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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 289 records · Page 16

Surface heterogeneity propagation and homogenization for pouch cell-scale Li metal anodes

Li metal anode is a promising candidate for next-generation energy storage systems and is widely explored in Li-ion and solid-state batteries. Despite its potential, Li metal anodes face instabilities during long-term cycling, especially when paired with NMC or sulfur-based cathodes, where Li is cycled at high capacities of 6-8 mAh/cm2, equivalent to a thickness of 30-40 µm. During such extensive utilization, degradation mechanisms such as excessive solid electrolyte interphase (SEI), dendrites, and dead Li emerge, and ultimately lead to sudden failure and reduced cycle life. The origin of the degradation mechanisms stem from surface heterogeneities introduced during Li foil manufacturing and storage [1, 2]. As cycling progresses, the local heterogeneities propagate, resulting in uneven Li utilization and degradation-prone regions across the electrode [3], which consequently induce performance variations at the cell level. This heterogeneity propagation is particularly pronounced in large-format pouch cells in practical applications, where the surface effects are magnified. Without a clear understanding of the multi-scale heterogeneities and the development of surface homogenization methods, the performance consistency will be compromised, hindering the commercialization of Li metal batteries. In this presentation, we investigate the evolution of surface heterogeneity propagation on commercially available Li foils. We discover that inhomogeneous Li utilization appears as early as the first half-cycle of formation, manifesting as localized clusters and pits. In pouch cell configurations, these features exhibit areal density variations across the electrode on a scale of millimeters. To improve Li utilization homogeneity, a scalable mechanical brushing method is introduced to remove the chemically heterogeneous surface passivation layer. Furtherore, the influence of utilization homogeneity on cell-to-cell consistency is evaluated using 32 Li-NMC811 pouch cells divided into as-received and brushed Li groups. On the brushed Li, clusters and pits are no longer observable, and the cells exhibit significantly improved consistency in discharge capacity trajectories and cycle lifetime. Overall, this study highlights the role of Li surface utilization homogeneity on long-term cycling performance. Our research provides a pathway for improving large-area electrode uniformity and establishing evaluation methods for cell-to-cell consistency, both are key steps toward the commercialization of Li metal batteries and beyond. [1] Otto, Svenja-K., et al. "In-depth characterization of lithium-metal surfaces with XPS and ToF-SIMS: toward better understanding of the passivation layer." Chemistry of Materials 33.3 (2021): 859-867. [2] Hatzell, Kelsey, et al. "Aligning lithium metal battery research and development across academia and industry." Joule (2024). [3] Kim, Sangwook, et al. "Calendar life of lithium metal batteries: Accelerated aging and failure analysis." Energy Storage Materials 65 (2024): 103147.

25 - ENERGY STORAGE↗

Fast Growth of Ga2O3 on Highly Offcut (100)-Oriented Substrates

Beta-Ga2O3 has emerged as a leading candidate for next-generation power electronics, radio frequency (RF) switches, and extreme environment electronics due to a wide band gap (4.6 - 4.9 eV), high dopability (approximately 40 meV activation energy for an isolated silicon donor), and melt growth characteristics resulting in commercially available 4-inch substrates and commercial demonstrations of 6-inch substrates by multiple techniques. The (100) surface of Ga2O3 is highly desirable from a device and epitaxy standpoint - bulk growth of (100) material is more scalable than (010), the surface is nearly lattice-matched to p-type partner NiO, and Al2O3 incorporates at higher concentrations without phase separation. More importantly, the impact ionization coefficients along the [100] direction are low, leading to the highest possible critical fields. This is advantageous compared to the current state of the art, (001), due to reduced surface defects and increased possible breakdown voltage. However, the epitaxial growth rate on (100) surfaces is less than 10% of other faces due to weak bonding and favorable desorption, and on-axis (100) growth easily forms twin domains. Recent demonstrations have shown growth rate improvements from 0.4 nm/min to 1.5 nm/min by growing on (100) wafers that are offcut 6 degrees in the -c direction. These films show step-flow growth from (20-1) step-edges and high electron mobility due to suppressed twins. Despite these exciting results, offcuts greater than 6 degrees have not been explored due to the waste associated with grinding and polishing large offcuts. In this talk we will discuss the molecular beam epitaxy (MBE) growth and properties of Beta-Ga2O3 grown on (100) substrates offcut in the -c direction up to 13.4 degrees. These large offcuts are enabled by edge-fed film-defined growth (EFG) where the offcut is grown into the surface by pulling the crystal through the EFG die with the seed crystal rotated by the desired offcut angle. We will demonstrate that 13.4 degrees offcut substrates still exhibit a terraced (100) surface, and that a >10x increase (>5 nm/min) in growth rate is achieved. As previously reported on lower offcuts, we observe reversal of substrate twin domains around the (001) direction at the substrate-epilayer interface. We will discuss electrical properties including record-low (by MBE) unintentional doping densities of < 5E15 cm-3 and critical breakdown field in Schottky barrier diodes comparable with state-of-the-art (001) Ga2O3 without edge termination.

