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Thermo-Mechanical Behaviour Of Metal-Coated Optical Fibers For Distributed High-Temperature Sensing: From Laboratory Characterization To Industrial Case Validation, Koustav Dey, Rony Kumer Saha, Bohong Zhang, Laura Bartlett, Jeffrey D. Smith, Ronald J. O'Malley, Jie Huang 2026 Missouri University of Science and Technology

Thermo-Mechanical Behaviour Of Metal-Coated Optical Fibers For Distributed High-Temperature Sensing: From Laboratory Characterization To Industrial Case Validation, Koustav Dey, Rony Kumer Saha, Bohong Zhang, Laura Bartlett, Jeffrey D. Smith, Ronald J. O'Malley, Jie Huang

Electrical and Computer Engineering Faculty Research & Creative Works

Reliable distributed temperature sensing in high-temperature environments remains a significant challenge due to the thermal and mechanical limitations of conventional optical fibers. In particular, polymer-coated fibers degrade above ∼300 °C due to coating failure, mechanical fragility and hydrogen ingress. Metal-coated optical fibers offer a robust alternative for harsh environments such as Electric Arc Furnaces (EAFs), aerospace engines, nuclear systems, and oil and gas wells, owing to their superior mechanical strength and hermetic sealing. In this work, a first comprehensive experimental investigation of the thermo-mechanical behavior of metal-coated optical fibers for distributed high temperature sensing is presented over a wide temperature …


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 2026 Missouri University of Science and Technology

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 …


Analysis Of Tower Stringset Replacement From 33 Kv To 66 Kv Considering Sagging Clearance, Muhammad Lazuardi Azzura, Anne Zulfia Syahrial, Julius Purnama Eka Kartika 2026 Department of Metallurgical and Materials Engineering, Faculty of Engineering, Universitas Indonesia, Kampus UI Depok, West Java 16424, Indonesia

Analysis Of Tower Stringset Replacement From 33 Kv To 66 Kv Considering Sagging Clearance, Muhammad Lazuardi Azzura, Anne Zulfia Syahrial, Julius Purnama Eka Kartika

Journal of Materials Exploration and Findings

Efforts to increase the capacity of transmission networks are often undertaken by uprating the operating voltage of existing lines rather than building entirely new infrastructure. Such uprating typically involves the replacement of tower insulator stringsets to withstand higher voltages, while also ensuring that mechanical performance remains adequate. This paper presents an analysis of uprating the Parakan–Sunyaragi transmission line from 33 kV to 66 kV, with particular emphasis on conductor sagging and the resulting clearance from the ground. The methodology employed includes calculations based on catenary equations, analysis of conductor tensile forces, and a comparative evaluation of two widely used insulator …


Improving The Concrete Compressive And Flexural Strength With A Low Fraction Addition Of Carboxylated Nitro-Oxidized Cellulose Nanofibrils From Banana Rachis, Ngesa Ezekiel Mushi, Emmanuel Kagya 2026 College of Engineering and Technology, University of Dar es Salaam, P.O. BOX 35131, Dar es Salaam, Tanzania

Improving The Concrete Compressive And Flexural Strength With A Low Fraction Addition Of Carboxylated Nitro-Oxidized Cellulose Nanofibrils From Banana Rachis, Ngesa Ezekiel Mushi, Emmanuel Kagya

Tanzania Journal of Science

Conventionally, concrete strength depends on the bonding interface, especially in hydrated products such as calcium silicate hydrate (CSH). As a result, concrete is sensitive to tensile load. With its unique properties, a low fraction of carboxylated nitro-oxidized cellulose nanofibrils (NOCNF) from the banana rachis is employed to improve the mechanical performance of the concrete nanostructurally. Compressive and flexural strength using the NOCNF content at 0, 0.05, and 0.1 wt.%, cured for 7 and 28 days, were evaluated. Notably, the compressive strength increased by 16 % and the flexural strength by 13 % at 0.1 wt.% NOCNF compared to plain concrete …


Spark Plasma Sintering Of Alumina With Controlled Porosity, Harshail Patet 2026 Embry-Riddle Aeronautical University

Spark Plasma Sintering Of Alumina With Controlled Porosity, Harshail Patet

Discovery Day - Daytona Beach

Alumina is one of the most widely used advanced ceramics, serving applications that range from dense structural and wear-resistant components to porous thermal insulation and filtration systems. Porosity is a defining microstructural feature that governs mechanical strength, thermal conductivity, and permeability, meaning different applications demand different porosity levels from the same material. Spark plasma sintering (SPS) enables rapid consolidation by simultaneously applying pulsed electric current and uniaxial pressure, offering precise control over density, grain size, and porosity in significantly shorter processing times than conventional sintering. While prior studies have investigated the individual effects of SPS parameters on alumina densification, a …


