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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Functionalized benzylamines from commercial kraft lignin

Benzylamines are key intermediates in pharmaceuticals, agrochemicals, and polymers, but their conventional production relies on benzyl chloride - a petroleum-derived compound with high toxicity and energy demands. Lignin, accounting for up to 30% of plant biomass, is the largest renewable source of aromatic carbon on Earth. However, its highly complex and recalcitrant structure poses a major barrier to efficient conversion into high-value chemicals. Here, in this study, we developed a catalytic approach to convert commercial kraft lignin into phenolic benzylamines through selective depolymerization and subsequent functionalization. We systematically evaluated the effects of three alcohol solvents, formic acid (FA), and a ruthenium-on‑carbon (Ru/C) catalyst on monophenol yield and selectivity. Up to 6.5 wt% monophenol yield was achieved using methanol (MeOH), FA, and Ru/C at 300 °C for 2 h. Quantum thermodynamic simulations based on the COSMO-RS model confirmed the superior solvation and reactivity of the MeOH + FA system, rationalizing observed product yield. The purified monophenolic products, primarily guaiacol and alkyl guaiacols, were then converted into functionalized benzylamines with >90% yield via a multicomponent Mannich reaction under mild conditions. Techno economic analysis (TEA) and life cycle assessment (LCA) underscore the importance of improving lignin depolymerization yields and expanding biorefinery scale. Solvent-only configurations outperform other options in both cost and emissions, with the methanol-only case performing the best ($\$$105 /kg and 26 kg CO 2e /kg) at a large-scale facility. This study establishes a scalable, bio-based pathway for producing benzylamines from commercial kraft lignin, advancing lignin valorization and offering a sustainable alternative to produce petrochemical-based benzylamines.

Catalytic reduction↗
DOE OSTI2023

An investigation of fracture behaviors of NBG-18 nuclear graphite using in situ mechanical testing coupled with micro-CT

Nuclear graphite contains defects spanning from nanoscale basal cracks to sub-mm scale voids. This study aims to establish an experimental method to investigate pre-existing defects and 3-D crack growth inside nuclear graphite, NBG-18. Three-point bending tests were performed on single-edge notched beam specimens with and without coupling with micro-CT. The fracture toughness was measured to be 1.17 ± 0.06 MPa $\sqrt{{m}}$. Cracks were observed to initiate from the pores and thermal cracks on the edge of the notch and then defect or twist to grow along the pre-existing defects. Crack bridging, defection, and twisting were the primary toughening mechanisms. The crack resistance curve exhibited a trend of rising-plateau-rising that can be related to the interaction of crack front and the pre-existing defects. In conclusion, the results highlight the capability of laboratory micro-CT-based experimental method for the visualization of multi-scale defect interactions, which remains to be a challenge in the characterization of nuclear graphite.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Experimental observations of detached bow shock formation in the interaction of a laser-produced plasma with a magnetized obstacle

The magnetic field produced by planets with active dynamos, like the Earth, can exert sufficient pressure to oppose supersonic stellar wind plasmas, leading to the formation of a standing bow shock upstream of the magnetopause, or pressure-balance surface. Scaled laboratory experiments studying the interaction of an inflowing solar wind analog with a strong, external magnetic field are a promising new way to study magnetospheric physics and to complement existing models, although reaching regimes favorable for magnetized shock formation is experimentally challenging. This paper presents experimental evidence of the formation of a magnetized bow shock in the interaction of a supersonic, super-Alfvenic plasma with a strongly magnetized obstacle at the OMEGA laser facility. The solar wind analog is generated by the collision and subsequent expansion of two counterpropagating, laser-driven plasma plumes. The magnetized obstacle is a thin wire, driven with strong electrical currents. Hydrodynamic simulations using the FLASH code predict that the colliding plasma source meets the criteria for bow shock formation. Spatially resolved, optical Thomson scattering measures the electron number density, and optical emission lines provide a measurement of the plasma temperature, from which we infer the presence of a fast magnetosonic shock far upstream of the obstacle. Proton images provide a measure of large-scale features in the magnetic field topology, and reconstructed path-integrated magnetic field maps from these images suggest the formation of a bow shock upstream of the wire and as a transient magnetopause. Finally, we compare features in the reconstructed fields to two-dimensional MHD simulations of the system.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Modeling the role of lateral surface flow in low‐relief polygonal tundra

