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At least 811 records · Page 45

CUDO: closed-form universal dwell-time optimization for computer-controlled optical surfacing

Precision optical figuring demands fast and accurate dwell time optimization to reach nanometer- and sub-nanometer-level accuracy in next-generation optical systems. We introduce CUDO (closed-form universal dwell-time optimization), the first, to the best of our knowledge, unified closed-form analytical framework that supports both function-form and matrix-form dwell time models in computer-controlled optical surfacing (CCOS). In contrast to traditional methods, which rely on iterative optimization and hyperparameter tuning, our framework derives direct analytical solutions with no adjustable parameters. This approach unifies the solution principles of existing methods within a single mathematical model, delivering three key advantages: (1) accuracy on par with, or superior to, iterative solvers, (2) substantial reduction in computation time, and (3) numerical robustness. Comparative studies with prior art confirm that closed-form solutions achieve equivalent residual error while removing runtime bottlenecks. By simplifying the implementation and enabling real-time, scalable deployment, CUDO establishes a practical foundation for future deterministic fabrication of large-aperture and high-performance optics.

36 MATERIALS SCIENCE↗

Radiation Mapping UAV [Poster]

The NuMI (Neutrinos at the Main Injector) target system delivers a high-energy flux of muon-neutrinos towards a detector more than 800 km away with the goal of better understanding the origin of the universe and its evolution. The target system becomes radioactive because it is irradiated by a sub-Mega-Watt power proton beam. Radiological hazard is one of critical issues for a radiological worker which limits the iractivities near the target system; however, they often need to quantify the radiation level of the target system manually. Thus, the objective of this project is to reduce their exposure to radiation while improving the accuracy of the measurements. A quadcopter UAV fitted with a radiation dosimeter is ideal to traverse the irradiated environment as it can be deployed in any space and requires minimal hardware integration to the test room. Due to the lack of indoor GPS signal, this UAV utilizes a series of ultrasonic beacons that release several varied-frequency pulses simultaneously in order to localize the drone. The flight controller returns a 3D coordinate tied to the radiation data to understand precisely where radiation spikes are being emitted from the horn. The flight controller stores log data that can be processed into an easily interpretable map of radiation intensities. The radiation map serves as one of the primary references for planning the transportation of the NuMI horn.

43 PARTICLE ACCELERATORS↗

EcoSpec: Highly Equipped Tower-Based Hyperspectral and Thermal Infrared Automatic Remote Sensing System for Investigating Plant Responses to Environmental Changes

Despite an advanced ability to forecast ecosystem functions and climate at regional and global scales, little is known about relationships between local variations in water and carbon fluxes and large-scale phenomena. To enable data collection of local-scale ecosystem functions to support such investigations, we developed the EcoSpec system, a highly equipped remote sensing system that houses a hyperspectral radiometer (350–2500 nm) and five optical and infrared sensors in a compact tower. Its custom software controls the sequence and timing of movement of the sensors and system components and collects measurements at 12 locations around the tower. The data collected using the system was processed to remove sun-angle effects, and spectral vegetation indices computed from the data (i.e., the Normalized Difference Vegetation Index (NDVI), Normalized Difference Water Index (NDWI), Photochemical Reflectance Index (PRI), and Moisture Stress Index (MSI)) were compared with the fraction of photochemically active radiation (fPAR) and canopy temperature. The results showed that the NDVI, NDWI, and PRI were strongly correlated with fPAR; the MSI was correlated with canopy temperature at the diurnal scale. These correlations suggest that this type of near-surface remote sensing system would complement existing observatories to validate satellite remote sensing observations and link local and large-scale phenomena to improve our ability to forecast ecosystem functions and climate. The system is also relevant for precision agriculture to study crop growth, detect disease and pests, and compare traits of cultivars.

