principle Methods Are Used Along With The Quasi Quasi-Harmonic Harmonic Approximation To Compute The Debye Temperature, Volumetric Thermal Expansion Coefficient, Bulk Modulus, And Heat Capacity Of Rutile TcO2 For Temperatures Ranging From 0 To 1500 K And Applied Pressures Ranging From 0 To 255 GPa. The Computed Atomic Structures …


Fly Ash Coated With Alumina Sol For Improving Strength And Thermal Insulation Of Mullite Porous Ceramics, Minghui Li, Peilin Li, Qingqing Gao, Saisai Li, Ruoyu Chen, Haiming Wen, Canhua Li Feb 2024

Fly Ash Coated With Alumina Sol For Improving Strength And Thermal Insulation Of Mullite Porous Ceramics, Minghui Li, Peilin Li, Qingqing Gao, Saisai Li, Ruoyu Chen, Haiming Wen, Canhua Li

Materials Science and Engineering Faculty Research & Creative Works

The manufacturing of mullite porous ceramics with high strength and low thermal conductivity was achieved through foam gel-casting processes using fly ash coated with alumina sol layers. This research aimed to investigate the effect of alumina sol concentration on foaming slurry rheology, as well as the influence of alumina sol coating layers on the microstructure, phase compositions and properties of the resulting mullite porous ceramics. Increasing the alumina sol concentration from 5 to 20 wt% improved both the viscosity and thixotropy of the foaming slurries while enhanced the shear thinning behavior. Porous ceramics prepared with fly ash coated with alumina …


Hanford Low-Activity Waste Vitrification: A Review, José Marcial, Brian J. Riley, Albert A. Kruger, Charmayne E. Lonergan, John D. Vienna Jan 2024

Hanford Low-Activity Waste Vitrification: A Review, José Marcial, Brian J. Riley, Albert A. Kruger, Charmayne E. Lonergan, John D. Vienna

Materials Science and Engineering Faculty Research & Creative Works

This Paper Summarizes the Vast Body of Literature (Over 200 Documents) Related to Vitrification of the Low-Activity Waste (LAW) Fraction of the Hanford Tank Wastes. Details Are Provided on the Origins of the Hanford Tank Wastes that Resulted from Nuclear Operations Conducted between 1944 and 1989 to Support Nuclear Weapons Production. Waste Treatment Processes Are Described, Including the Baseline Process to Separate the Tank Waste into LAW and High-Level Waste Fractions, and the LAW Vitrification Facility Being Started at Hanford. Significant Focus is Placed on the Glass Composition Development and the Property-Composition Relationships for Hanford LAW Glasses. Glass Disposal Plans …


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 Jan 2024

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 …


Additive Manufacturing Of Novel Lightweight Insulation Refractory With Hierarchical Pore Structures By Direct Ink Writing, Saisai Li, Jiaxuan Xin, Ruoyu Chen, Haiming Wen Jan 2024

Additive Manufacturing Of Novel Lightweight Insulation Refractory With Hierarchical Pore Structures By Direct Ink Writing, Saisai Li, Jiaxuan Xin, Ruoyu Chen, Haiming Wen

Materials Science and Engineering Faculty Research & Creative Works

A direct ink writing process using fly ash foaming slurries was employed for the additive manufacturing of lightweight mullite insulation refractory with hierarchical pore structures. The viscosity, thixotropy, and shear thinning behavior of the inks were analyzed to investigate the effect of the inorganic binder and dispersant of the foaming inks. A slurry exhibiting excellent rheological characteristics was identified, consisting of 45 wt% fly ash floating beads, 55 wt% water, 3.0 wt% additional dispersant, and 6.0 wt% additional binder. Furthermore, through the optimization of printing parameters such as printing pressure and printing speed, notable enhancements were achieved in the pore …


Thermodynamic Analysis Of Metal Segregation In Dual Phase High Entropy Ceramics, Steven M. Smith, William G. Fahrenholtz, Gregory E. Hilmas, Stefano Curtarolo Jan 2024

Thermodynamic Analysis Of Metal Segregation In Dual Phase High Entropy Ceramics, Steven M. Smith, William G. Fahrenholtz, Gregory E. Hilmas, Stefano Curtarolo

Materials Science and Engineering Faculty Research & Creative Works

Equilibrium Gibbs' free energy calculations were used to determine metal segregation trends between boride and carbide solid solutions containing two metals that are relevant to dual phase high entropy ceramics. The model predicted that Ti had the strongest tendency to segregate to the boride phase followed by Zr, Nb, Mo, V, Hf, and Ta, which matches experimental results of measured compositions. The ratio of a metal in the carbide phase to the content of the same metal in the corresponding metal boride had a linear trend with the change in standard Gibbs' free energy of reaction for a metal carbide …