36 MATERIALS SCIENCE↗

Fe-single atom catalysts facilitate fast electron transfer with MoS 2 /SnS 2 cathodes in lithium–sulfur batteries

Lithium–sulfur batteries (LSBs) emerge as promising next-generation energy storage systems offering cost-effectiveness, environmental friendliness, and high theoretical energy density. The practical implementation of LSBs faces significant hindrances due to the shuttle effect and sluggish redox reactions. To address these challenges, single-atom catalyst (SAC) based combination materials from d-block elements can offer increased active catalytic sites, rapid charge transfer, accelerated electron migration, and fast sulfur redox conversion kinetics of lithium polysulfides (LiPSs). In this study, we fabricated three different LSB cathodes: pure S, S@MoS 2 /SnS 2 , and S@Fe–MoS 2 /SnS 2 . These cathodes were then used to explore the cycle life, capacity, rate capability, and redox kinetic reactions of LiPSs while assessing the influence of Fe-SACs on their performance. As a result, LSBs with S@Fe–MoS 2 /SnS 2 cathodes demonstrate an extended cycle life of 1000 cycles at a C-rate of 0.2C, maintaining a capacity close to 500 mA h g −1 , the highest initial discharge capacity of 1622 mA h g −1 and 1066 mA h g −1 at 0.05C and 0.2C, and excellent rate capabilities of 708 mA h g −1 and 558 mA h g −1 at 1C and 2C, respectively. The synergistic effect of the Fe-SAC-based combination cathode (S@Fe–MoS 2 /SnS 2 ) creates plentiful adsorptive and highly active catalytic sites, resulting in substantially enhanced capacity for adsorbing soluble long-chain LiPSs. This facilitates ultra-fast redox kinetics, surpassing the performance of the S@MoS 2 /SnS 2 and pure S cathodes. In the ex situ analysis, results from powder X-ray diffraction (XRD) to observe the new phase, soft X-ray absorption spectroscopy (XAS) to investigate the electronic structure, and hard X-ray photoelectron microscopy (HAXPES) with different energies (900 eV, 2000 eV, and 6000 eV) to track the chemical-state evolution of Fe-SACs in MoS 2 /SnS 2 cathodes displayed notable electrochemical reversibility involving S 8 ⇄ LiPSs ⇄ Li 2 S conversion even after 1000 cycles. Additionally, in situ, operando Raman analysis can unveil a novel catalytic mechanism of Fe-SACs in MoS 2 /SnS 2 “facilitating rapid electron transfer” during the discharge and charge processes of LSBs involving the conversion of S 8 ⇄ long-chain LiPSs ⇄ Li 2 S 2 /Li 2 S. This study elucidates the working mechanism of Fe-SAC cathodes, offering insights into overcoming the shuttle effect and facilitating sulfur redox kinetics to advance commercial LSBs.

36 MATERIALS SCIENCE↗

Unveiling the Mechanism of Mn Dissolution Through a Dynamic Cathode‐Electrolyte Interphase on LiMn2O4

Abstract Understanding the formation and evolution of the cathode‐electrolyte interphase (CEI), which forms at the interface between the cathode and electrolyte, is crucial for revealing degradation mechanisms in cathode materials, especially for developing strategies to stabilize the interphase in the strongly oxidizing conditions that evolve at high operating voltages in next‐generation Li‐ion batteries. However, The present understanding of the CEI is challenged by its complex and dynamic nature. In this work, near‐edge X‐ray absorption fine structure spectroscopy, electrochemical characterization, and reactive molecular dynamics simulations are combined to reveal a mechanism for CEI formation and evolution above model LiMn 2 O 4 (LMO) thin‐film electrodes in contact with conventional carbonate‐based electrolytes. It is found that Mn dissolution from LMO can be understood in terms of repetitive Mn 3 O 4 formation and dissolution behavior during cycling, which is closely connected to electrolyte decomposition and a key aspect of the CEI formation and growth. The behavior of the CEI in this model system offers detailed insight into the dynamic chemistry of the interphase, underscoring the important role of electrolyte composition and cathode surface structure in interphase degradation.