47 OTHER INSTRUMENTATION↗

Conducting polymer-based electrochemical sensors: Progress, challenges, and future perspectives

Conducting polymers are promising due to their unique properties, such as excellent electrical and optical properties, physical and chemical stability, high conductivity, and effective redox properties with high-temperature stability and biocompatibility. Due to these properties, conducting polymers are useful in diverse applications like sensors, batteries, oil industries, biosensors, biomedicines, catalysis, cancer treatment, etc. This review article aims to discuss the recent trends and analysis of conducting polymer-based electrochemical sensors in diverse areas with all required sensor characteristics, such as the derived limit of detection, utilized techniques for the sensing analysis and derived linear dynamic range with the stability of the sensors. Conducting polymers and their nanocomposites-based electrochemical sensors have demonstrated exceptional capabilities towards detecting various biomolecules, heavy metals, pesticides, and viruses like SARS-COV-2. Incorporation of redox mediators, use of conducting hydrogels, and molecular imprinting are promising strategies for better performance of the derived sensor. The article has demonstrated the existing challenges and limitations and provided solutions in the field. In the future, conducting polymers-based electrochemical sensors can be utilized in wearable sensors and integrated with IoT devices for better reach in real-time applications. They can also be made more accessible with precise control and data output by following specific methodologies. Utilizing green and sustainable conducting polymers can be crucial in advancing eco-friendly practices in the future. Conducting polymer-based electrochemical sensors has affectivity in neurochemical and pathogen sensing, which is essential for brain function and mental health.

42 ENGINEERING↗

Al–W gradient density materials—Processing and dynamic ramp compression

Materials with high-density gradients are desired for controlling loading paths in dynamic compression, important for studying material properties in extreme conditions and inertial confinement fusion. The large density difference between Al and W makes them ideal choices for producing gradient density materials, but their extremely different melting temperatures make them challenging to fabricate simultaneously. We report a method for producing Al–W porosity-free materials with a fourfold increase in density (2.7–11 g/cm 3 ) across the composition range, from Al-rich to W-rich, without intermetallic phase formation. This was achieved by understanding the aluminum-dominated densification behavior and examining the influence of pressure and temperature on the densification of Al–W composites. Dynamic compression experiments conducted with the Al–W gradient density material produced shock ramp compressions as expected based on the designed composition, and the performed hydrodynamics simulations showed excellent agreement with experimental results. The results demonstrate that current activated pressure-assisted densification allows for the easy and rapid fabrication of gradient density materials with significant density gradients and tailored compositions, facilitating precise control of the loading paths. These materials have the potential to create customized pressure drives for advancing the fields of material science in extreme environments and dynamic compression.

Alloys↗

Detection of Anatoxins in Human Urine by Liquid Chromatography Triple Quadrupole Mass Spectrometry and ELISA

Harmful cyanobacterial blooms are becoming more common and persistent around the world. When in bloom, various cyanobacterial strains can produce anatoxins in high concentrations, which, unlike other cyanobacterial toxins, may be present in clear water. Potential human and animal exposures to anatoxins occur mainly through unintentional ingestion of contaminated algal mats and water. To address this public health threat, we developed and validated an LC-MS/MS method to detect anatoxins in human urine to confirm exposures. Pooled urine was fortified with anatoxin-a and dihydroanatoxin at concentrations from 10.0 to 500 ng/mL to create calibrators and quality control samples. Samples were diluted with isotopically labeled anatoxin and solvent prior to LC-MS/MS analysis. This method can accurately quantitate anatoxin-a with inter- and intraday accuracies ranging from 98.5 to 103% and relative standard deviations < 15%, which is within analytical guidelines for mass spectrometry methods. Additionally, this method qualitatively detects a common degradation product of anatoxin, dihydroanatoxin, above 10 ng/mL. We also evaluated a commercial anatoxin-a ELISA kit for potential diagnostic use; however, numerous false positives were detected from unexposed individual human urine samples. In conclusion, we have developed a method to detect anatoxins precisely and accurately in urine samples, addressing a public health area of concern, which can be applied to future exposure events.

urine↗

Efficient Perovskite Solar Cells Achieved via Rapid Photonic Annealing of all Stacking Layers: Unveiling the Crystallization Energy Window

