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Materials Science and Engineering Faculty Research & Creative Works

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Full-Text Articles in Materials Science and Engineering

Thermal And Electrical Properties Of (Cr,Mo,Ta,V,W)C High-Entropy Carbide Ceramics, Ali Sarikhani, Steven M. Smith, Suzana Filipovic, William G. Fahrenholtz, Gregory E. Hilmas Sep 2026

Thermal And Electrical Properties Of (Cr,Mo,Ta,V,W)C High-Entropy Carbide Ceramics, Ali Sarikhani, Steven M. Smith, Suzana Filipovic, William G. Fahrenholtz, Gregory E. Hilmas

Materials Science and Engineering Faculty Research & Creative Works

The synthesis and characterization along with the resulting properties of fully dense (Cr,Mo,Ta,V,W)C high entropy carbide ceramics were studied. The ceramics were synthesized from metal oxide and carbon powders by carbothermal reduction, followed by spark plasma sintering at various temperatures for densification. Increasing the densification temperature resulted in grain growth and an increase in the lattice parameter. Thermal diffusivity increased linearly with testing temperature, resulting in thermal conductivity values ranging from ∼7 W/m•K at room temperature to ∼12 W/m•K at 200 °C. Measured heat capacity values matched theoretical estimates calculated using the Neumann-Kopp rule. Room temperature electrical resistivity decreased from …

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Thermal And Mechanical Properties Of Zirconium Carbide Manufactured Via Ceramic On-Demand Extrusion, Clare Sabata, Yue Zhou, Jeremy L. Watts, Gregory E. Hilmas Jul 2026

Thermal And Mechanical Properties Of Zirconium Carbide Manufactured Via Ceramic On-Demand Extrusion, Clare Sabata, Yue Zhou, Jeremy L. Watts, Gregory E. Hilmas

Materials Science and Engineering Faculty Research & Creative Works

Zirconium carbide (ZrC) was fabricated by material extrusion additive manufacturing (AM) followed by pressureless sintering at 2000°C for two hours, achieving a relative density of 90.3 %. SEM analysis revealed grains of 4.6 ± 1.8 μm; XRD confirmed single phase ZrC. A stoichiometry of ZrC0.92 was determined by XPS. Four-point flexure testing exhibited a strength of 331.3 ± 57.1 MPa and Young's modulus of 232.8 ± 13.1 GPa. Vickers hardness was 13.6 ± 1.0 GPa and 11.6 ± 0.5 GPa at 4.91 and 9.81 N, respectively. Indentation fracture resistance was 2.9 ± 0.2 MPa⋅m1/2; Griffith analysis confirmed …

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Magnetic Field-Induced Transformation In Polycrystalline Ni2mnal Heusler Type Magnetic Shape Memory Alloy, Choji J. Daches, Joseph W. Newkirk, Mario Buchely, Laura N. Bartlett Jul 2026

Magnetic Field-Induced Transformation In Polycrystalline Ni2mnal Heusler Type Magnetic Shape Memory Alloy, Choji J. Daches, Joseph W. Newkirk, Mario Buchely, Laura N. Bartlett

Materials Science and Engineering Faculty Research & Creative Works

The martensitic and magnetic transformations, as well as the mechanical properties, of Ni₂MnAl alloys in as-cast (AC) and heat-treated (HT) conditions were investigated. Magnetic-field-induced strain was evaluated via magnetostriction, with reversible strains of 0.14% and 0.2% achieved in the martensitic phase at 2 K for the AC and HT alloys, respectively. Transformation temperatures and Curie temperatures were determined under constant applied magnetic field, revealing that γ-phase inclusions in the AC microstructure suppress antiferromagnetic domain response, yielding a lower magnetization (∼8.4 emu g⁻¹) compared to the HT alloy (∼13.4 emu g⁻¹). Both alloys exhibited hysteretic behavior in the martensitic state and …

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Unveiling Corrosion Behavior And Passive Film Performance Of L12-Strengthened Ni28cr15cu8ti8fe26-Xco15+X Multi-Principal Element Alloys, Liran Huang, Zhiqiang Fu, Chenliang Chu, Shiyu Liu, Xiaohui Qin, Yunzhu Shi, Yongxiang Tan, Haiming Wen Jul 2026

Unveiling Corrosion Behavior And Passive Film Performance Of L12-Strengthened Ni28cr15cu8ti8fe26-Xco15+X Multi-Principal Element Alloys, Liran Huang, Zhiqiang Fu, Chenliang Chu, Shiyu Liu, Xiaohui Qin, Yunzhu Shi, Yongxiang Tan, Haiming Wen