Ou, Wenhan↗

Unveiling X-ray absorption signatures of boron nitride via first-principles simulation and machine learning

Boron nitride (BN) allotropes hold great promise in many advanced applications ranging from optical and photonic devices to energy storage and battery systems to tribological components. The diverse functionalities of this material stem from BN’s highly tunable structural and electronic properties, which are governed by the versatile boron–nitrogen bonding configurations. Exploring the structural landscape of BN can unveil novel structures possessing unique properties suited for specific applications, therefore accelerating the design of next-generation advanced functional materials. In this work, we leverage boron K-edge X-ray absorption spectroscopy (XAS) as an effective probe for local structural features and chemical environments. A total of 210 BN crystal structures are generated via analogies to the extensive array of carbon allotropes, and XAS is simulated for each unique local motif within the resulting collection of structures. A mapping between structural features and spectral signatures was established by synergizing first-principle simulations with data-driven based post-analysis approaches. Specifically, we developed a neural network model that can satisfactorily predict spectra line shapes from local structural descriptors. Toward automatic spectroscopic interpretation of any new BN structures, supervised machine learning models, trained on this structure–spectrum dataset, can accurately infer local coordination environments from simulated XAS, highlighting the strength of this unique approach of combining high-fidelity first-principles simulation and machine-learning to accelerate target design of novel BN materials via rational understanding of local structure-spectrum correlations.

36 MATERIALS SCIENCE↗

First Differential Measurement of the Single 𝜋 + Production Cross Section in Neutrino Neutral-Current Scattering

Since its first observation in the 1970s, neutrino-induced neutral-current single positive pion production (NC⁢1⁢𝜋 + ) has remained an elusive and poorly understood interaction channel. This process is a significant background in neutrino oscillation experiments and studying it further is critical for the physics program of next-generation accelerator-based neutrino oscillation experiments. In this Letter, we present the first double-differential cross-section measurement of NC⁢1⁢𝜋 + interactions using data from the ND280 detector of the T2K experiment collected in 𝜈-beam mode. The measured flux-averaged integrated cross section is 𝜎 = (6.07 ± 1.22) × 10 −41 cm 2 /nucleon. We compare the results on a hydrocarbon target to the predictions of several neutrino interaction generators and final-state-interaction models. While model predictions agree with the differential results, the data show a weak preference for a cross-section normalization approximately 30% higher than predicted by most models studied in this Letter.

Neutrino detection↗

The XLZD Design Book: towards the next-generation liquid xenon observatory for dark matter and neutrino physics

This report describes the experimental strategy and technologies for XLZD, the next-generation xenon observatory sensitive to dark matter and neutrino physics. In the baseline design, the detector will have an active liquid xenon target of 60 tonnes, which could be increased to 80 tonnes if the market conditions for xenon are favorable. It is based on the mature liquid xenon time projection chamber technology used in current-generation experiments, LZ and XENONnT. The report discusses the baseline design and opportunities for further optimization of the individual detector components. The experiment envisaged here has the capability to explore parameter space for Weakly Interacting Massive Particle (WIMP) dark matter down to the neutrino fog, with a 3σ evidence potential for WIMP-nucleon cross sections as low as 3 x 10 –49 cm 2 (at 40 GeV/c 2 WIMP mass). The observatory will also have leading sensitivity to a wide range of alternative dark matter models. It is projected to have a 3σ observation potential of neutrinoless double beta decay of 136 Xe at a half-life of up to 5.7 x 10 27 years. Additionally, it is sensitive to astrophysical neutrinos from the sun and galactic supernovae.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Plant Characteristics, Porewater, Gas Flux, and Soil Biogeochemistry at Council Road Site Mile Marker 71, Seward Peninsula, Alaska, 2023