Dielectric Properties Of Polycrystalline And Single Crystal (100) Strontium Titanate From 4 To 295 K, Hung Trinh, Alan Devoe, Fatih Dogan Jan 2024

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 …


Morphology And Particle Size (Maps) Exercise: Testing The Applications Of Image Analysis And Morphology Descriptions For Nuclear Forensics, Stuart A. Dunn, Ian J. Schwerdt, David E. Meier, Naomi E. Marks, Thomas Shaw, Alexa Hanson, Kari Sentz, Meena Said, Richard A. Clark, Kyle A. Makovsky, Jason M. Lonergan, Matthew Gilbert Jan 2024

Morphology And Particle Size (Maps) Exercise: Testing The Applications Of Image Analysis And Morphology Descriptions For Nuclear Forensics, Stuart A. Dunn, Ian J. Schwerdt, David E. Meier, Naomi E. Marks, Thomas Shaw, Alexa Hanson, Kari Sentz, Meena Said, Richard A. Clark, Kyle A. Makovsky, Jason M. Lonergan, Matthew Gilbert

Materials Science and Engineering Faculty Research & Creative Works

Image analysis techniques have been applied and shown to be a valuable tool in nuclear forensics analysis. The interlaboratory exercise reported here has tested quantitative and qualitative approaches for characterizing nuclear materials. Particle size, surface features and morphology descriptions were compared by four laboratories on a common image set generated by Scanning Electron Microscopy and Digital Light Microscopy. Quantitative analysis of the image sets through the Morphological Analysis for Materials software highlighted the strength of image analysis, but also that the application of the software alone can introduce significant bias in the analysis. Qualitative morphology descriptions following the process outlined …


Dielectric Properties Of Polycrystalline And Single-Crystal Magnesium Oxide At High Temperatures, Alan Devoe, Hung Trinh, Fatih Dogan Jan 2024

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.


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 Jan 2024

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 …


A Super-Hard High Entropy Boride Containing Hf, Mo, Ti, V, And W, Suzana Filipovic, Nina Obradovic, Greg E. Hilmas, William G. Fahrenholtz, Donald W. Brenner, Jon Paul Maria, Douglas E. Wolfe, Eva Zurek, Xiomara Campilongo, Stefano Curtarolo Jan 2024

A Super-Hard High Entropy Boride Containing Hf, Mo, Ti, V, And W, Suzana Filipovic, Nina Obradovic, Greg E. Hilmas, William G. Fahrenholtz, Donald W. Brenner, Jon Paul Maria, Douglas E. Wolfe, Eva Zurek, Xiomara Campilongo, Stefano Curtarolo

Materials Science and Engineering Faculty Research & Creative Works

Super-Hard (Hf,Mo,Ti,V,W)B2 Was Synthesized by Boro-Carbothermal Reduction and Densified by Spark Plasma Sintering. This Composition Was Produced for the First Time as a Single-Phase Ceramic in the Present Research. the Optimized Ceramic Had a Single Hexagonal AlB2-Type Crystalline Phase with a Grain Size of 3.8 µm and Homogeneous Distribution of the Constituent Metals. the Vickers Hardness Exhibited the Indentation Size Effect, Increasing from 27 GPa at a Load of 9.8 N to as High as 66 GPa at a Load of 0.49 N. This is the Highest Hardness Reported to Date for High Entropy Boride Ceramics.


Vacancy Ordering In Zirconium Carbide With Different Carbon Contents, Yue Zhou, Jeremy Lee Watts, Cheng Li, William Fahrenholtz, Gregory E. Hilmas Nov 2023

Vacancy Ordering In Zirconium Carbide With Different Carbon Contents, Yue Zhou, Jeremy Lee Watts, Cheng Li, William Fahrenholtz, Gregory E. Hilmas

Materials Science and Engineering Faculty Research & Creative Works

Zirconium carbide (ZrCx) ceramics with different carbon contents were prepared by reactive hot-pressing. The rock-salt structure of ZrCx was the only phase detected by x-ray diffraction of the hot pressed ceramics. The relative densities of ZrCx decreased as carbon content increased, in general. The actual carbon contents were measured by completely oxidizing the ZrCx ceramics to ZrO2. For most compositions, the actual carbon contents were higher than nominal batched compositions, presumably due to carbon uptake from the graphite furnace and hot press dies. Selected area electron diffraction and neutron powder diffraction revealed the presence of carbon vacancy ordering …