Materials Science and Engineering Faculty Research & Creative Works

L12 precipitates are usually induced into face-centered cubic (FCC) multiple-principal element alloys (MPEAs) to improve their moderate yield strength; however, the precipitation also influences the corrosion resistance. This study investigated the corrosion behavior and passive film performance of a series of L12-strengthened Ni28Cr15Cu8Ti8Fe26-xCo15+x (x = 0, 3, 6, and 9 at.%) MPEAs in 3.5 wt.% NaCl solution. The size and density of the L12 nanoprecipitates were regulated via tuning Fe and Co content. With decreasing Fe/Co ratio, the radii of these nanoprecipitates gradually increased within the …

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Nb–Zr Interdiffusion In The (Hf,Ta,Ti,Nb)B2–(Hf,Ta,Ti,Zr)B2 High-Entropy Boride System, Ana C. Feltrin, Yue Zhou, Stefano Curtarolo, Gregory E. Hilmas, William G. Fahrenholtz Jul 2026

Nb–Zr Interdiffusion In The (Hf,Ta,Ti,Nb)B2–(Hf,Ta,Ti,Zr)B2 High-Entropy Boride System, Ana C. Feltrin, Yue Zhou, Stefano Curtarolo, Gregory E. Hilmas, William G. Fahrenholtz

Materials Science and Engineering Faculty Research & Creative Works

Niobium (Nb) presents a challenge for achieving homogeneous solid solutions in high-entropy boride and carbide ceramics. In this work, we synthesized (Hf,Ta,Ti,Zr)B2 (Zr-HEB) and (Hf,Ta,Ti,Nb)B2 (Nb-HEB) ceramics by boro/carbothermal reduction, followed by densification via spark plasma sintering (SPS). Diffusion couples were prepared to investigate the interdiffusion behavior of Nb and zirconium (Zr) in these complex systems at temperatures between 2000°C and 2200°C. Aside from Nb and Zr, the other elements exhibited no significant concentration gradient across the diffusion interface. Nb exhibited lower diffusion coefficients ((Formula presented.) Nb = 1.7 x 10−17–1.2 x 10−16 m2 …

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Coupled Multiphysics Transport-Reaction Modeling Framework For Combustion Synthesis Of Cement Phases: Insights Into Β-C2s Formation And Wavefront Dynamics, Sayee Srikarah Volaity, Shubham Agrawal, Aditya Kumar, Narayanan Neithalath Jun 2026

Coupled Multiphysics Transport-Reaction Modeling Framework For Combustion Synthesis Of Cement Phases: Insights Into Β-C2s Formation And Wavefront Dynamics, Sayee Srikarah Volaity, Shubham Agrawal, Aditya Kumar, Narayanan Neithalath

Materials Science and Engineering Faculty Research & Creative Works

Biofuel-based combustion synthesis (BCS) processes offer low-temperature, low-carbon routes to lime and clinker production. However, they involve tightly coupled interactions between heat transfer, gas flow, and sequential solid-state reactions within reactive pellets. Experiments typically provide surface temperature evolution and final phase assemblages but give limited insight into the conversion process and the interaction between composition and process conditions. A coupled transport-reaction framework is developed here to resolve this limitation─the synthesis of β-C2S (belite), a major cementing phase, serving as an example. Transient conservation equations for energy, momentum, and species are solved for a porous pellet exchanging heat and mass with …

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A Hybrid Mechano-Thermal Route To Synthesize Reactive Pozzolans From Clay Minerals: A Case Of Kaolinite, Oluwadamilare Charles Adesina, Bryan K. Aylas-Paredes, Brian R. Cherry, Luciano A. Gobbo, Aditya Kumar, Narayanan Neithalath Jun 2026

A Hybrid Mechano-Thermal Route To Synthesize Reactive Pozzolans From Clay Minerals: A Case Of Kaolinite, Oluwadamilare Charles Adesina, Bryan K. Aylas-Paredes, Brian R. Cherry, Luciano A. Gobbo, Aditya Kumar, Narayanan Neithalath

Materials Science and Engineering Faculty Research & Creative Works

Aluminosilicate resources from unconventional sources offer promising potential for developing low-carbon supplementary cementitious materials (SCMs), yet their activation typically requires energy-intensive thermal processing. Kaolinite is a geographically abundant and highly attractive precursor clay mineral to reduce the clinker factor in concrete. By integrating mechano- and thermo- chemistry sequentially in a novel hybrid mechano-thermal activation (MTA) strategy for clay mineral activation, the dehydroxylation of pure kaolinite polymorphs KGa-1b and KGa-2 for enhanced pozzolanic reactivity is unlocked at temperatures that are lower than those needed for conventional thermal activation (TA). The mechano-chemical activation (MCA) step that induces significant structural defects and disorder …

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Eliminating Barriers For The Implementation Of Automation In The Mining Industry, Sefiu O. Adewuyi, Kray Luxbacher, Kanagy David, Miller Ben, Miller Hugh, Michael Moats, Savit Mark Jun 2026