Data collected at Council, AK (64°51’35.0”N 163°41’59.1”W) during a summer campaign in 2023. Water data consists of soil porewater collected by centrifuging soil cores and also by field collection with porewater samplers (rhizons). Gas data consists of CO2, CH4 and N2O surface soil fluxes measured with a portable FTIR analyzer. Plant and root data consists of biomass, root length, diameter and mass. Soil data consists of total C and N. Air, water and soil samples span two main locations: a thermokarst wetland and an upland tussock. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).This dataset was generated to broadly address the following research question: how will climate change (i.e., thawing permafrost, landscape change) alter the ecosystem flux (sink versus source) of important greenhouse gases such as CO2, CH4 and N2O?Description of the contents of this data package: This dataset contains 5 different individual .csv files containing plant, soil, water and gas data. No software is needed to utilize them. PFTCover: Plant functional type ground cover in 1x1 meter plots. SoilCores: Solidphase and porewater phase soil biogeochemical variablesPlantData: Above and belowground plant traits. GasFlux: Surface plant-soil gas measurementsFieldPorewater: Field collected porewater biogeochemical variables

54 ENVIRONMENTAL SCIENCES↗

Greenhouse Rhizobox Experiment with Plant Characteristics, Porewater, Gas Flux, and Soil Biogeochemistry data, Seward Peninsula, Alaska, 2024

Data collected from a greenhouse rhizobox experiment (2024) using soils and plants collected at Council, AK (64°51’35.0”N 163°41’59.1”W) during a summer campaign in 2023. Water data consists of soil porewater collected by porewater samplers (rhizons). Gas data consists of CO2 and CH4 surface soil fluxes measured with an FTIR (Fourier-transformed infrared red) analyzer. Plant and root data consists of biomass, root length. This study is a part of The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).This dataset was generated to broadly address the following research question: how will climate change (i.e., thawing permafrost, landscape change) alter the ecosystem flux (sink versus source) of important greenhouse gases such as CO2 and CH4?Description of the contents of this data package: Rhizobox2024_Data.csv: This dataset contains plant, water and gas data. No software is needed to utilize them.nga535_flmd.csv: The file contains file level metadatanga535.dd.csv: This file contains the data dictionaryMethods.pdf: This file contains the data collection methods

54 ENVIRONMENTAL SCIENCES↗

Maps of growing season gross primary production and net ecosystem exchange for Council Road Mile Marker 71, Seward Peninsula, Alaska, [2017-2023]

This data archive is in support of the Next-Generation Ecosystem Experiments in the Arctic (NGEE Arctic) publication "Integrating Characteristic Arctic Vegetation in a Land Surface Model Improves Representation of Carbon Dynamics Across a Tundra Landscape", by Murphy et al. (2025a). Murphy et al. (2025a) evaluated whether incorporating observed Arctic vegetation heterogeneity into ELM, the land model of the Department of Energy’s Energy Exascale Earth System Model (E3SM), improved simulations of tundra carbon cycling. The associated model archive can be found at Murphy et al. (2025b). The study focused on the spatial patterns and net landscape-level growing season productivity and carbon uptake. As part of this evaluation, observationally derived maps of average growing season (June–August) net ecosystem exchange (NEE) and gross primary production (GPP) were developed for the same domain. These maps, which form the dataset described here, integrate eddy covariance flux tower, remote sensing, and vegetation community data to provide spatially explicit benchmarks for model evaluation. The maps provide spatially explicit estimates of average growing season NEE and GPP across 13 tundra vegetation communities within the study domain. By combining flux tower observations with Airborne Visible-Infrared Imaging Spectrometer-Next Generation (AVIRIS-NG) hyperspectral imagery and drone-based normalized difference vegetation index (NDVI), these maps capture the heterogeneity of carbon fluxes associated with different Arctic vegetation types. While they represent average seasonal conditions rather than interannual variability, the maps provide a unique dataset for evaluating model performance, comparing vegetation community contributions to landscape-scale carbon cycling, and supporting regional analyses of Arctic carbon dynamics. This data archive contains 5 m resolution maps of vegetation communities, vegetation community average growing season GPP, and vegetation community average growing season NEE (three *.tif files), a User’s Guide (*pdf file), and Table 1 of the User’s Guide displaying vegetation community coverage and average growing season NEE and GPP values (*.csv file).

