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Faculty Publications

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Full-Text Articles in Engineering

Global Carbon Mitigation From Bacnet Adoption In Commercial Building Automation Systems 1995-2030, Fei Han, Weiwei Mo Dec 2025

Global Carbon Mitigation From Bacnet Adoption In Commercial Building Automation Systems 1995-2030, Fei Han, Weiwei Mo

Faculty Publications

Building Automation Systems (BAS) play a critical role in improving energy efficiency in commercial buildings, yet their long-term carbon mitigation potential has not been comprehensively quantified at a global scale. As the dominant open communication standard enabling interoperability in modern BAS, BACnet has played a central role in expanding automation adoption worldwide. This study develops a cohort-based modeling framework to estimate historical (1995–2025) and projected (2026–2030) CO₂e mitigation from BACnet-based BAS adoption across four regions: the United States, Canada, Europe, and the Rest of World (ROW). The model combines regional commercial floor area, baseline electricity and natural-gas energy intensity, BAS …

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Programmable Acoustofluidic Engineering For Creating Gradient Biomaterials, Jujing Lu, Ye He, Jianping Xia, Mingyuan Liu, Joseph Rich, Ke Jin, Ruoyu Zhong, Kaichun Yang, Jiao Qian, Ying Chen, Ke Li, Zhiteng Ma, Tony Jun Huang Dec 2025

Programmable Acoustofluidic Engineering For Creating Gradient Biomaterials, Jujing Lu, Ye He, Jianping Xia, Mingyuan Liu, Joseph Rich, Ke Jin, Ruoyu Zhong, Kaichun Yang, Jiao Qian, Ying Chen, Ke Li, Zhiteng Ma, Tony Jun Huang

Faculty Publications

Gradient biomaterials that exhibit spatially varying physical, chemical, or biological properties can be used in various applications such as tissue engineering, organoid development, mechanobiology, and spatially controlled drug delivery. However, current fabrication methods often suffer from limited gradient precision, restricted material compatibility, and poor reproducibility. Here, we introduced gradient regulation via acoustofluidic dynamic engineering (GRADE), a programmable system to generate high-fidelity gradient biomaterials across different material systems. By incorporating focused interdigital transducers with the pulsed surface acoustic wave actuation, GRADE can achieve tunable and directional acoustic streaming (0 to 22 millimeters per second), which allows accurate regulation of the gradient …

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Mechanistic Roles And Design Criteria For Catalysts In Lithium–Sulfur Batteries, Saheed Lateef, Golareh Jalilvand Dec 2025

Mechanistic Roles And Design Criteria For Catalysts In Lithium–Sulfur Batteries, Saheed Lateef, Golareh Jalilvand

Faculty Publications

Catalysis is widely explored in lithium–sulfur (Li–S) batteries to address challenges related to limited capacity and cycle durability. Despite extensive research, catalyst development has often focused on materials without a clear understanding of the mechanistic landscape underlying the complex, multi-step, multi-electron sulfur redox pathway. In fact, our understanding of the thermodynamic, kinetic, and mass transport framework in Li–S systems is still evolving, particularly with respect to the reaction pathways during charge and discharge, and the dynamic evolution of materials in both liquid and solid phases. These evolving insights may fundamentally shift the requirements for catalyst design and future research priorities. …

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Degrees Of Rate Control And Autodiff-Driven Direct Sensitivity Analysis In Heterogeneous Catalysis, Olajide H. Bamidele, Sina Behtash, Mubarak Bello, Andreas Heyden Dec 2025

Degrees Of Rate Control And Autodiff-Driven Direct Sensitivity Analysis In Heterogeneous Catalysis, Olajide H. Bamidele, Sina Behtash, Mubarak Bello, Andreas Heyden

Faculty Publications

Despite the wide application and benefits of the degree of rate control (DRC) analysis, several details remain argued, particularly about the conservation of DRCs at transient (TR) and steady-state (SS) conditions, especially for complex reaction networks. This work argues that previous proofs about the conservation properties of DRCs have been incomplete, and we provide new mathematical proofs at TR and SS conditions. In addition, we use both analytical (automatic differentiation) and numerical (finite difference) approaches to compute DRCs for the case study of ethane hydrogenolysis (EH) over Pt(111). This work confirms that at both TR and SS conditions, the sum …