In this study, we report high-performance perovksite solar cells (PSCs) with rapid photonic annealing (RPA) of all stacking layers, enabled by ultraviolet (UV) light-emitting diode (LED) sources, to replace lengthy and energy-intensive thermal annealing (TA). The UV-LED annealing technique allows for layer-specific annealing, where the selected light source provides a precise UV wavelength for maximizing the amount of light absorption by the target layer. The disparity in optical absorption between the target layer and the underlying films allows the stack of the underlying films to remain relatively unaffected, making this process ideal for heating sensitive substrates. Along with a systematic investigation into the layer-specific annealing mechanism of RPA, the results demonstrated that this UV-LED-based photonic annealing of all stacking layers (7 s for perovskite absorber) can produce PSCs with the power conversion efficiency (PCE) of over 23%, the highest reported among optically annealed PSCs. Moreover, the RPA device retains over 80% of the initial PCE over 1000 h under continuous 1 sun illumination at 55 °C and 30%–60% relative humidity (RH), while TA control device drops to 50% of its initial efficiency. Furthermore, these findings represent significant strides toward achieving rapid, cost-effective, and scalable manufacturing of commercial perovskite photovoltaics (PV).

14 SOLAR ENERGY↗

Ethylene Polymerizations Catalyzed by Fluorinated “Sandwich” Diimine-Nickel and Palladium Complexes

Nickel and palladium complexes bearing “sandwich” diimine ligands with perfluorinated aryl caps have been synthesized, characterized, and explored in ethylene polymerization reactions. The X-ray crystallographic analysis of the precatalysts 16 and 6b show differences from their non-fluorinated analogues 17 and 19, with the perfluorinated aryl caps centered precisely over the nickel and palladium centers which results in higher buried volumes of the metal centers relative to the non-fluorinated analogs. The sandwich diimine palladium complexes 5a and 5b containing perfluorinated aryl caps polymerize ethylene in a controlled fashion with activities that are substantially increased compared with their non-fluorinated analogues. Migratory insertion rates in relevant methyl ethylene complexes agree with activities exhibited in bulk polymerization experiments. DFT studies suggest that facility of ethylene rotation from its preferred orientation perpendicular to the Pd-alkyl bond into a parallel in-plane conformation contributes to the higher polymerization activity for 5b relative to 18a. For these palladium systems polymer molecular weights can be controlled via hydrogen addition (hydrogenolysis) which is unusual for late transition metal-catalyzed olefin polymerizations with no catalyst deactivation occurring. Sandwich diimine nickel complexes 6a and 6b with perfluorinated aryl caps show ethylene polymerization activities that are about half that of classical tetraisopropyl-substituted catalyst 2 but again are more active than the analogous nonfluorinated sandwich complexes. Ethylene polymerizations exhibit living behavior and branched ultra-high molecular weight polyethylenes (UHMWPEs) with very low molecular weight distributions (less than 1.1) are obtained. The activated nickel catalysts are stable in the absence of monomer and show good long-term stability at 25 °C.

36 MATERIALS SCIENCE↗

Tuning of the electronic and vibrational properties of epitaxial MoS 2 through He-ion beam modification

Abstract Atomically thin transition metal dichalcogenides (TMDs), like MoS 2 with high carrier mobilities and tunable electron dispersions, are unique active material candidates for next generation opto-electronic devices. Previous studies on ion irradiation show great potential applications when applied to two-dimensional (2D) materials, yet have been limited to micron size exfoliated flakes or smaller. To demonstrate the scalability of this method for industrial applications, we report the application of relatively low power (50 keV) 4 He + ion irradiation towards tuning the optoelectronic properties of an epitaxially grown continuous film of MoS 2 at the wafer scale, and demonstrate that precise manipulation of atomistic defects can be achieved in TMD films using ion implanters. The effect of 4 He + ion fluence on the PL and Raman signatures of the irradiated film provides new insights into the type and concentration of defects formed in the MoS 2 lattice, which are quantified through ion beam analysis. PL and Raman spectroscopy indicate that point defects are generated without causing disruption to the underlying lattice structure of the 2D films and hence, this technique can prove to be an effective way to achieve defect-mediated control over the opto-electronic properties of MoS 2 and other 2D materials.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Hydrogen Detection Strategies to Support H2@SCALE - The NREL Sensor Laboratory