Murphy, Bailey [ORNL] (ORCID:0000000203995221)↗

Terrestrial laser scanning data (Levels 0 and 1) for Pasoh, Malaysia, Sep 2024

This data package contains data from terrestrial laser scanning (TLS) at the Pasoh Forest Reserve, Malaysia. The Pasoh Forest Reserve is a facility of the Forest Research Institute Malaysia, and contains evergreen lowland dipterocarp forest. The Next-Generation Ecosystem Experiments Tropics (NGEE-Tropics) study areas at Pasoh were established to study how different species respond to climatic variation and soil water availability. Two study areas were chosen representing different topography and species. The TLS data archived here were collected to provide detailed, three-dimensional information about forest structure. Specifically, data were collected to allow tree-level characterization of woody structure and leaf area for 12 focal trees with FloraPulse and sap flux sensors, facilitating estimation of woody biomass and leaf area to allow upscaling of water content and transpiration data to the tree-level. Scan positions were not selected to provide consistent data for non-focal trees with the study areas. This data package contains the following data: - High-level files document further details of the campaign and data package: 1_CampaignSummary.csv provides details about the campaign and study site, 2_ScanAreasDetail.csv provides details about each separate scan area (groups of scans post-processed into a single point cloud), 3_TerrestrialLidarSensor.csv provides further technical details about the Riegl VZ-400i TLS sensor, TLS_CSV_dd.csv is a CSV Data Dictionary providing information about the fields in CSV files following the ESS-DIVE CSV File Formatting Guidelines Reporting Format, TLS_flmd.csv is a File Level Metadata file providing information about each file in the data package following the ESS-DIVE File Level Metadata Reporting Format, and README.txt is a text file describing the overall project and file structure. - Level 0 data are the raw data (.PROJ folders) as recorded by the Riegl VZ-400i TLS instrument before scan co-registration and post-processing with the Riegl's proprietary RiSCAN PRO software, which requires a license. - Level 1 data contain post-processed, co-registered data from each scan area. The "PointClouds" folder for each scan area contains a .las file with 1 cm resolution point cloud data exported from RiSCAN PRO. These are the main files likely to be of interest to most users and can be further processed with any software capable of manipulating .las files (e.g. Python, R CloudCompare). The "Project Information" folder contains log files from post-processing in RiSCAN PRO that may be of interest to users who want to see detailed records of post-processing, including all PDF reports generated by RiSCAN PRO. The "ScanPositions" folder contains information about the final position of all TLS scans, after post-processing, in multiple formats. The file ScanPositions_*.csv provides final geo-referenced scan positions, and the file SOP_backup_*.csv can be used in RiSCAN PRO to restore the co-registered scan positions if users wish to re-process raw data (Level 0 .PROJ folders) with RiSCAN PRO software (e.g., subsample to a different resolution, exclude a certain scan position, or apply different filters on reflectance or deviation values) without redoing time-consuming co-registration steps.

54 ENVIRONMENTAL SCIENCES↗

Elucidating the Morphological Instability Mechanisms During Electrodeposition of Active Metals

The primary aim of this investigation is to elucidate the mechanisms by which a group of metals pertinent to battery technology exhibit unstable growth morphology during electrodeposition, which are crucial for the operational efficacy of batteries. The metals under consideration include alkali metals alongside zinc, all of which are characterized by high atomic mobility and reactivity with the electrolytes employed in battery systems. These materials represent promising electrode candidates for next-generation rechargeable batteries that are anticipated to deliver significantly enhanced energy density at a reduced cost. Nevertheless, the widespread occurrence of distinctly non-uniform morphologies, exemplified by the emergence of filamentous and moss-like structures, constitutes a significant impediment to their effective utilization, as it leads to accelerated capacity degradation and potential internal short circuits. This study addresses a critical question that has thus far garnered limited attention: Does the residual stress induced by the plating process play an instrumental role in inducing the morphological instability? Utilizing zinc as the primary model system, this project will be executed through three interconnected tasks: (1) the quantification of the relationship between plating stress and electroplating morphologies, (2) the three-dimensional imaging of the microstructure of the mossy structure at the nanoscale, and (3) the development of a mesoscale electroplating model to interpret empirical findings and generate additional predictive insights.