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Investigation Of The Flow Field Morphology Of Film Cooling In Supersonic Flow, Umberto Sandri, Massimiliano Ferro, Alessio Picchi, Antonio Andreini, Bruno Facchini, Marc D. Polanka Dec 2025

Investigation Of The Flow Field Morphology Of Film Cooling In Supersonic Flow, Umberto Sandri, Massimiliano Ferro, Alessio Picchi, Antonio Andreini, Bruno Facchini, Marc D. Polanka

Faculty Publications

Film cooling is widely implemented in highly thermally stressed gas turbine components. Its performance has been extensively investigated for several decades and many results are available in the literature. In conventional gas turbines, regions of supersonic flow are not prevalent and should generally be avoided. For this reason, results relative to film cooling in supersonic flow are limited. Nevertheless, a new interest related to Rotating Detonation Combustors (RDC) and supersonic turbines is growing. The implementation of those engine components in a gas turbine is likely to need film cooling for thermal protection. In this context, it becomes crucial to gain …

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Fabrication And Evaluation Of Large Alumina Crucibles By Vat Photopolymerization Additive Manufacturing For High-Temperature Actinide Chemistry, R. Joey Griffiths, Christy Santoyo, Jean-Baptise Forien, Bradley Childs, Andrew J. Swift, Andrew Cho, Alexander Wilson-Heid, George Ankrah, Devin Rappleye, Aiden A. Martin, Jason Jeffries, Kiel Holliday Dec 2025

Fabrication And Evaluation Of Large Alumina Crucibles By Vat Photopolymerization Additive Manufacturing For High-Temperature Actinide Chemistry, R. Joey Griffiths, Christy Santoyo, Jean-Baptise Forien, Bradley Childs, Andrew J. Swift, Andrew Cho, Alexander Wilson-Heid, George Ankrah, Devin Rappleye, Aiden A. Martin, Jason Jeffries, Kiel Holliday

Faculty Publications

Additive manufacturing (AM) offers opportunities to advance the design and function of ceramic tooling in high temperature actinide pyrochemistry. In technical ceramics such as alumina, conventional forming techniques often restrict design flexibility and can limit experimental progress. In this study, we investigate the use of vat photopolymerization (VP) with commercial resins to fabricate large-scale alumina crucibles, reaching dimensions up to 125 mm, which is significantly larger than typically reported for dense VP ceramics. Notably, these additively manufactured components are produced using consumer-grade hardware, which limits process control, but offers significant upside in scalability and accessibility. Using microscopy and X-ray computed …

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Extreme Bandgap Al0.63Ga0.37N Quasivertical Schottky Barrier Diodes With A High Baliga Figure Of Merit Of 630 Mw Cm−2, Abdullah Al Mamun Mazumder, Shahab Mollah, Kamal Hussain, Abdullah Mamun, Seongmo Hwang, Tariq Jamil, Grigory Simin, Asif Khan Dec 2025

Extreme Bandgap Al0.63Ga0.37N Quasivertical Schottky Barrier Diodes With A High Baliga Figure Of Merit Of 630 Mw Cm−2, Abdullah Al Mamun Mazumder, Shahab Mollah, Kamal Hussain, Abdullah Mamun, Seongmo Hwang, Tariq Jamil, Grigory Simin, Asif Khan

Faculty Publications

"Extreme bandgap n-Al0.63Ga0.37N quasi-vertical Schottky barrier diodes (SBDs) with doping densities of ≈8 × 1017 cm−3 (Sample A) and ≈2 × 1017 cm−3 (Sample B) are grown on an AlN/sapphire substrate using metalorganic-chemical vapor deposition (MOCVD). Sample A achieves a high forward current density of ≈59.5 kA cm−2 at 10 V with an ION/IOFF ratio of ≈108 (calculated from the forward current at + 3.8 V and the reverse current at −1 V) and an ideality factor of 2.8. Sample B has a forward current …