Hydrogen represents a major pathway to decarbonize and stabilize the national and international energy industry and select manufacturing markets. To facilitate the development of hydrogen markets, the US Department of Energy initiated H2@Scale to bring together stakeholders to advance affordable hydrogen production, transport, storage, and utilization to increase revenue opportunities in multiple energy sectors. One major impediment to hydrogen implementation is cost. To expedite the use of hydrogen in energy and other markets, the United States announced in 2021 the Hydrogen Shot, which seeks to reduce the cost of clean hydrogen by 80% to $1 per 1 kilogram in 1 decade ("1 1 1"). As the cost of hydrogen drops, new applications will emerge that will require unique configurations of existing equipment and infrastructure, and eventually lead to advances in the generation and utilization of hydrogen. As the hydrogen economy expands, sensors and detection methods will need to adapt to changing infrastructure demands to address the primary targets of health & safety, emissions monitoring, and process control. The NREL Sensor Laboratory is playing a pivotal role in advancing the use of hydrogen sensors and detection methodologies in each of these categories to support DOE's mission for safe and efficient utilization in emerging markets. Health & safety monitors are required to ensure that operators and facilities can react to unintended hydrogen releases, either as GH2, LH2, or as a constituent of blends (e.g., natural gas or ammonia). Current detection methodologies focus on safety applications to detect near its lower flammable limit (4 vol %), and typically include point sensors in applications such as fixed or mobile detectors (e.g., personal gas monitors). Methodologies amenable for area detection include acoustic, emerging optical imaging methods, and flame detectors. Comparable detection strategies can be utilized for emissions monitoring and quantization, however few methods can simultaneously cover both low (emissions) and high (health & safety) levels. Deployment of emission level detectors will be required to 1) reduce product loss through small but potentially significant leaks from an environmental or cost perspective, 2) reduce downtime of high demand systems by early identification of eminent system failures (leaks through pump or compressor seals indicative of impending failure), and 3) address potential emission monitoring requirements that may be set by regulating bodies. The first two points should be adopted by industry to reduce the cost-of-goods-sold. The third main category for hydrogen detection relates to process control and may be advantageous for many existing applications. Two main applications are emerging. For example, the purity requirements for hydrogen that is dispensed from refueling systems for hydrogen fuel cell electric vehicles (FCEV) is rigorously regulated by the Standard SAE J2719, which prescribes maximum allowable levels of multiple impurities in the hydrogen fuel and must be verified by a regulatory body. Hydrogen contaminant detectors (HCD) integrated to the fueling station can assure this compliance. HCDs must be able operate in 100% H2 backgrounds and be able to distinguish between multiple contaminants at low ppm to low ppb levels. Secondly, as a strategy to decarbonize the natural gas grid, there are proposals to blend hydrogen with natural gas. This blending will affect transport applications (pipeline infrastructure), stationary combustion systems (turbines), and consumer and commercial appliances. In the short-term, hydrogen levels up to 20% are proposed. Variations in the hydrogen level can have dramatic impact on the combustion process and on the potential response of safety sensors. These mixtures may be regulated so that the concentration at a delivery point must be monitored with high precision. However, routine maintenance may introduce background gases such as ambient air (with water) or maintenance gases (introduced with welding processes or adhesive outgassing.) Therefore, the detection methodology must be robust enough to recover or respond to various contaminants. Several reviews can be found in literature addressing sensing and detection technologies, including their limitations and applications. However, for most applications, limitations can be alleviated by combining various detection techniques either through system integration or implementation of machine learning methods (artificial intelligence). In this presentation, we will discuss several applications, highlight their current approach for hydrogen detection, and suggest detection strategies to supplement their limitations.