25 ENERGY STORAGE↗

Fractionation of Filamentous Algae from Mixed Biofilms

Filamentous algae, which grow in long, hair-like filaments within biofilms, play a crucial role in wastewater treatment due to their ability to produce significant biomass and their resistance to predation compared to traditional microalgal treatments. These algae can effectively uptake and utilize pollutants, particularly excessive nitrogen (ammonia, nitrate, nitrite) and phosphorus (phosphate), making filamentous algae valuable for wastewater treatment, as well as bioethanol and biodiesel production due to high lipid productions. However, each algal species possesses different capacities, necessitating a thorough genetic identification and understanding of each community. A major challenge in accurately assessing these communities is the lack of coverage in large sequencing databases which can lead to misrepresentation of the true composition and abundance of organisms and overall sequencing bias. To address this, I evaluated chemical and physical techniques for separating filamentous algae from mixed biofilms to achieve clean genetic sequencing results. I employed pH washing (0.001M HCl, 0.001M HCl, DiH2O, 0.0001M HCl, 0.001M HCl) for chemical treatment, followed by physical separation through centrifugation (5000rpm, 6500rpm) or filtration (2mm, 250um, 75um). The most successful method was deionized water washing, which yielded clear differences across stacked filters; the 2mm filtrate showed high levels of filamentous algae, with microalgae eluting in the 75um filtrate or remaining within agglutinations of algae larger filters. Base washing eluted the highest concentrations of microalgae, with larger filter sizes retaining more filamentous algae, indicating the breakdown of extracellular polymeric substances (EPS). Our downstream plans include sending the high-throughput next-generation sequencing to confirm the purity and ratios of filamentous and non-filamentous algae, as well as bacteria present, thereby validating the success of our treatments. Potential applications include creating community-based fractions for analysis, refining current sequencing data with clearer isolations, and generating designer biofilms to enhance our understanding of community interactions.

59 BASIC BIOLOGICAL SCIENCES↗

Rapid Electrochemical Carburization of Mild Steel

Next-generation iron production generates iron with 0 wt.% C, in contrast to contemporary blast furnace production of iron with 1 - 5 wt.% C. This makes new iron feedstocks difficult to use as a drop-in replacement in current steelmaking. We report results of an emissions-negative approach of carburizing iron or mild steel using molten salt electrochemistry and CO2. Electrochemical carburization of mild steel via molten carbonate salt electrolyte and CO2 bubbling shows rapid carbide development tunable by applied electric potential. Mild steel rods, serving as the cathode, show pearlite development at the surface after exposure to applied voltage in a LiKCO3 molten carbonate salt bath at 715 degrees C. The thickness of the pearlitic layer could be varied by changing the applied potential, with a strong difference in microstructure observed between an applied potential of -1.8 V and -2.4 V. This rapid carburization has multiple applications for enhancing steel production by upgrading the carbon content of low-carbon feedstocks.

36 MATERIALS SCIENCE↗

Integrating Carbon Capture, Utilization, & Sequestration into Chemical Pulp Mills