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Extreme Bandgap Recessed-Gate Metal Oxide Semiconductor Heterostructure Field Effect Transistors With Drain Current 0.28 A Mm−1 And Threshold Voltage −1.5 V, Abdullah Al Mamun Mazumder, Abdullah Mamun, Kenneth Stephenson, Kamal Hussain, Tariq Jamil, Grigory Simin, Asif Khan Dec 2025

Extreme Bandgap Recessed-Gate Metal Oxide Semiconductor Heterostructure Field Effect Transistors With Drain Current 0.28 A Mm−1 And Threshold Voltage −1.5 V, Abdullah Al Mamun Mazumder, Abdullah Mamun, Kenneth Stephenson, Kamal Hussain, Tariq Jamil, Grigory Simin, Asif Khan

Faculty Publications

Herein, the first demonstration of hybrid high-k oxide (ZrO2-Al2O3) incorporation into extreme bandgap (EBG) Al0.87Ga0.13N/Al0.64Ga0.36N metal-oxide-semiconductor heterostructure field-effect transistors (MOSHFETs) is presented, with both planar and recessed-gate designs on the same AlN/sapphire template with a state-of-the-art low contact resistance of 1.4 Ω mm (contact resistivity, ρc ≈ 5.7 × 10−6 Ω cm2). The recessed-gate MOSHFETs achieve a threshold voltage shift of ΔVTH = 5.8 V, highlighting improved channel control. Static output measurements reveal a peak drain current (IDS) of 340 mA mm−1 for the planar …

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Piezoelectric Energy Harvesting From Roadways: Challenges, Advances, And Future Directions, Heba Gaber, Mohamed Abdelraheem Dec 2025

Piezoelectric Energy Harvesting From Roadways: Challenges, Advances, And Future Directions, Heba Gaber, Mohamed Abdelraheem

Faculty Publications

As the global demand for renewable energy intensifies, piezoelectric energy harvesting from roadways has emerged as a promising avenue for sustainable power generation. This systematic literature review analyzes 61 peer-reviewed studies to assess the feasibility, performance, and potential of integrating piezoelectric systems into roadway infrastructure. While technology faces challenges, such as high installation costs, limited energy output, and a scarcity of thorough economic evaluations, findings suggest it holds considerable promise as a supplementary renewable energy source. The review analyzes the operational characteristics and efficiencies of various piezoelectric transducers, identifies key factors influencing system performance, and evaluates recent technological advances. It …

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Preliminary Investigation Of Cislunar Disposal Reachability Via Electric Propulsion For Selected L2 Lagrange Point Orbit Families, Ryan M. Sargent, Robert A. Bettinger, Carl R. Hartsfield Nov 2025

Preliminary Investigation Of Cislunar Disposal Reachability Via Electric Propulsion For Selected L2 Lagrange Point Orbit Families, Ryan M. Sargent, Robert A. Bettinger, Carl R. Hartsfield

Faculty Publications

This paper investigates the disposal of end-of-life spacecraft from selected orbit families in the Earth-Moon system, specifically the L2 Lyapunov and Halo families. Rather than focusing on impulsive burns with chemical propulsion systems, this paper examines disposal using continuous thrust generated by Hall thrusters, a form of electric propulsion. Leveraging the Circular Restricted Three Body Problem (CR3BP) as the dynamical framework, various levels of ΔV are evaluated in single-maximum burn and multiple-burn concepts of operation to evaluate the potential for spacecraft minimizing their transit of cislunar space and reaching the Earth’s gravitational sphere of influence in order to enter …

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Microgrid Black Start Challenges: The Role Of Grid-Forming Inverters, Gab-Su Seo, Wenzong Wang, Behrooz Mirafzal Nov 2025

Microgrid Black Start Challenges: The Role Of Grid-Forming Inverters, Gab-Su Seo, Wenzong Wang, Behrooz Mirafzal