Mechanism Underlying Effect Of Expansive Agent And Shrinkage Reducing Admixture On Mechanical Properties And Fiber-Matrix Bonding Of Fiber-Reinforced Mortar, Kamran Aghaee, Taihao Han, Aditya Kumar, Kamal Khayat Oct 2023

Mechanism Underlying Effect Of Expansive Agent And Shrinkage Reducing Admixture On Mechanical Properties And Fiber-Matrix Bonding Of Fiber-Reinforced Mortar, Kamran Aghaee, Taihao Han, Aditya Kumar, Kamal Khayat

Materials Science and Engineering Faculty Research & Creative Works

Expansive agent (EA) and shrinkage reducing admixture (SRA) are utilized to reduce shrinkage and risk of cracking in concrete. EA compensates shrinkage by initial expansion, and SRA reduces surface tension in the pore fluid. Although EA and SRA effectively reduce shrinkage, they can impair micro-structure of concrete at high contents. The shrinkage reduction effect of EA and SRA is well known; however, there is limited knowledge about their negative effect on microstructure and fiber matrix interfacial transition zone (ITZ). The current study explores the effect of using 10 % CaO-based EA, 2 % SRA, and their combination on mechanical, shrinkage, …


On The Prediction Of The Mechanical Properties Of Limestone Calcined Clay Cement: A Random Forest Approach Tailored To Cement Chemistry, Taihao Han, Bryan K. Aylas-Paredes, Jie Huang, Ashutosh Goel, Narayanan Neithalath, Aditya Kumar Oct 2023

On The Prediction Of The Mechanical Properties Of Limestone Calcined Clay Cement: A Random Forest Approach Tailored To Cement Chemistry, Taihao Han, Bryan K. Aylas-Paredes, Jie Huang, Ashutosh Goel, Narayanan Neithalath, Aditya Kumar

Materials Science and Engineering Faculty Research & Creative Works

Limestone calcined clay cement (LC3) is a sustainable alternative to ordinary Portland cement, capable of reducing the binder's carbon footprint by 40% while satisfying all key performance metrics. The inherent compositional heterogeneity in select components of LC3, combined with their convoluted chemical interactions, poses challenges to conventional analytical models when predicting mechanical properties. Although some studies have employed machine learning (ML) to predict the mechanical properties of LC3, many have overlooked the pivotal role of feature selection. Proper feature selection not only refines and simplifies the structure of ML models but also enhances these models' prediction performance and interpretability. This …


Switching Of Control Mechanisms During The Rapid Solidification Of A Melt Pool, Yijia Gu, Jiandong Yuan, Lianyi Chen Oct 2023

Switching Of Control Mechanisms During The Rapid Solidification Of A Melt Pool, Yijia Gu, Jiandong Yuan, Lianyi Chen

Materials Science and Engineering Faculty Research & Creative Works

The Solidification of Alloys is Typically Controlled by Solute Diffusion Due to the Solute Partitioning Happening at the Solid-Liquid Interface. in This Study, We Show that the Switching from Solute Diffusion-Controlled Growth to Thermal Diffusion-Controlled Growth May Happen at the Solidification Front during Rapid Solidification Processes of Alloys Such as Additive Manufacturing using a Phase-Field Model. the Switching is Found to Be Triggered by the Cooling of the Solid-Liquid Interface When It Becomes Colder Than the Solidus Temperature. the Switching Introduces a Sudden Jump of Growth Velocity, an Increase in Solute Concentration, and the Refining of the Resulting Microstructures. All …


Electrosteric Control Of The Aggregation And Yielding Behavior Of Concentrated Portlandite Suspensions, Sharu Bhagavathi Kandy, Narayanan Neithalath, Mathieu Bauchy, Aditya Kumar, Edward Garboczi, Torben Gaedt, Samanvaya Srivastava, Gaurav Sant Aug 2023

Electrosteric Control Of The Aggregation And Yielding Behavior Of Concentrated Portlandite Suspensions, Sharu Bhagavathi Kandy, Narayanan Neithalath, Mathieu Bauchy, Aditya Kumar, Edward Garboczi, Torben Gaedt, Samanvaya Srivastava, Gaurav Sant