The U.S. pulp and paper industry presents a unique and largely untapped opportunity for large- scale carbon dioxide removal (CDR). Unlike most industrial sectors, pulp mills rely heavily on biomass, meaning that much of their carbon emissions originate from atmospheric CO₂ that was recently captured by plants. If this biogenic CO₂ can be captured and permanently stored, pulp mills can be transformed from carbon emitters into net carbon removal facilities. This project was motivated by that opportunity and aimed to develop and evaluate integrated, low-cost strategies for capturing, utilizing, and sequestering CO₂ within existing chemical pulping operations. The scope of this work focused on four complementary innovations designed to integrate seamlessly into kraft pulp mill infrastructure: (1) in situ CO₂ capture within the recovery cycle, (2) oxy-fuel retrofitting of the rotary lime kiln to produce a high-purity CO₂ stream, (3) ex situ CO₂ capture and mineralization using pulp mill residues (dregs, grits, and lime mud), and (4) beneficial reuse of these residues as mineral carbonate fertilizers. The project combined process modeling, laboratory experimentation, life cycle assessment (LCA), and field trials to evaluate the technical feasibility, economic viability, and environmental impact of these approaches. The results demonstrate that pulp mills can serve as effective platforms for carbon removal when equipped with integrated carbon capture systems. Process modeling showed that combining sodium spiking with oxy-fuel calcination significantly enhances CO₂ capture efficiency while reducing costs by up to 31% compared to conventional configurations. Experimental work further revealed that calcination behavior in high-CO₂ environments differs substantially from traditional systems, leading to the development of a new kinetic model that predicts reaction rates under these conditions. This model provides essential design guidance for next-generation decarbonized lime kilns. In parallel, the project demonstrated that alkaline mineral residues generated during pulping operations can be repurposed as a sustainable alternative to agricultural lime. Across a wide range of soils in the southeastern United States, these materials performed equivalently to commercial lime in adjusting soil pH while offering lower greenhouse gas emissions and reduced cost. Field and greenhouse studies confirmed that crop and tree growth responses were comparable, supporting their viability as a drop-in replacement. This co-product pathway provides a practical utilization strategy that offsets costs and improves overall system economics. A major contribution of this project is the first comprehensive life cycle assessment of carbon removal in pulp and paper systems across multiple system boundaries. Results show that retrofitted mills can achieve carbon removal efficiencies ranging from 12% to 92%, depending on how the system is defined. This finding highlights a critical issue in carbon accounting: reported performance is highly sensitive to methodological choices. By explicitly quantifying these differences, this work provides valuable guidance for policymakers, carbon registries, and project developers working to standardize carbon removal metrics. From a commercialization perspective, the technologies investigated in this project are well- aligned with existing industrial infrastructure, minimizing the need for entirely new facilities. 3 DE-EE0009413 Industry engagement throughout the project—including collaboration with pulp and paper companies, equipment manufacturers, and carbon removal developers—has accelerated the transition from research to deployment. Notably, a commercial developer is actively pursuing carbon capture projects at pulp mills in the southeastern United States and has cited this research as a contributing foundation. The emergence of voluntary carbon markets and long-term offtake agreements further strengthens the business case for implementation. The broader public benefits of this work are significant. By enabling large-scale carbon removal using existing industrial systems, this approach offers a near-term pathway to reduce atmospheric CO₂ concentrations while supporting domestic manufacturing and rural economies. The reuse of industrial residues as fertilizers reduces reliance on mined materials, lowers costs for farmers, and decreases environmental impacts associated with conventional lime production. In addition, the project has supported workforce development by training graduate students and researchers in carbon capture technologies, helping to build capacity in a critical area of national interest. In conclusion, this project demonstrates that integrated carbon capture, utilization, and sequestration in pulp mills is both technically feasible and economically promising. By combining process innovation, experimental validation, and systems-level analysis, the work advances the understanding of how biomass-based industries can contribute to climate mitigation. The findings provide a strong foundation for commercial deployment and offer a scalable solution for transforming a major U.S. industry into a source of durable carbon removal.

09 BIOMASS FUELS↗

High-Order Methods in NASA’s Next Generation of Computational Fluid Dynamics Tools

The missions of the National Aeronautics and Space Administration (NASA) routinely produce unique requirements and challenges for development and application of Computational Fluid Dynamics (CFD) methods. NASA presently embodies four distinct Mission Directorates: Aeronautics Research, Exploration Systems, Science, and Space Operations. These missions generate requirements for systems that operate in a wide variety of environments. They range from the high-speed flight of aerodynamically optimized vehicles operating in the earth’s atmosphere to spacecraft designed for missions that don’t favor aerodynamic optimization, some operating in the atmosphere of planets and planetary moons such as Mars and Venus or Saturn’s moon Titan. Systems supporting these vehicles, such as rocket and jet propulsion, reaction control systems, fluid and thermal transfer systems, etc. can also generate their own unique set of flow phenomena that challenge today’s CFD methodology. Through the NASA Engineering and Safety Center (NESC), NASA annually conducts state-of-the-discipline assessments in fifteen distinct engineering disciplines. These assessments are performed by the NASA Technical Fellows that lead Technical Discipline Teams (TDT) of recognized experts in these fifteen areas. In the Aerosciences discipline, three topics have been identified as the top challenges for the discipline: aero-plume interaction prediction, unsteady separated flows, and aerothermodynamic prediction. These challenge areas are defined by the Agency’s high-risk projects and problems on which the NESC is requested to perform independent testing, analysis, and assessments. When viewed as a whole, these tests, analyses, and assessments provide a clear view of the recurring technical challenges facing Agency engineers and researchers and can be used to guide future research and technology development. The present state-of-the-art in the application of CFD at NASA is the use of Reynolds-Averaged Navier- Stokes (RANS) solvers, primarily executed in a steady-state mode of operation. In isolated cases, Unsteady RANS (URANS) solvers have been employed when steady RANS solutions produce poorly converging or oscillating results or in cases, such as aeroelastic analysis, which require unsteady aerodynamic simulation. For most traditional external and internal aerodynamic flows, structured overset grids or unstructured grids are employed to minimize geometric modeling and grid generation times. Grid adaptation, primarily as a series of coarse-grain intermediate processing steps is also seeing use on particularly complex flow problems and configurations. In the case of aerothermodynamic flows, engineers have been forced to continue to employ structured grid techniques as the present unstructured grid methodology has proven inadequate in the prediction of surface heating. In the area of aero-plume interaction modeling, two-gas, frozen chemistry simulation is generally the state-of-the- art, with some production solvers capable of predicting flows with only a single gas component. Prediction of flows falling into the afore-mentioned top Aerosciences technical challenges have severely stressed the present state-of-the-art in CFD prediction and for some problems, such as unsteady separated flows and aero-plume interaction cases, engineers have begun employing Large Eddy Simulation (LES) and Hybrid RANS/LES techniques. In some isolated aero-propulsion interaction cases, chemically reacting flow simulations have been applied. These methods are highly evolutionary and engineers have little experience in their application, so they cannot be heavily relied upon in today’s application environment. Therefore, this leads one to muse over which numerical technologies will be included in the CFD tools that will be employed 30 years in the future. This presentation will describe specific technical problems that have stressed NASA’s traditional CFD methods to their breaking point and will link these issues to the Agency’s top Aerosciences technical challenges. The discussion will then shift to the characteristics of future CFD solvers that will be required to attack these challenges and how these characteristics differ from the present state-of-the- art. High-order methods certainly appear to have a place in the development of future CFD tools and some of the physical characteristics of our most challenging problems suggest that high-order methods are the only way to effectively solve them. But there are some relatively severe implementation issues that face these methods, particularly in the area of general applicability and robust operation as an engineering tool. Desired characteristics of next-generation CFD solvers will be discussed and the author’s view of which emerging numerical technologies might be employed to address these attributes will also be presented