Eliminating Barriers For The Implementation Of Automation In The Mining Industry, Sefiu O. Adewuyi, Kray Luxbacher, Kanagy David, Miller Ben, Miller Hugh, Michael Moats, Savit Mark

Materials Science and Engineering Faculty Research & Creative Works

The integration of new technologies into U.S. mining operations is necessary for achieving continuous improvement in worker health and safety, as well as improving operational efficiency, but many have questioned why uptake of autonomy in the U.S. mining industry has been slow compared to other nations. Despite extensive research on mining automation, there remains a critical gap in understanding and systematically identifying the barriers to its adoption within the U.S. mining industry and globally. To quantify these barriers, a workshop model of data collection was employed. A total of 708 invitations were extended to professionals to participate in nine different …

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Atom Probe Tomography Investigation Of Gas And Solid Fission Product Superlattice In Neutron Irradiated U-10 Wt.% Mo Fuel, Maalavan Arivu, Andrew Hoffman, Anish Ranjan, Assel Aitkaliyeva, Yaqiao Wu, Brandon Miller, Mukesh Bachhav, Dennis Keiser, Jian Gan, Haiming Wen May 2026

Atom Probe Tomography Investigation Of Gas And Solid Fission Product Superlattice In Neutron Irradiated U-10 Wt.% Mo Fuel, Maalavan Arivu, Andrew Hoffman, Anish Ranjan, Assel Aitkaliyeva, Yaqiao Wu, Brandon Miller, Mukesh Bachhav, Dennis Keiser, Jian Gan, Haiming Wen

Materials Science and Engineering Faculty Research & Creative Works

Body-centered cubic structured γ U-Mo fuels have been developed for high performance research reactors. The formation of Xe gas bubble superlattice (GBS) in irradiated U-Mo fuels reduces the volumetric swelling of the fuels. In this study, atom probe tomography (APT) was used to measure the characteristics of the Xe GBS, including chemical composition, number density, and volume fraction of the gas bubbles, as well as the characteristics of the solid fission products, in neutron irradiated U-10 wt.% Mo fuel. It was found that in the bubbles (∼2 nm in diameter) that form the GBS are enriched with Xe with depletion …

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In-Operando Imaging For Mechanistic Insights And Process Optimization In The Biofuel-Driven Combustion Synthesis Of Cement And Precursor Phases, Shubham Agrawal, Jeffrey J. Long, Aditya Kumar, Narayanan Neithalath May 2026

In-Operando Imaging For Mechanistic Insights And Process Optimization In The Biofuel-Driven Combustion Synthesis Of Cement And Precursor Phases, Shubham Agrawal, Jeffrey J. Long, Aditya Kumar, Narayanan Neithalath

Materials Science and Engineering Faculty Research & Creative Works

Biofuel-based combustion synthesis (BCS) is a promising low-carbon pathway for decarbonizing cement production, providing an alternative to the fossil-fuel-driven clinkering process typically conducted at ∼1450 °C. Understanding microscale combustion mechanisms is essential to efficiently transfer biofuel-generated heat to cement precursors for targeted phase formation. Unlike previous studies focusing on macro-scale parameters such as fuel content/type, porosity, and holding temperature, this work provides mechanistic insights into microscale combustion behavior, linking microstructural phenomena with macro-scale processing conditions to guide parameter optimization. In-operando microscale imaging was employed to examine combustion wave propagation, spatio-temporal temperature evolution, and microstructural transformations within reactive pellets. Two combustion …

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Evaluation Of Iron-Phosphate Glass–Ceramic Waste Form For Electrorefiner Salt Waste Simulant Dechlorinated With Phosphoric Acid, Harmony Werth, Paige Murray, Lucas Greiner, Jade Beland, Charmayne Lonergan, Brian Riley, Krista Carlson May 2026

Evaluation Of Iron-Phosphate Glass–Ceramic Waste Form For Electrorefiner Salt Waste Simulant Dechlorinated With Phosphoric Acid, Harmony Werth, Paige Murray, Lucas Greiner, Jade Beland, Charmayne Lonergan, Brian Riley, Krista Carlson

Materials Science and Engineering Faculty Research & Creative Works

The importance of glass and glass–ceramic nuclear waste forms has been reaffirmed in recent years by the growing interest in nuclear power as a reliable energy source. Determination of processing methods for the disposal of halide-containing wastes will be essential for the advancement of nuclear technologies such as non-aqueous fuel reprocessing. Phosphate-based dechlorination and subsequent vitrification of radioactive salt waste into an iron-phosphate waste form have been identified as a potential processing scheme for electrochemical processing waste. The impact of H3PO4-based dechlorination of complex salt mixtures on the vitrification process and structure of the final iron-phosphate …