Faculty Publications

Grid-forming (GFM) inverters are becoming increasingly important for future power systems, particularly in establishing and restarting microgrids after blackouts. The use of GFM inverters enables microgrids to operate independently of utility power and provide key advantages over synchronous generators in black start scenarios, including rapid startup and stable voltage and frequency support for critical loads. However, inverter-driven black start introduces unique challenges and operational considerations. This article examines key challenges and solutions, emphasizing inverter design, control strategies, and microgrid system requirements. Drawing on analysis, simulation, and experimental results, this article highlights the central role of GFM inverters in ensuring reliable …

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User Interface And Watchstation Improvements Required For Multi-Vehicle Usv Operations, Val Schmidt, Joshua Bergeron Nov 2025

User Interface And Watchstation Improvements Required For Multi-Vehicle Usv Operations, Val Schmidt, Joshua Bergeron

Faculty Publications

In October 2024, the University of New Hampshire and NOAA’s Uncrewed Systems Office embarked on a mapping mission in the Gulf of Maine, simultaneously operating two DriX Un-crewed Surface Vehicles. Goals of the project were focused on testing hypotheses related to concepts of operation, including the safety of operations, cognitive loading of operators, management of vehicle endurance, vehicle logistics, maintenance and field support, refueling and a host of others.

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On The Derivation Of The Ungerboeck Observation Model For Offset Qpsk, Michael Rice Nov 2025

On The Derivation Of The Ungerboeck Observation Model For Offset Qpsk, Michael Rice

Faculty Publications

This report derives maximum likelihood sequence estimator for Offset QPSK (OQPSK) operating over frequency selective channel. The maximum likelihood sequence estimator takes the form of the Viterbi Algorithm operating on a trellis defined intersymbol interference caused by the frequency selective channel. Because the distorted pulse shape does not satisfy the Nyquist no-ISI criterion, the matched filter output samples contain correleted noise. The derivation uses Ungerboeck’s method to create a recursive causal metric suitable for use with the Viterbi Algorithm.

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A Fragility Framework For Surface Erosion With Application To Earthen Dam Breaching, Ege C. Kurter, Ayman Mokhtar Nemnem, M. Hanif Chaudhry, Jasim Imran Nov 2025

A Fragility Framework For Surface Erosion With Application To Earthen Dam Breaching, Ege C. Kurter, Ayman Mokhtar Nemnem, M. Hanif Chaudhry, Jasim Imran

Faculty Publications

Overtopping failures of earthen dams are a growing concern under intensifying extreme rainfall. This study introduces a probabilistic fragility framework that combines hydrologic modeling, hydraulic analysis, and soil erodibility to assess erosion risk under uncertain load and resistance. Fragility curves derived from Monte Carlo simulations quantify erosion initiation and severity as functions of rainfall depth and excess shear stress. Application to multiple dams affected during the 2015 South Carolina floods reproduces observed outcomes ranging from complete breach to no damage. The framework also captures cascading effects, where failure of an upstream structure increases downstream loading and erosion potential. Compared with …

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A Fragility Framework For Surface Erosion With Application To Earthen Dam Breaching, Ege C. Kurter, Ayman Mokhtar Nemnem, M. Hanif Chaudhry, Jasim Imran Nov 2025

A Fragility Framework For Surface Erosion With Application To Earthen Dam Breaching, Ege C. Kurter, Ayman Mokhtar Nemnem, M. Hanif Chaudhry, Jasim Imran

Faculty Publications

Overtopping failures of earthen dams are a growing concern under intensifying extreme rainfall. This study introduces a probabilistic fragility framework that combines hydrologic modeling, hydraulic analysis, and soil erodibility to assess erosion risk under uncertain load and resistance. Fragility curves derived from Monte Carlo simulations quantify erosion initiation and severity as functions of rainfall depth and excess shear stress. Application to multiple dams affected during the 2015 South Carolina floods reproduces observed outcomes ranging from complete breach to no damage. The framework also captures cascading effects, where failure of an upstream structure increases downstream loading and erosion potential. Compared with …