David M Schuster↗

Expanding the physics reach of DUNE in the near and far detectors

The Deep Underground Neutrino Experiment (DUNE) is a next-generation long-baseline neutrino oscillation experiment. Its primary goal is the determination of the neutrino mass hierarchy and the CP-violating phase. The DUNE physics programme also includes the detection of astrophysical neutrinos and the search for beyond the Standard Model (BSM) phenomena. DUNE will consist of a near detector (ND) complex placed at Fermilab, and a modular Liquid Argon Time Projection Chamber (LArTPC) far detector (FD) to be built in the Sanford Underground Research Facility (SURF), approximately 1300 km away from the neutrino production point. This thesis describes three different projects within DUNE. First, a novel strategy to improve the triggering capabilities of the DUNE FD is proposed. It uses matched filters to enhance the production of online hits across all charge collection planes. Next, the possibility of detecting neutrinos coming from dark matter (DM) annihilations in the Sun with the FD is explored. The complementarity of DUNE to this kind of DM searches is shown. Finally, the simulation and reconstruction framework of ND-GAr, the gas argon ND proposed for Phase II of DUNE, is presented. A number of additions to this are described, particularly focused on the development of the particle identification (PID) capabilities of the detector. These are then used to perform the first event selection studies with an end-to-end simulation in ND-GAr, in particular the selection of pion exclusive samples in $\nu_{\mu}$ CC interactions. All three of these projects share the common goal of enhancing the physics programme of DUNE.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Advanced Manufactured Strain Sensors for Extreme Environments

Experimentation at irradiation test facilities are essential for reducing the innovation time of developmental fuels, fuel cladding, and structural materials employed in next-generation nuclear reactors. However, due to the harsh conditions generated in such reactors and limited instrumentation space, the evaluation of a material’s mechanical properties is often limited to characterization after the materials have been removed from reactor conditions, or post-irradiation examination. These experiments are costly, time-consuming, and fail to capture the critical time-evolving phenomena that occur during the irradiation experiments. Advanced manufactured digital image correlation patterns and strain sensor devices serve as two promising technologies that can be deployed in the confined and challenging orientations of these irradiation experiments while also providing key insight on salient materials phenomena (i.e., mechanical properties). To guide the development of the printed strain sensors prior to their deployment in critical experiments, the adhesion strength between the substrate and printed film interface is measured via tensile testing and a non-contact laser-induced spallation technique. The establishment of these process control steps helped guide the successful fabrication and testing of direct-write strain sensing devices discussed in this work. The fabrication process controls are necessary for enabling the sustained operation of these strain sensing device through experimentation and minimize the potential for premature failure.

36 - MATERIALS SCIENCE↗