ENERGY STORAGE,HYDROGEN↗

Molecular insights into Yb(III) speciation in sulfate-bearing hydrothermal fluids from X-ray absorption spectra informed by ab initio molecular dynamics

Rare earth elements (REEs) are critical for advanced technologies, yet in hydrothermal aqueous solutions the molecular level details of their interaction with ligands that control their geochemical transport and deposition remain poorly understood. Here, this study elucidates the coordination behavior of Yb 3+ in sulfate-rich hydrothermal fluids using in situ extended X-ray absorption fine structure (EXAFS) spectroscopy and ab initio molecular dynamics (AIMD) simulations. By integrating multi-angle EXAFS with AIMD-derived constraints, we precisely resolve Yb 3+ coordination structures and ligand interactions under hydrothermal conditions. At room temperature, Yb 3+ is coordinated by five water molecules and two sulfate ligands (coordination number, CN = 8), forming a distorted square antiprism geometry. Increasing temperature induces progressive dehydration, reducing the hydration shell and favoring stronger sulfate complexation. At 200°C, sulfate ligands reorganize around Yb 3+ , shifting its geometry to a capped octahedron (CN = 7). At 300 °C, sulfate binding dominates, leading to structural reorganization that parallels the onset of sulfate mineral precipitation, consistent with the retrograde solubility of REE sulfates. These findings provide direct molecular-scale evidence that sulfate acts as both a transport and deposition ligand, critically influencing REE mobility in geochemical environments. Our results can also help to refine thermodynamic models of REE speciation in high-temperature hydrothermal fluids and improve our understanding of REE ore formation processes in nature.

AIMD↗

Near-field imaging of optical resonances in silicon metasurfaces using photoelectron microscopy

Precise control of light–matter interactions at the nanoscale lies at the heart of nanophotonics. However, experimental examination at this length scale is challenging since the corresponding electromagnetic near-field is often confined within volumes below the resolution of conventional optical microscopy. In semiconductor nanophotonics, electromagnetic fields are further restricted within the confines of individual subwavelength resonators, limiting access to critical light–matter interactions in these structures. In this work, we demonstrate that photoelectron emission microscopy (PEEM) can be used for polarization-resolved near-field spectroscopy and imaging of electromagnetic resonances supported by broken-symmetry silicon metasurfaces. We find that the photoemission results, enabled through an in situ potassium surface layer, are consistent with full-wave simulations and far-field reflectance measurements across visible and near-infrared wavelengths. In addition, we uncover a polarization-dependent evolution of collective resonances near the metasurface array edge taking advantage of the far-field excitation and full-field imaging of PEEM. Here, we deduce that coupling between eight resonators or more establishes the collective excitations of this metasurface. All told, we demonstrate that the high-spatial resolution hyperspectral imaging and far-field illumination of PEEM can be leveraged for the metrology of collective, non-local, optical resonances in semiconductor nanophotonic structures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Synchronous Machine Governor Upgrade

Conventional generation sources play a critical role in the stability and reliability of the electrical grid, particularly as we transition towards more renewable energy sources. To understand and accurately emulate their behavior for optimizing grid operations and ensuring seamless integration with renewable technologies, it is essential to better emulate the grid- and plant-level impacts of conventional generation sources, such as natural gas (NG) driven heat recovery steam generators (HRSGs) and combustion turbines (CTs). Therefore, a governor model is developed in a programmable logic controller (PLC) to investigate the performance of the conventional generator under various dynamic operating conditions and to identify the impact on grid stability in a controlled environment. The governor model aims to enable the hardware-in-the-loop (HIL) based emulation of these conventional generation sources using the existing 2 MVA synchronous machine/generator that is driven by a flexible 2.5 MW variable speed drive. This setup will allow us to replicate the dynamic characteristics and response behaviors of NG-driven HRSGs and CTs. The controls for the emulated conventional plants follow the industry standard and are adjustable, ensuring they accurately reflect the operational capabilities and limitations of real-world systems. These controls include load-following capabilities, ramp rates, startup and shutdown sequences, and emissions characteristics. By incorporating these adjustable controls, we aim to capture the nuanced impacts of conventional generation, such as their ability to provide ancillary services like frequency regulation, voltage support, and spinning reserve. In this report, we simulate two types of dynamic operations: grid-connected and islanding. For each dynamic operation, representative starting sequences are tested, including turbine purge, ignition, speed ramping up, generator excitation and synchronizing, and breaker close. The HIL based tests provides insights for field deployment, specifically the high-fidelity governor model provides results to predict the potential stability and reliability risk and suggest possible integration measures (e.g., generation and load balancing, tuning of governor control parameters). Ultimately, this enhanced emulation capability will be integrated into our Advanced Research on Integrated Energy Systems (ARIES), enabling us to conduct comprehensive studies on the interactions between conventional and renewable energy sources. By better understanding these interactions, we can develop strategies to optimize the overall performance and reliability of the grid. This will support the deployment of advanced grid management techniques, such as demand response, grid-forming inverters, and energy storage systems. The main contributions are summarized as follows: (1) This report introduces a PLC-based governor model for gas turbines. This model accurately simulates the dynamic behavior of conventional generation sources under various operational scenarios; (2) The model is integrated with an HIL testbed that includes a 2.5 MW variable speed drive and a 2 MVA synchronous machine. This setup enables realistic, real-time emulation of conventional power plants, particularly NG driven HRSGs and CTs; (3) The developed model is adaptable to various gas turbine configurations and allows for precise control over parameters such as MW ramp rates. This flexibility makes it a valuable tool for future research and industry collaboration; and (4) By incorporating the model into the National Renewable Energy Laboratory's Advanced Research on Integrated Energy Systems, the report lays the groundwork for future studies on interactions between conventional and renewable energy sources, enhancing the ability to develop advanced grid management strategies.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Highly Asymmetric Graphene Layer Doping and Band Structure Manipulation in Rare Earth–Graphene Heterostructure by Targeted Bonding of the Intercalated Gadolinium