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Pyrolysis Of Foliage From 24 U.S. Plant Species With Recommendations For Physics-Basedwildland Fire Models, Mahsa Alizadeh, Thomas H. Fletcher Oct 2025

Pyrolysis Of Foliage From 24 U.S. Plant Species With Recommendations For Physics-Basedwildland Fire Models, Mahsa Alizadeh, Thomas H. Fletcher

Faculty Publications

Pyrolysis of 24 samples of foliage from three U.S. regions with frequent wildland fires (Southeastern U.S., northern Utah and Southern California) was studied in a fuel-rich flat-flame burner system at 765 ◦C (for Southeastern U.S. samples) and 725 ◦C (for northern Utah and Southern California species), with a heating rate of approximately 180 ◦C/s. These conditions were selected to mimic the conditions of wildland fires. Individual plant samples were introduced to the high temperature zone in a flat-flame burner and pyrolysis products were collected. Tar was extracted and later analyzed by GC/MS. Light gases were collected and analyzed by GC/TCD. …

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A Gas-Tight Bonding/Sealing Of Different Bulk Ceramics For Robust Oxygen Separation At Ultra-High Temperatures, Guoan Wang, Xingjian Xue Oct 2025

A Gas-Tight Bonding/Sealing Of Different Bulk Ceramics For Robust Oxygen Separation At Ultra-High Temperatures, Guoan Wang, Xingjian Xue

Faculty Publications

Oxygen transport membrane (OTM) is an economic technology for oxygen separation and high-purity oxygen production. To mitigate various issues induced by high temperatures, intermediate temperature OTM technology has been pursued in recent years. However, in certain circumstances, high operating temperatures are unavoidable, such as in situ oxygen production using OTMs for direct oxy-combustion. Nevertheless, the lack of reliable high temperature gas-tight sealing imposes great challenges on OTM technology for such applications. Herein, a novel sealing strategy is developed to obtain a gas-tight bonding/sealing of two different bulk ceramics using ceramic slurry in combination with phase inversion process. The sealing strategy …

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Teaching Machine Learning To Undergraduate Electrical Engineering Students, Gerald L. Fudge, Anika Rimu, William Zorn, July Ringle, Cody Barnet Oct 2025

Teaching Machine Learning To Undergraduate Electrical Engineering Students, Gerald L. Fudge, Anika Rimu, William Zorn, July Ringle, Cody Barnet

Faculty Publications

Proficiency in machine learning (ML) and the associated computational math foundations have become critical skills for engineers. Required areas of proficiency include the ability to use available ML tools and the ability to develop new tools to solve engineering problems. Engineers also need to be proficient in using generative artificial intelligence (AI) tools in a variety of contexts, including as an aid to learning, research, writing, and code generation. Using these tools properly requires a solid understanding of the associated computational math foundation. Without this foundation, engineers will struggle with developing new tools and can easily misuse available ML/AI tools, …

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Online Cyber-Physical Neural Network Model For Real-Time Hybrid Simulation, Faisal Nissar Malik, Liang Cao, James Ricles, Austin Downey Oct 2025

Online Cyber-Physical Neural Network Model For Real-Time Hybrid Simulation, Faisal Nissar Malik, Liang Cao, James Ricles, Austin Downey

Faculty Publications

Real-time hybrid simulation (RTHS) is an experimental testing methodology that divides a structural system into an analyticaland an experimental substructure. The analytical substructure is modeled numerically, and the experimental substructure ismodeled physically in the laboratory. The two substructures are kinematically linked together at their interface degrees of freedom,and the coupled equations of motion are solved in real-time to obtain the response of the complete system. A key challenge inapplying RTHS to large or complex structures is the limited availability of physical devices, which makes it difficult to representall required experimental components simultaneously. The present study addresses this challenge by introducing …

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A New Low-Rate Stable Hydrogel Cathode For Aqueous Zn-Ion Batteries, Roya Rajabi, Shichen Sun, Jamil A. Khan, Morgan Stefik, Kevin Huang Oct 2025