Materials Science and Engineering Faculty Research & Creative Works

Portlandite (calcium hydroxide: CH: Ca (OH)2) suspensions aggregate spontaneously and form percolated fractal aggregate networks when dispersed in water. Consequently, the viscosity and yield stress of portlandite suspensions diverge at low particle loadings, adversely affecting their processability. Even though polycarboxylate ether (PCE)-based comb polyelectrolytes are routinely used to alter the particle dispersion state, water demand, and rheology of similar suspensions (e.g., ordinary portland cement suspensions) that feature a high pH and high ionic strength, their use to control portlandite suspension rheology has not been elucidated. This study combines adsorption isotherms and rheological measurements to elucidate the role of PCE composition …


Calibration Of The Johnson–Cook Model At High Temperatures For An Ultra-High Strength Crnimov Steel, Mario F. Buchely, S. Chakraborty, V. Athavale, Laura Bartlett, Ronald J. O'Malley, D. Field, K. Limmer, K. Sebeck Jul 2023

Calibration Of The Johnson–Cook Model At High Temperatures For An Ultra-High Strength Crnimov Steel, Mario F. Buchely, S. Chakraborty, V. Athavale, Laura Bartlett, Ronald J. O'Malley, D. Field, K. Limmer, K. Sebeck

Materials Science and Engineering Faculty Research & Creative Works

This paper presents a study on the thermo-mechanical behavior of an ultra-high strength CrNiMoV steel at high temperatures and medium strain rates through hot tensile tests. The material was examined in two conditions: as-cast/heat-treated (AC/HT) and as-rolled (AR). Tensile tests were conducted at temperatures of 800,900,1000,1100, and 1200°C, and strain rates of 0.1,1, and 10s−1. Inclusion and porosity analysis was also performed on the tensile specimens. The results revealed that the flow stress decreased by approximately 70% on average from 800°C to 1200°C, while increasing by approximately 32% on average from 0.1s−1 to 10s−1 in strain rate. The elongation exhibited …


A Strong And Ductile Cobalt-Free Solid-Solution Fe30ni30mn30cr10 Multi-Principal Element Alloy From Hot Rolling, Hans Pommerenke, Jiaqi Duan, Nathan Curtis, Victor Delibera, Adam Bratten, Andrew Hoffman, Mario F. Buchely, Ronald J. O'Malley, Haiming Wen Jul 2023

A Strong And Ductile Cobalt-Free Solid-Solution Fe30ni30mn30cr10 Multi-Principal Element Alloy From Hot Rolling, Hans Pommerenke, Jiaqi Duan, Nathan Curtis, Victor Delibera, Adam Bratten, Andrew Hoffman, Mario F. Buchely, Ronald J. O'Malley, Haiming Wen

Materials Science and Engineering Faculty Research & Creative Works

Most of the Face-Centered Cubic (FCC) Multi-Principal Element Alloys (MPEAs) Developed Thus Far Contain Cobalt. for Many Applications, it is Either required or Beneficial to Avoid Cobalt, Since Cobalt Has Long-Term Activation Issue (For Nuclear Applications), is Expensive, and is Considered a Critical Material. in Addition, FCC Structured Solid-Solution MPEAs Tend to Have Relatively Low Strength. a FCC Solid-Solution Fe30Ni30Mn30Cr10 (At %) MPEA Was Fabricated Via Arc Melting, Followed by Homogenization at 1100 °C for 12 H. the Alloy Was Hot Rolled at 1100 °C with a Total Reduction of Up to 97 %. the Microstructure Was Characterized and Mechanical …


Engineering Heterogeneous Nucleation During Solidification Of Multiphase Cast Alloys: An Overview, Simon (Semen) N. Lekakh, Jingjing Qing Jul 2023

Engineering Heterogeneous Nucleation During Solidification Of Multiphase Cast Alloys: An Overview, Simon (Semen) N. Lekakh, Jingjing Qing

Materials Science and Engineering Faculty Research & Creative Works

The theory of heterogeneous nucleation was initially developed as a part of condensed matter physics, and later it was used as an important engineering tool to design metallurgical processes. This success has led to wide applications of the theory in metallurgical practice. For example, engineering heterogeneous nucleation in ductile iron has been used to reduce shrinkage defects, suppress cementite formation, and modify the size and shape of microstructural constituencies. This demonstrates how theoretical knowledge could benefit industry practice. This overview aims to summarize the authors' published studies in co-authorship with colleagues and students, which covers different aspects of engineering heterogeneous …


Dissolution Rates Of Borophosphate Glasses In Deionized Water And In Simulated Body Fluid, Parker T. Freudenberger, Rebekah L. Blatt, Richard K. Brow Jun 2023

Dissolution Rates Of Borophosphate Glasses In Deionized Water And In Simulated Body Fluid, Parker T. Freudenberger, Rebekah L. Blatt, Richard K. Brow