Heterostructures consisting of vertically stacked two-dimensional (2D) materials have recently gained large attention due to their highly controllable electronic properties and resulting quantum phases. In contrast to the mechanically stacked multilayered systems, which offer exceptional control over a stacking sequence or interlayer twist angles, the epitaxially grown 2D materials express unprecedented quality and stability over wafer-scale lengths. However, controlling the growth conditions remains a major obstacle toward the formation of complex, epitaxial heterostructures with well-defined electronic properties. Here, we synthesized a trilayer graphene heterostructure on the SiC(0001) substrate with two specific interlayer locations occupied by gadolinium. We applied multitechnique methodology based on low-temperature scanning tunneling microscopy/spectroscopy (STM/S) and angle-resolved photoelectron spectroscopy (ARPES) to determine the intercalant’s locations in the complex, epitaxial graphene heterostructure. Our approach relies on very high quality and large, micrometer-scale homogeneity of the synthesized system. The experimentally determined electronic structure is dominated by the two topmost graphene layers. Overall, our spectroscopic results show quantitative agreement between global ARPES, local STM/S, and density functional theory predictions. The characterized electronic properties primarily reflect highly anisotropic doping levels between the two corresponding graphene layers, which significantly affect the band structure topology. Two pairs of hybridized massive Dirac bands from our initial synthesis–the bilayer graphene on the SiC(0001) substrate–are transformed upon Gd intercalation into two pairs of massless Dirac bands with a new hybridization region in between. Our results open perspectives in the realization of exotic 2D quantum materials via atomically precise synthesis of epitaxial, multilayered graphene–rare earth heterostructures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

HIPPO – A Software Platform for Electricity Market Research and Development

The goal of this project is to provide Regional transmission organizations (RTOs) and independent system operators (ISOs) a market design and prototyping software, High-Performance Power-Grid Optimization (HIPPO), that they can evaluate electricity market design options, calculate market planning strategies and operational performance. With the high standards and strict reliability requirements for operating power systems, impacts of new technologies need to be fully investigated prior to any consideration for adoption. A market design and prototyping software tool which can be used to prototype electricity market design options, to calculate market planning strategies and operational performance with high precision, and to investigate the impacts for integrating future power grid technologies will be valuable to RTOs/ISOs who operate power systems, to vendors like GE and ABB who provide the market solvers, and to market participants and researchers who are actively doing market research. HIPPO is a such tool that can be used to improve the current market operations and provide capabilities for rigorous forward-looking design and prototyping of next-generation energy markets. HIPPO has a high-resolution model for the day-ahead SCUC, which was validated with MISO and GE-Grid Solutions. HIPPO is built with parallel and distributed computing capabilities and can be executed in both multi-thread and high-performance computing (HPC) settings. This capability provides fast solution speed necessary to handle the larger and more complex SCUC problems of real-world cases and the potentially growing size and complexity of future scenarios. In addition, HIPPO has a concurrent optimizer (CO) which manages multiple algorithm executions simultaneously and leverages the advantages from different algorithms. This structure provides flexibility to better benchmark competing approaches. Highly accurate market model, fast solution technologies and flexible model and algorithm control are the features which will make HIPPO an extensible platform for developing and testing multiple approaches to meet a wide range of future market needs.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Predicted Impacts of Pt and Ionomer Distributions on Low-Pt-Loaded PEMFC Performance