A New Low-Rate Stable Hydrogel Cathode For Aqueous Zn-Ion Batteries, Roya Rajabi, Shichen Sun, Jamil A. Khan, Morgan Stefik, Kevin Huang

Faculty Publications

Aqueous Zn-ion batteries (ZIBs) are attractive candidates for large-scale energy storage owing to the abundance, low cost, and intrinsic safety of Zn metal. However, their practical application is hindered by poor cycle stability, especially at low current densities, due to cathode dissolution and limited electrochemically active sites (EAS). Herein, a hydrogel-based cathode comprising ammonium vanadate, carbon black, and a Zn-ion-conducting carboxymethyl chitosan–acrylamide hydrogel matrix doped with Zn(ClO4)2 is reported. This design establishes a continuous Zn-ion-conducting network, thereby maximizing EAS density throughout the electrode volume. The ZIB with the hydrogel cathode exhibits outstanding cycling stability, with 77% capacity retention after 2000 …

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Fuel Adulteration Detection Using Open-Ended Coaxial Line And Circular Waveguide Techniques, Abdulrahman Alofi, Ahmed Shamseldin, Sharif Iqbal M. Sheikh, Hussein Attia Oct 2025

Fuel Adulteration Detection Using Open-Ended Coaxial Line And Circular Waveguide Techniques, Abdulrahman Alofi, Ahmed Shamseldin, Sharif Iqbal M. Sheikh, Hussein Attia

Faculty Publications

Fuel adulteration, the practice of blending lower-quality substances like kerosene with gasoline, poses significant challenges for ensuring fuel quality and safety. This study investigates two electromagnetic-based methods for detecting such adulteration: the open-ended coaxial line method and the circular waveguide method. The results reveal that the open-ended coaxial line technique is particularly effective in detecting kerosene contamination, identifying levels as low as 10% by measuring changes in the dielectric constant of the gasoline-kerosene mixture. Operating in the frequency range of 0.25–1.25 GHz, this method captures subtle changes in permittivity. In contrast, the circular waveguide method evaluates contamination by monitoring shifts …

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Vertical Sorting Of Bed Material In Gravel-Bed Streams-- Insights From Long-Term Observations In East Creek, British Columbia, Marwan A. Hassan, Tianqi Xing, Conor Mcdowell, Kevin J. Pierce, Mike Turley, Sol Leader-Cole, Enrica Viparelli Oct 2025

Vertical Sorting Of Bed Material In Gravel-Bed Streams-- Insights From Long-Term Observations In East Creek, British Columbia, Marwan A. Hassan, Tianqi Xing, Conor Mcdowell, Kevin J. Pierce, Mike Turley, Sol Leader-Cole, Enrica Viparelli

Faculty Publications

The vertical sorting of streambed grains is a key control on river channel stability and sediment transport rates. In this study, we report on burial depths and mobility characteristics of coarse sediment in a small gravel-bed stream using an extensive data set of nearly 1,500 magnetically tagged tracer grains, deployed and annually surveyed between 2004 and 2018. We observe that sediment burial correlates with grain size and event magnitude, and we identify correlations between the burial depths of coarse grains and their mobility, residence time, and travel distance characteristics. A particularly large event in 2007 produced significant vertical sorting which …

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Intrinsic Defects (Vacancies And Antisites) In Neutron Irradiated Cdsip2 Crystals, Timothy D. Gustafson, Elizabeth M. Scherrer, Nancy C. Giles, Kevin T. Zawilski, Peter G. Schunemann, Jonathan E. Slagle, Kent L. Averett, Larry E. Halliburton Oct 2025

Intrinsic Defects (Vacancies And Antisites) In Neutron Irradiated Cdsip2 Crystals, Timothy D. Gustafson, Elizabeth M. Scherrer, Nancy C. Giles, Kevin T. Zawilski, Peter G. Schunemann, Jonathan E. Slagle, Kent L. Averett, Larry E. Halliburton