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Effect Of Composition On Grain-Boundary Chemistry And Fracture Behavior In High-Entropy Carbides, Caleb Schenck, Marium Mostafiz Mou, Elizabeth Pritchett, Fu Yun Tsai, Josephine Hartmann, Michael Lastovich, Sam Daigle, Kayla Yano, Matthew J. Olszta, Sanjit Bhowick, Elizabeth Kautz, Gregory E. Hilmas, William G. Fahrenholtz, Donald W. Brenner May 2026

Effect Of Composition On Grain-Boundary Chemistry And Fracture Behavior In High-Entropy Carbides, Caleb Schenck, Marium Mostafiz Mou, Elizabeth Pritchett, Fu Yun Tsai, Josephine Hartmann, Michael Lastovich, Sam Daigle, Kayla Yano, Matthew J. Olszta, Sanjit Bhowick, Elizabeth Kautz, Gregory E. Hilmas, William G. Fahrenholtz, Donald W. Brenner

Materials Science and Engineering Faculty Research & Creative Works

High-entropy carbides (HECs) are often treated as a single material class defined by configurational entropy; however, their properties are governed by composition-specific defects and grain-boundary chemistry. This study demonstrates that substituting a single element can qualitatively change grain-boundary structure and fracture behavior in HEC ceramics. Two HECs, (Cr,Hf,Ta,Ti,Zr)C (HEC-Cr) and (Hf,Ta,Ti,W,Zr)C (HEC-W), were examined via electron microscopy, atom probe tomography, and molecular dynamics simulations. Simulations predict preferential segregation of Cr, W, and Zr to grain boundaries. Experiments confirmed Cr enrichment at grain boundaries and the formation of W-rich nanograins along boundary networks. Mechanical testing revealed that these compositional differences translated …

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Strong And Ductile Additively Manufactured Ti-6al-4v Through Yttrium Inoculation, Saeid Alipour, Ji Young Kim, Min Seok Kim, Arezoo Emdadi, Ju Li May 2026

Strong And Ductile Additively Manufactured Ti-6al-4v Through Yttrium Inoculation, Saeid Alipour, Ji Young Kim, Min Seok Kim, Arezoo Emdadi, Ju Li

Materials Science and Engineering Faculty Research & Creative Works

The unique microstructural features and thermal cycles in alloys produced by additive manufacturing (AM) techniques have led to the emergence of a new paradigm in the design and development of alloys for performance-critical applications. Despite the inherent microstructural features of AMed parts, optimizing the porosity-microstructure while acquiring desired mechanical performance has been crucial yet challenging. Hence, in many legacy alloys, achieving a strength-ductility synergy in the as-built condition without applying post-heat treatment or hybrid processes is considered an arduous task. In this research, we aimed to tailor the microstructure of the legacy Ti-6Al-4V alloy in the as-built condition by implementing …

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Evaluating The Integration Of Bio-Based Waste Into Cement Production: A Pathway To Sustainable Building, Anja Terzić, Suzana Filipović, Adriana Peleš Tadić, Jelena Živojinović, Ivana N. Jelić, Nina Obradović, William G. Fahrenholtz May 2026

Evaluating The Integration Of Bio-Based Waste Into Cement Production: A Pathway To Sustainable Building, Anja Terzić, Suzana Filipović, Adriana Peleš Tadić, Jelena Živojinović, Ivana N. Jelić, Nina Obradović, William G. Fahrenholtz

Materials Science and Engineering Faculty Research & Creative Works

Rapid urbanization has increased the demand for building materials, depleting natural resources used in cement production and prompting the use of alternative and waste materials. This research verifies that eggshell powder waste can fully replace limestone in clinker synthesis. Five clinkers were produced using eggshell powder, aluminum sources (bentonite, zeolite, fly ash, and kaolinitic–illitic clay), Fe-slag, and quartz sand, with mechanical preprocessing (10–30 min) before sintering at 1300 °C. Experimental tests assessed the effects of mix design and mechanical activation on clinkerization, phase formation, temperature, and mechanical properties. XRD, FTIR, and SEM/EDS confirmed consistent phase compositions and primary cement minerals. …

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Enameling Coating Of Pipes: Thermal Proprieties And Corrosion Tests, Signo Reis, Genda Chen, Mike Koenigstein, Liang Fan May 2026

Enameling Coating Of Pipes: Thermal Proprieties And Corrosion Tests, Signo Reis, Genda Chen, Mike Koenigstein, Liang Fan

Materials Science and Engineering Faculty Research & Creative Works

Enamel coating on pipelines can be done in several ways such as the wet process, plasma spray, and electrostatic process. Wet process requires little capital expenses and provides an acceptable finish for industrial applications particularly when the part to be coated is small. Electrostatic process of enamel powder is most promising to coating large pipelines in field conditions. The enamel coating applied by the electrostatic process is very consistent and smooth since each particle is glass only. However, the powder is very fragile until fired and the charge retention is lowered in high humidity conditions. Coupons cut from a full-size …