Low-cost, high performance proton exchange membrane fuel cells (PEMFCs) have been difficult to develop due to limited understanding of coupled processes in the cathode catalyst layer (CCL). Low-Pt-loaded PEMFCs suffer losses beyond those predicted solely due to reduced catalyst area. Although consensus links these losses to thin ionomer films in the CCL, a precise mechanistic explanation remains elusive. In this publication, we present a physically based PEMFC model with novel structure-property relationships for thin-film Nafion, validated against PEMFC data with low Pt loading. Results suggest that flooding exacerbates kinetic limitations in low-loaded PEMFCs, shifting the Faradaic current distribution. As current density increases, protons travel further into the CCL, resulting in higher Ohmic overpotentials. We also present a parametric study of CCL design parameters. We find that graded Pt and ionomer loadings reduce Ohmic losses and flooding, but individually do not provide significant improvements. However, a dual-graded CCL (i.e., graded Pt and ionomer) is predicted to significantly improve the maximum power density and limiting current compared to uniformly loaded CCLs. This work highlights the importance of accurate transport parameters for thin-film Nafion and provides a pathway to low-cost PEMFCs via precise control of CCL microstructures.

08 HYDROGEN↗

Monitoring of Liquid Metal Reactor Heater Zones with Recurrent Neural Network Learning of Temperature Time Series

Advanced high-temperature fluid reactors (ARs), such as sodium fast reactors (SFRs) and molten salt cooled reactors (MSCRs) utilize high-temperature fluids at ambient pressure. To melt the fluid during reactor startup and prevent fluid freezing during cooldown, the thermal–hydraulic systems of such ARs include heater zones consisting of specific heaters with controllers, temperature sensors, and thermal insulation. The failure of heater zones due to insulation material degradation or improper installation, resulting in parasitic heat losses, can lead to fluid freezing. The detection of faults using a heat-transfer model is difficult because of a lack of knowledge of the experimental details. Data-driven machine learning of heater zone temperature time series offers a viable alternative. In this study, we benchmarked the performance of recurrent neural networks (RNNs) in an analysis of heat-up transient temperature time series of heater zones installed on a liquid sodium vessel. The RNN models include long short-term memory (LSTM) and gated recurrent unit (GRU) networks, as well as their bi-directional variants, BiLSTM and BiGRU. Anomalous temperature points were designated using a percentile-based threshold applied to residual fluctuations in the detrended temperature time series. Additionally, the impact of the exponentially weighted moving average (EWMA) method on detection accuracy was examined. The RNN models’ performance was assessed using precision, recall, and F 1 score metrics. Results demonstrated that RNN models effectively detect anomalies in temperature time series with the best models for each heater zone achieving F 1 scores of over 93%. To explain the variations in RNN model performance across different heater zones, we used Kullback–Leibler (KL) divergence to quantify the relative entropy between training and testing data, and the Detrended Fluctuation Analysis (DFA) to assess long-range temporal correlations. For datasets with strong long-range correlations and minimal relative entropy between training and testing data, GRU is the best-performing model. When the data exhibits weaker long-term correlations and a significant relative entropy between training and testing distributions, BiGRU shows the best performance. For the data sets with intermediate values of both KL divergence and DFA, the best performance is obtained with LSTM and BiLSTM, respectively.

gated recurrent unit↗