Faculty Publications

Cadmium silicon phosphide (CdSiP2) is a nonlinear optical material widely used in optical parametric oscillators. Intrinsic defects (vacancies and antisites) are responsible for unwanted broad optical absorption bands in these crystals that degrade the performance of the devices. In the present work, optical absorption and electron paramagnetic resonance (EPR) spectra are acquired (at room temperature and 12 K, respectively) from a neutron-irradiated CdSiP2 crystal. After the irradiation, the crystal is highly absorbing from the band edge near 600 nm to beyond 1.3 μm because of overlapping defect-related absorption bands. Heating to 550 °C removes nearly all the …

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Evaluating Platinum, Gold, Glassy Carbon, And Graphite Anodes For Chlorine Evolution In Molten Calcium Chloride Salt, Cameron Vann, Shelssie Klvacek, Carlos Mejia, Devin Rappleye Oct 2025

Evaluating Platinum, Gold, Glassy Carbon, And Graphite Anodes For Chlorine Evolution In Molten Calcium Chloride Salt, Cameron Vann, Shelssie Klvacek, Carlos Mejia, Devin Rappleye

Faculty Publications

The chlorine evolution reaction (CER) in molten CaCl2 plays a critical role in high-temperature electrochemical processes, including chlorination, metal refining, and used nuclear fuel treatment. This study evaluates the performance of gold (Au), platinum (Pt), glassy carbon (GC), and graphite anodes for the CER under consistent electrochemical conditions. Anode performance was assessed based on chlorine (Cl2) gas evolution, material robustness, and kinetic parameters. Cl2 generation was directly confirmed using quadrupole mass spectrometry for Pt, GC, and graphite anodes. GC and graphite demonstrated stable and sustained CER activity. Pt and Au were shown to have significant mass …

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A Comprehensive Assessment And Benchmark Studyof Large Atomistic Foundation Models For Phonons, Md Zaibul Anam, Ogheneyoma Aghoghovbia, Mohammed Al-Fahdi, Lingyu Kong, Victor Fung, Ming Hu Oct 2025

A Comprehensive Assessment And Benchmark Studyof Large Atomistic Foundation Models For Phonons, Md Zaibul Anam, Ogheneyoma Aghoghovbia, Mohammed Al-Fahdi, Lingyu Kong, Victor Fung, Ming Hu

Faculty Publications

The rapid development of universal machine learning potentials (uMLPs) has enabled efficient, accurate predictions of diverse material properties across broad chemical spaces. While their capability for modeling phonon properties is emerging, systematic benchmarking across chemically diverse systems remains limited. We evaluate six recent uMLPs—EquiformerV2, MatterSim, MACE, and CHGNet—on 2429 crystalline materials from the Open Quantum Materials Database. Models were used to compute atomic forces in displaced supercells, derive interatomic force constants (IFCs), and predict phonon properties including lattice thermal conductivity (LTC), compared with density functional theory and experimental data. The EquiformerV2 pretrained model trained on the OMat24 dataset exhibits strong …

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Using Serial Open Circuit Potentiometry To Study Ce And Gd Deposition In Molten Licl-Kcl Eutectic, Ranon G. Fuller, Guy L. Fredrickson, Devin Rappleye Oct 2025

Using Serial Open Circuit Potentiometry To Study Ce And Gd Deposition In Molten Licl-Kcl Eutectic, Ranon G. Fuller, Guy L. Fredrickson, Devin Rappleye

Faculty Publications

The ability to electrochemically separate individual species in a pyrochemical reprocessing salt relies on first being able to detect a separation in their reaction potentials. This requires the ability to measure reaction potentials with extreme precision. In this work, we introduce a novel technique called serial open circuit potentiometry (SOCP) and demonstrate its effectiveness at precisely measuring metal deposition reaction potentials. SOCP has several advantages over traditional open circuit potentiometry, including its abilities to quantify the error of measured equilibrium potentials by averaging many individual OCP measurements, determine overpotential deposition nucleation potentials to instrument precision, and simultaneously determine the nucleation …