Materials Science and Engineering Faculty Research & Creative Works

Particles of Borophosphate Glasses with the Nominal Molar Compositions 16Na2O-(24-Y)CaO-YSrO-XB2O3-(60-X)P2O5 (Mol%), Where 0 ≤ X ≤ 60 and Y = 0, 12, and 24, Were Reacted in Deionized Water and in Simulated Body Fluid (SBF) at 37 °C. for the Dissolution Experiments in Water, the PH of the Solution at the Conclusion of the Experiments Increased Systematically, from 2.1 to 9.5, for Y = 0 Glasses When 'x' Increased from 0 to 60. the Reaction Rates over the First 8–24 H of Dissolution in Both SBF and Deionized Water Followed Linear …


Erratum To “Structure Of Tin Phosphate Glasses By Neutron And X-Ray Diffraction” [Journal Of Non Crystalline Solids:X 2c (2019) 100017] (Journal Of Non-Crystalline Solids: X (2019) 2, (S2590159119300305), (10.1016/J.Nocx.2019.100017)), U. Hoppe, Richard K. Brow, A. C. Hannon, M. V. Zimmermann Jun 2023

Erratum To “Structure Of Tin Phosphate Glasses By Neutron And X-Ray Diffraction” [Journal Of Non Crystalline Solids:X 2c (2019) 100017] (Journal Of Non-Crystalline Solids: X (2019) 2, (S2590159119300305), (10.1016/J.Nocx.2019.100017)), U. Hoppe, Richard K. Brow, A. C. Hannon, M. V. Zimmermann

Materials Science and Engineering Faculty Research & Creative Works

The publisher regrets the following conflict of interest text was not published. • All the authors listed in this article have made Substantial contributions to the conception or design of the work; or the acquisition, analysis, or interpretation of data for the work; AND drafting the work or revising it critically for important intellectual content; AND Final approval of the version to be published. • I also undertake that the article represents valid work. Neither this article nor any part of it has been copied or plagiarized from other works. • That the article has not been published so far …


Effect Of Cr And Ni Concentrations On Resilience Of Cast Nb-Alloyed Heat Resistant Austenitic Steels At Extreme High Temperatures, Simon N. Lekakh, Mario F. Buchely, Mei Li, Larry Godlewski May 2023

Effect Of Cr And Ni Concentrations On Resilience Of Cast Nb-Alloyed Heat Resistant Austenitic Steels At Extreme High Temperatures, Simon N. Lekakh, Mario F. Buchely, Mei Li, Larry Godlewski

Materials Science and Engineering Faculty Research & Creative Works

Austenitic Cr–Ni Alloyed Heat Resistant Steels with Nb Additions Are Used for Intensively Thermo-Mechanically Loaded Cast Components Working in Extreme High Temperature Oxidizing Environment. their Performance during Static Oxidation and Transient Thermo-Mechanical Loading Was Investigated to Recommend an Optimal Cost-Effective Cr/Ni Composition of Nb-Alloyed Austenitic Class Steels. the Static Oxidation and Transient Thermo-Mechanical Behavior of Three Austenitic Steels with Different Cr/Ni Alloying Levels Were Investigated and Compared for Variety of Working Conditions. Static Oxidation Was Performed between 900 °C and 1000 °C in Air for 400 H. the Critical Temperature Which Increases Spallation during Static Oxidation Was Determined for Each …


A Prediction Of Young's Modulus For Tin Containing Phosphate Glasses Using Quantitative Structural Information, Tatsuki Shimizu, Akira Saitoh, Uwe Hoppe, Grégory Tricot, Richard K. Brow May 2023

A Prediction Of Young's Modulus For Tin Containing Phosphate Glasses Using Quantitative Structural Information, Tatsuki Shimizu, Akira Saitoh, Uwe Hoppe, Grégory Tricot, Richard K. Brow

Materials Science and Engineering Faculty Research & Creative Works

A Rigid Unit Packing Fraction (RUPF) Model Was Used to Better Understand the Influence of Local Structural Units on the Young's Elastic Modulus (E) of Binary and Ternary Tin Phosphate Glasses. Quantitative Analyses of the Units that Constitute the Glass Structure, Obtained from X-Ray/neutron Diffraction and 31P MAS-NMR Spectroscopy, Were Used to Calculate Polyhedral Packing Fractions that, with Tabulated Bond Dissociation Energies, Were Used to Predict E based on a Modification of the Makashima-Mackenzie Relationship, Which Uses Ion Sizes to Calculate Packing Fractions. Predictions based on the RUPF Model Are Better Than Those based on Ion Sizes, and Extending the …