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Quantitative Phase-Field Modeling Of Nonequilibrium Microstructural Evolution In Rapid Solidification For Additive Manufacturing, Leiji Li, Fei Xiao, Ying Zhou, Xiaorong Cai, Chongfeng Zhang, Jinzhong Gao, Xiaopeng Shen, Tianchi Zhu, Sihan Wang, Yijia Gu, Xuejun Jin Apr 2026

Quantitative Phase-Field Modeling Of Nonequilibrium Microstructural Evolution In Rapid Solidification For Additive Manufacturing, Leiji Li, Fei Xiao, Ying Zhou, Xiaorong Cai, Chongfeng Zhang, Jinzhong Gao, Xiaopeng Shen, Tianchi Zhu, Sihan Wang, Yijia Gu, Xuejun Jin

Materials Science and Engineering Faculty Research & Creative Works

Fusion-based metal additive manufacturing (AM) relies on layer-by-layer deposition and rapid solidification, where the material transitions swiftly from liquid to solid. A key phenomenon during this process is solute trapping, a nonequilibrium effect governed by a velocity-dependent partition coefficient, which critically influences microstructure kinetics, morphology, and phase formation. In this study, we employ a recently proposed quantitative phase field (PF) model to systematically explore solute trapping, solute drag, and their impacts on pattern formation during rapid solidification at AM-relevant velocities, in both one and two dimensions. Our simulations reveal a growth mode transition from planar to cellular to dendritic, and …

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A Dataset Of Precipitate-Containing Multi-Principal Element Alloys, Anshu Raj, Xin Wang, Matthew Luebbe, Haiming Wen, Kun Lu, Shuozhi Xu Apr 2026

A Dataset Of Precipitate-Containing Multi-Principal Element Alloys, Anshu Raj, Xin Wang, Matthew Luebbe, Haiming Wen, Kun Lu, Shuozhi Xu

Materials Science and Engineering Faculty Research & Creative Works

We report a curated dataset that brings together composition, processing conditions, microstructural details, and mechanical properties for 396 combinations of alloy composition and processing condition drawn from 100 peer-reviewed research articles on precipitate-containing multi-principal element alloys (MPEAs). The dataset was created by first utilizing a generative large language model for information extraction, followed by expert review to ensure accurate recovery of materials data. Compositional information was taken directly from tables and text, while processing routes — including homogenization, rolling, recrystallization, and aging — were converted into uniform temperature and time metrics. Microstructural descriptors, including precipitate phases and sizes, were consolidated …

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Voltage Breakdown Strength And Energy Density Of Ceramic Srtio₃ At Cryogenic Temperatures From 295 K To 77 K, Hung Trinh, Alan Devoe, Fatih Dogan Mar 2026

Voltage Breakdown Strength And Energy Density Of Ceramic Srtio₃ At Cryogenic Temperatures From 295 K To 77 K, Hung Trinh, Alan Devoe, Fatih Dogan

Materials Science and Engineering Faculty Research & Creative Works

The low-temperature dependence of the DC dielectric breakdown strength (EBD) and the energy storage density (W) of capacitors, fabricated from high purity polycrystalline strontium titanate, were investigated in the temperature range from 295 K to 77 K. Test samples were constructed with a process similar to that used for multilayer ceramic capacitors (MLCCs). The permittivity, loss tangent, leakage current, and breakdown strength were measured as a function of temperature and voltage. Weibull statistical analysis was used to quantify breakdown distributions. Despite electric-field suppression of permittivity, breakdown strength increased significantly with decreasing temperatures, leading to enhanced energy density. The breakdown field …

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Wasting The Risk, Or Risking The Waste? Understanding The Trends Of Critical Raw Material Loss Into Waste Streams During Copper And Aluminium Processing, Ella Lausberg, Joël Brugger, Rahul Ram, John R. Owen, Deanna Kemp, Micheal S. Moats, Jonathan Hamisi, Vanessa N.L. Wong Mar 2026

Wasting The Risk, Or Risking The Waste? Understanding The Trends Of Critical Raw Material Loss Into Waste Streams During Copper And Aluminium Processing, Ella Lausberg, Joël Brugger, Rahul Ram, John R. Owen, Deanna Kemp, Micheal S. Moats, Jonathan Hamisi, Vanessa N.L. Wong