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Detecting Polar Ring Galaxies Via Deep Learning, Fawad Kirmani, Anathavishnu S. Unnii, Varsha P. Kulkarni, Kyle Lackey, John R. Rose Oct 2025

Detecting Polar Ring Galaxies Via Deep Learning, Fawad Kirmani, Anathavishnu S. Unnii, Varsha P. Kulkarni, Kyle Lackey, John R. Rose

Faculty Publications

Polar ring galaxies (PRGs) are peculiar galaxies that show a ring of stars, gas, and dust oriented roughly over the poles of the central ‘host’ galaxy (i.e. roughly orthogonal to the disc of the host galaxy). The formation models for these rings involve mergers or tidal interactions of the host galaxy with another galaxy. Although the identified PRGs look different from each other, they all have a ring that is not in the same plane as the disc of the host galaxy. Unlike in galaxies such as our Milky Way, where stars form in spiral arms, the rings exemplify an …

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Integration Of Sco2 Brayton Cycles With Carbon Capture Systems, Nathan C. Stearns, Rajarshi Roy, Brian Schooff, Andrew Chiodo, Andrew R. Fry, Brian D. Iverson Oct 2025

Integration Of Sco2 Brayton Cycles With Carbon Capture Systems, Nathan C. Stearns, Rajarshi Roy, Brian Schooff, Andrew Chiodo, Andrew R. Fry, Brian D. Iverson

Faculty Publications

Increasing global energy consumption and greater market penetration of intermittent energy sources require a baseline power source to enable renewable energies. Here, a case is made for pairing supercritical CO2 Brayton cycles with carbon capture to create low-emission, high-efficiency, combustion-based power generation systems. Pairing carbon capture and storage (CCS) systems with supercritical carbon dioxide (sCO2) Brayton cycles enables the reduction of greenhouse gas emissions in combustion systems, but with an associated energy cost. Three different representative models of CCS systems (oxyfuel combustion, amine scrubbing, and cryogenic carbon capture) are considered for pairing with an sCO2 Brayton cycle, …

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Fast, Slow, And Metacognitive Thinking In Ai, M. Bergamaschi Ganapini, M. Campbell, F. Fabiano, L. Horesh, J. Lenchner, A. Loreggia, N. Mattei, F. Rossi, Biplav Srivastava, K. B. Venable Oct 2025

Fast, Slow, And Metacognitive Thinking In Ai, M. Bergamaschi Ganapini, M. Campbell, F. Fabiano, L. Horesh, J. Lenchner, A. Loreggia, N. Mattei, F. Rossi, Biplav Srivastava, K. B. Venable

Faculty Publications

Inspired by the ”thinking fast and slow” cognitive theory of human decision making, we propose a multi-agent cognitive architecture (SOFAI) that is based on ”fast”/”slow” solvers and a metacognitive module. We then present experimental results on the behavior of an instance of this architecture for AI systems that make decisions about navigating in a constrained environment. We show that combining the two decision modalities through a separate metacognitive function allows for higher decision quality with less resource consumption compared to employing only one of the two modalities. Analyzing how the system achieves this, we also provide evidence for the emergence …

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Polymorphism Crystal Structure Prediction With Adaptive Space Group Diversity Control, Sadman Saadeed Omee, Lai Wei, Jianjun Hu Sep 2025

Polymorphism Crystal Structure Prediction With Adaptive Space Group Diversity Control, Sadman Saadeed Omee, Lai Wei, Jianjun Hu

Faculty Publications

Crystalline materials can form different structural arrangements (i.e., polymorphs) with the same chemical composition, exhibiting distinct physical properties depending on how they are synthesized or the conditions under which they operate. For example, carbon can exist as graphite (soft, conductive) or diamond (hard, insulating). Computational methods that can predict these polymorphs are vital in materials science, which help understand stability relationships, guide synthesis efforts, and discover new materials with desired properties without extensive trial-and-error experimentation. However, effective crystal structure prediction (CSP) algorithms for inorganic polymorph structures remain limited. ParetoCSP2 is proposed, a multi-objective genetic algorithm for polymorphism CSP that incorporates …

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