Thermal And Mechanical Properties Of Zirconium Carbide Manufactured Via Ceramic On-Demand Extrusion, Clare Sabata, Yue Zhou, Jeremy L. Watts, Gregory E. Hilmas 2026 Missouri University of Science and Technology

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 …


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 2026 Missouri University of Science and Technology

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 …


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 2026 Missouri University of Science and Technology

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 …


Lafe0.925ti0.075o3 Perovskite Coated With Ethyl Cellulose: A High-Stability, Low-Hysteresis Platform For Advanced Humidity Sensing, Akhmad Futukhillah Fataba Alaih, Djoko Triyono, Rifqi Almusawi Rafsanjani 2026 Department of Physics, Faculty of Mathematics and Natural Sciences, Universitas Indonesia, Depok 16424, Indonesia

Lafe0.925ti0.075o3 Perovskite Coated With Ethyl Cellulose: A High-Stability, Low-Hysteresis Platform For Advanced Humidity Sensing, Akhmad Futukhillah Fataba Alaih, Djoko Triyono, Rifqi Almusawi Rafsanjani

Makara Journal of Science

Humidity sensors are pivotal in numerous sectors, such as environmental monitoring, industrial automation, and health-care. This study presents the fabrication and detailed evaluation of an advanced humidity sensor using ethyl cellulose (EC)-coated LaFe0.925Ti0.075O3 (LFTO) perovskite nanoparticles synthesized via the sol-gel method. The LFTO nanopar-ticles exhibited a mesoporous structure with an enhanced surface area, which significantly improved their moisture adsorption capabilities. The innovative application of EC coating addresses critical substrate adhesion issues, enhancing mechanical stability without compromising sensor sensitivity. Comprehensive performance evaluations revealed minimal hysteresis (


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 2026 Missouri University of Science and Technology

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 …


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 2026 Missouri University of Science and Technology

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 …


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 2026 Missouri University of Science and Technology

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 …


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 2026 Missouri University of Science and Technology

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 …


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 2026 Missouri University of Science and Technology

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. …


Structural Analysis On Iron Phosphate Glasses After Dechlorination Of Mixed Chloride Waste Forms, Lucas Greiner 2026 Missouri University of Science and Technology

Structural Analysis On Iron Phosphate Glasses After Dechlorination Of Mixed Chloride Waste Forms, Lucas Greiner

Miners Solving for Tomorrow Research Conference

Molten salt reactors (MSRs) require durable waste forms for immobilizing halide-rich salts. This study examines iron phosphate glasses derived from a simple salt mixture (SSM), focusing on the effect of Fe₂O₃ additions (2.5–10 wt%) on structure and phase stability. Intermediates were processed at 300–600 °C and vitrified at 1050 °C. Raman spectroscopy and HPLC show that increasing iron content depolymerizes the phosphate network, shifting from Q² toward Q¹ species and reducing chain length. XRD confirms amorphous behavior for ≤7.5 wt% Fe₂O₃, while 10 wt% shows crystallization, with KFeP₂O₇ observed in samples processed at 400 °C. Despite reduced connectivity, iron enhances …


Plant-Mediated Green Synthesis Of Zinc Ferrite Nanoparticles: Mechanisms, Properties, And Advanced Applications In Environmental And Biomedical Fields, Rihab Jabbar 2026 Institute of Technology, Middle Technical University, Baghdad, Iraq.

Plant-Mediated Green Synthesis Of Zinc Ferrite Nanoparticles: Mechanisms, Properties, And Advanced Applications In Environmental And Biomedical Fields, Rihab Jabbar

Al-Bahir

Recently, plant-mediated green synthesis has emerged as a sustainable, eco-friendly, and cost-effective strategy for synthesizing zinc ferrite (ZnFe₂O₄) nanoparticles (NPs). This review critically examines the advancements in biosynthesizing ZnFe₂O₄ NPs using various plant extracts, including Aloe vera, Hibiscus rosa-sinensis, Aegle marmelos, Eucalyptus leaves, Tragacanth gum, Piper nigrum, and Moringa oleifera, among others. It emphasizes their dual role as reducing, capping, chelating, and stabilizing agents. The article extensively compares physicochemical properties of the green-synthesized NPs in terms of crystallite size, morphology, magnetic behavior, and band gap energy. Achieved through different synthesis routes such as sol-gel, hydrothermal, co-precipitation, and microwave-assisted methods. …


Voltage Breakdown Strength And Energy Density Of Ceramic Srtio₃ At Cryogenic Temperatures From 295 K To 77 K, Hung Trinh, Alan Devoe, Fatih Dogan 2026 Missouri University of Science and Technology

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 …


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 2026 Missouri University of Science and Technology

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 …


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 2026 Missouri University of Science and Technology

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 …


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 2026 Missouri University of Science and Technology

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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