Materials Science and Engineering Faculty Research & Creative Works

Many critical raw materials (CRM) necessary in the transition to carbon-neutral energy reside in the waste streams of mining projects, as they are by-products and often not recovered alongside the primary metal. This work aims to document (i) the loss and potential recovery of by-product metals during the host commodity processing and (ii) the consequences of non-recovery, via a multi-scale risk–reward analysis. The information on the deportment of by-product metals through processing circuits is crucial for treating them as a resource, without which they risk near-permanent loss when treated as 'waste'. We review the deportment of tellurium and selenium as …

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Microstructural Evolution Of Zirconium Diboride Irradiated With 5–10 Mev Au Ions At Room Temperature And 570 °C, Narrie Loftus, José Olivares, Miguel Crespillo, Esther Enríquez Pérez, Jeremy Watts, Eric W. Bohannan, Gregory Hilmas, William Fahrenholtz, Joseph Graham Mar 2026

Microstructural Evolution Of Zirconium Diboride Irradiated With 5–10 Mev Au Ions At Room Temperature And 570 °C, Narrie Loftus, José Olivares, Miguel Crespillo, Esther Enríquez Pérez, Jeremy Watts, Eric W. Bohannan, Gregory Hilmas, William Fahrenholtz, Joseph Graham

Materials Science and Engineering Faculty Research & Creative Works

Zirconium diboride was irradiated with 5 MeV Au2 + , 7 MeV Au4+ and 10 MeV Au3+ ions at room temperature and 570 °C to doses from 1 to 8 displacements per atom (dpa). Grazing incidence X-ray diffraction (GIXRD) analysis revealed no secondary phase formation. Rietveld analysis of the GIXRD data indicated an accumulation of microstrain at low dpa and room temperature. Dislocations observed in transmission electron microscopy (TEM) cross-sections are likely the main contributor to the microstrain. High dpa and high-temperature samples exhibit lower lattice distortion than lower dpa samples, suggesting the presence of enhanced defect …

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Thermally Stable Sic Particulate-Reinforced Sic Composites Up To 2000 ℃ Fabricated By Precursor Impregnation And Pyrolysis Method, Jian Gu, Vu Viet Hung, Lun Feng, William G. Fahrenholtz, Daejong Kim, Seyoung Kim, Sea Hoon Lee Mar 2026

Thermally Stable Sic Particulate-Reinforced Sic Composites Up To 2000 ℃ Fabricated By Precursor Impregnation And Pyrolysis Method, Jian Gu, Vu Viet Hung, Lun Feng, William G. Fahrenholtz, Daejong Kim, Seyoung Kim, Sea Hoon Lee

Materials Science and Engineering Faculty Research & Creative Works

The thermo-mechanical properties of SiC particulate-reinforced SiC composites (SiC-PRCs), fabricated using precursor impregnation & pyrolysis (PIP) process, were analyzed up to 2000 ℃. The relative density of the SiC-PRCs after 4 PIP cycles was 88.6 %. The number of PIP cycles required decreased to nearly half compared with the conventional PIP method by using ultra-high concentration slurries up to 70 vol%. In addition, room-temperature bending strength (215 MPa) and Young's modulus (269 GPa) improved as the solid loading of the slurry increased. The bending strength increased to 232 MPa at 2000 ℃ in Ar. Despite the thermal deterioration of the …

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A Software Package For Generating Robust And Accurate Potentials Using The Moment Tensor Potential Framework, Josiah Roberts, Biswas Rijal, Simon Divilov, Jon Paul Maria, William G. Fahrenholtz, Douglas E. Wolfe, Donald W. Brenner, Stefano Curtarolo, Eva Zurek Mar 2026

A Software Package For Generating Robust And Accurate Potentials Using The Moment Tensor Potential Framework, 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

We present the Plan for Robust and Accurate Potentials (PRAPs), a software package for training and using moment tensor potentials (MTPs) in concert with the Machine Learned Interatomic Potentials (MLIP) software package. PRAPs provides an automated workflow to train MTPs using active learning procedures, and a variety of utilities to ease and improve workflows when utilizing the MLIP software. PRAPs was originally developed in the context of crystal structure prediction, in which one calculates convex hulls and predicts low energy metastable and thermodynamically stable structures, but the potentials PRAPs develops are not limited to such applications. PRAPs produces two potentials, …

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Superhard Refractory High-Entropy Diborides, M. D. Hossain, N. S. Mcilwaine, N. O. Marquez-Rios, A. C. Feltrin, V. Chawla, R. A. Mayanovic, W. G. Fahrenholtz, D. Penumadu, E. Zurek, D. W. Brenner, D. E. Wolfe, S. Divilov, H. Eckert, S. Curtarolo Mar 2026

Superhard Refractory High-Entropy Diborides, M. D. Hossain, N. S. Mcilwaine, N. O. Marquez-Rios, A. C. Feltrin, V. Chawla, R. A. Mayanovic, W. G. Fahrenholtz, D. Penumadu, E. Zurek, D. W. Brenner, D. E. Wolfe, S. Divilov, H. Eckert, S. Curtarolo

Materials Science and Engineering Faculty Research & Creative Works

Using first-principles calculations and companion experimental validations, we demonstrate that the valence electron concentration (VEC) can be used to self-consistently parameterize the bonding characteristics of high-entropy diborides (HEBs) and in turn predict their mechanical properties. When VEC is 10.0 per formula unit (f.u.), HEBs enter the superhard category where Hv>40GPa because bonding states are optimally filled to resist shear deformation. Conversely, above or below a VEC of 10.0, the hardness decreases due to the filling of antibonding or the emptying of bonding states of the HEBs, respectively. This result is supported by analyses of the electronic structure, bonding, antibonding, …

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A Borophosphate Glass Doped With Cobalt Oxide Improves Skeletal Muscle Structure And Function In Myopathic Mice, Jacob A. Kendra, Alexandra G. Naman, Rebekah L. Blatt, Carla D. Zingariello, Richard K. Brow, Steven S. Segal, Aaron B. Morton Mar 2026

A Borophosphate Glass Doped With Cobalt Oxide Improves Skeletal Muscle Structure And Function In Myopathic Mice, Jacob A. Kendra, Alexandra G. Naman, Rebekah L. Blatt, Carla D. Zingariello, Richard K. Brow, Steven S. Segal, Aaron B. Morton

Materials Science and Engineering Faculty Research & Creative Works

Skeletal muscle myopathy remains a significant cause of disability with limited treatment strategies. Advancements in tissue engineering have led to the development of borophosphate bioactive glasses (BPBGs) capable of enhancing skeletal muscle structure and function. Using a mouse model of severe myopathy (D2.mdx), we investigated muscle force, regeneration, angiogenesis and inflammation at 14, 70 and 140 days post-treatment (dpt). Tibialis anterior (TA) muscles of D2.mdx mice that received a single injection of cobalt oxide-doped BPBG (CoO-TRIM) particles exhibit greater active force, myofiber size, and regeneration through 70 dpt compared to control D2.mdx mice injected with Saline. Vascular endothelial growth factor …

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Hardness Of (Hf,Ti,W,Zr)B2/(Hf,Ti,W,Zr)C-Based Ceramics With Varying Wb Content, Suzana Filipović, William G. Fahrenholtz, Gregory E. Hilmas, Nina Obradović, Stefano Curtarolo Feb 2026

Hardness Of (Hf,Ti,W,Zr)B2/(Hf,Ti,W,Zr)C-Based Ceramics With Varying Wb Content, Suzana Filipović, William G. Fahrenholtz, Gregory E. Hilmas, Nina Obradović, Stefano Curtarolo

Materials Science and Engineering Faculty Research & Creative Works

Compositionally complex (Hf,Ti,Zr,W)B2/(Hf,Ti,Zr,W)C-based ceramics were produced with different boride and carbide phase contents by varying the C/B4C molar ratio used in boro/carbothermal reduction. A monoboride phase based on WB was detected in all compositions. As the C/B4C ratio was varied, the WB content decreased from 23.7 vol% for a C/B4C ratio of 6.0–15.3 vol% for a C/B4C ratio of 10.3. Further increases in the C/B4C ratio increased the WB content. The monoboride phase contained mainly W and Ti in a solid solution with the nominal composition of (W …

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Integrated Computational And Experimental Investigation Of Groups V And Vi Metals In (M,Hf,Ti,Zr)B2-(M,Hf,Ti,Zr)C Ceramics, Ana C. Feltrin, Simon Divilov, Gregory E. Hilmas, Stefano Curtarolo, William G. Fahrenholtz Feb 2026

Integrated Computational And Experimental Investigation Of Groups V And Vi Metals In (M,Hf,Ti,Zr)B2-(M,Hf,Ti,Zr)C Ceramics, Ana C. Feltrin, Simon Divilov, Gregory E. Hilmas, Stefano Curtarolo, William G. Fahrenholtz

Materials Science and Engineering Faculty Research & Creative Works

Dual-phase compositionally complex ultra-high temperature ceramics were formulated by incorporating different Groups V and VI metals such as V, Nb, Ta, Cr, Mo, or W into a base composition containing the Group IV elements, Hf, Ti, and Zr. Metal distribution was predicted using first-principles-based thermodynamics simulations and compared with experimental results. Moreover, phase stability, microstructure, and mechanical properties were evaluated for all of the ceramics. Compositions containing Cr, V, Nb, or Ta formed dual-phase ceramics containing only one boride and one carbide phase, while compositions containing Mo or W developed an additional third phase. The experimental metal distribution trends generally …

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Zirconium And Hafnium Interdiffusion Study In Zrb2–Hfb2 System, Yue Zhou, Ana C. Feltrin, William G. Fahrenholtz, Gregory E. Hilmas Feb 2026

Zirconium And Hafnium Interdiffusion Study In Zrb2–Hfb2 System, Yue Zhou, Ana C. Feltrin, William G. Fahrenholtz, Gregory E. Hilmas

Materials Science and Engineering Faculty Research & Creative Works

Interdiffusion of Zr and Hf in the diboride system was investigated. High-purity zirconium diboride (ZrB2) and hafnium diboride (HfB2) were prepared by a combination of boro-/carbothermal reduction synthesis and densification by spark plasma sintering. The bulk ceramics had relative densities of 99.3% for ZrB2 and 99.7% for HfB2, and both ceramics were phase-pure by x-ray diffraction analysis. Diffusion couples of ZrB2 and HfB2 were annealed at temperatures ranging from 2000°C to 2200°C for times from 4 to 12 h. Zr and Hf elemental concentration profiles were measured using energy dispersive spectroscopy …

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Co-Calcination Of Limestone And Clay Enhances The Performance Of Limestone Calcined Clay Cement (Lc3), Oluwadamilare Charles Adesina, Sahil Surehali, Avinaya Tripathi, Kayla Lauren Lee, Bryan K. Aylas-Paredes, Aditya Kumar, Narayanan Neithalath Feb 2026

Co-Calcination Of Limestone And Clay Enhances The Performance Of Limestone Calcined Clay Cement (Lc3), Oluwadamilare Charles Adesina, Sahil Surehali, Avinaya Tripathi, Kayla Lauren Lee, Bryan K. Aylas-Paredes, Aditya Kumar, Narayanan Neithalath

Materials Science and Engineering Faculty Research & Creative Works

Limestone-calcined clay cements (LC3) reduce the environmental impact of cement production and accelerate the industry transition toward carbon neutrality. While conventional LC3 with 50% clinker replacement (LC3-50) demonstrate long-term performance comparable to ordinary Portland cement (OPC) in concrete, early-age performance is generally compromised. This study explores for the first time, joint thermal treatment—that is, co-calcination—of limestone (LS) and bulk kaolinitic clay in mass ratios of 1:1 to 1:4 under a calcination regime specifically designed to ensure activation of the clay mineral. The co-calcination converts a small fraction of LS to metastable CaO, thus providing an …

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Inclusion Engineering Through Deoxidation Practice Optimization For Enhanced Mechanical Properties Of Cast Cr-Ni-Mo Steel, Kingsley T. Amatanweze, Viraj A. Athavale, Simon Lekakh, Ronald J. O'Malley, Laura N. Bartlett Feb 2026

Inclusion Engineering Through Deoxidation Practice Optimization For Enhanced Mechanical Properties Of Cast Cr-Ni-Mo Steel, Kingsley T. Amatanweze, Viraj A. Athavale, Simon Lekakh, Ronald J. O'Malley, Laura N. Bartlett

Materials Science and Engineering Faculty Research & Creative Works

Deoxidation is an integral part of steelmaking, as it determines steel castability, cleanliness, and porosity levels of the final product. Steel quality is critical to its performance and can be sabotaged by impurities such as non-metallic inclusions and porosity. This study investigates the effects of four distinct deoxidation practices, using Al, Al-Ca, Zr-Ca, and Mn-Si respectively, on tensile strength, tensile ductility and impact toughness of a Cr-Ni-Mo steel. These deoxidation reactions were modeled on a commercially available thermodynamic software and possible inclusion product phases were predicted. The casting samples were studied on a scanning electron microscope (SEM) utilizing energy dispersive …

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Post-Calcium Treatment Evolution Of Alumina (Al2o3) Inclusions Morphology, Naziru I. Fuseini, Ronald J. O'Malley, Todd P. Sander, Jeffrey D. Smith, Haiming Wen, Laura N. Bartlett Feb 2026

Post-Calcium Treatment Evolution Of Alumina (Al2o3) Inclusions Morphology, Naziru I. Fuseini, Ronald J. O'Malley, Todd P. Sander, Jeffrey D. Smith, Haiming Wen, Laura N. Bartlett

Materials Science and Engineering Faculty Research & Creative Works

The post-calcium morphological evolution of Al2O3 inclusions formed under high-oxygen supersaturation (~1000 ppm) was investigated through time-resolved sampling and quenching of aluminum-killed, calcium-treated steel. SEM-EDS analysis revealed the formation of angular two-phase CaO·Al2O3–CaS inclusions within 1 minute, gradually transforming into spherical liquid 12CaO·7Al2O3 and CaO·Al2O3 with a thin CaS layer around it. The 3D morphology of the CaS phase of the complex CaO·Al2O3–CaS inclusions observed at 1 minute appeared as a cone-cap attached to the partially modified CaO·Al2O3. This …

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