Abstract Ice‐wedge polygon troughs play an important role in controlling the hydrology of low‐relief polygonal tundra regions. Lateral surface flow is confined to troughs only, but it is often neglected in model projections of permafrost thermal hydrology. Recent field and modeling studies have shown that, after rain events, increases in trough water levels are significantly more than the observed precipitation, highlighting the role of lateral surface flow in the polygonal tundra. Therefore, understanding how trough lateral surface flow can influence polygonal tundra thermal hydrology is important, especially under projected changes in temperatures and rainfall in the Arctic regions. Using an integrated cryohydrology model, this study presents plot‐scale end‐of‐century projections of ice‐wedge polygon water budget components and active layer thickness with and without trough lateral surface flow under the Representative Concentration Pathway 8.5 scenario. Trough lateral surface flow is incorporated through a newly developed empirical model, evaluated against field measurements. The numerical scenario that includes trough lateral surface flow simulates discharge (outflow from a polygon) and recharge (rain‐induced inflow to a polygon trough from upslope areas), while the scenario that does not include trough lateral surface flow ignores recharge. The results show considerable reduction (about 100–150%) in evapotranspiration and discharge in rainy years in the scenarios ignoring trough lateral surface flow, but less effect on soil water storage, in comparison with the scenario with trough lateral surface flow. In addition, the results demonstrate long‐term changes (~10–15 cm increase) in active layer thickness when trough lateral surface flow is modeled. This study highlights the importance of including lateral surface flow processes to better understand the long‐term thermal and hydrological changes in low‐relief polygonal tundra regions under a changing climate.

Jan, Ahmad↗
DOE OSTI2022

Experimental observations of detached bow shock formation in the interaction of a laser-produced plasma with a magnetized obstacle

The magnetic field produced by planets with active dynamos, like the Earth, can exert sufficient pressure to oppose supersonic stellar wind plasmas, leading to the formation of a standing bow shock upstream of the magnetopause, or pressure-balance surface. Scaled laboratory experiments studying the interaction of an inflowing solar wind analog with a strong, external magnetic field are a promising new way to study magnetospheric physics and to complement existing models, although reaching regimes favorable for magnetized shock formation is experimentally challenging. This paper presents experimental evidence of the formation of a magnetized bow shock in the interaction of a supersonic, super-Alfvenic plasma with a strongly magnetized obstacle at the OMEGA laser facility. The solar wind analog is generated by the collision and subsequent expansion of two counter- propagating, laser-driven plasma plumes. The magnetized obstacle is a thin wire, driven with strong electrical currents. Hydrodynamic simulations using the FLASH code predict that the colliding plasma source meets the criteria for bow shock formation. Spatially resolved, optical Thomson scat- tering measures the electron number density, and optical emission lines provide a measurement of the plasma temperature, from which we infer the presence of a fast magnetosonic shock far upstream of the obstacle. Proton images provide a measure of large-scale features in the magnetic field topology, and reconstructed path-integrated magnetic field maps from these images suggest the formation of a bow shock upstream of the wire and as a transient magnetopause. We compare features in the reconstructed fields to two-dimensional MHD simulations of the system.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

The Imperial Valley Dark Fiber Project: Toward Seismic Studies Using DAS and Telecom Infrastructure for Geothermal Applications

We report that the Imperial Valley is a seismically active basin occupying the southern end of the Salton trough, an area of rapid extension, high heat flow, and abundant geothermal resources. This report describes an ongoing large-scale distributed acoustic sensing (DAS) recording study acquiring high-density seismic data on an array between Calipatria and Imperial, California. This 27 km array, operating on dark fiber since 9 November 2020, has recorded a wealth of local seismic events as well as ambient noise. The goal of the broader Imperial Valley Dark Fiber project is to evaluate passive DAS as a tool for geothermal exploration and monitoring. This report is intended to provide installation information, noise characteristics, and metadata for future studies utilizing the data set. Because of the relatively small number of basin-scale DAS studies that have been conducted to date, we also provide a range of lessons learned during the deployment to assist future researchers exploring this acquisition strategy.

15 GEOTHERMAL ENERGY↗
DOE OSTI2020

Wavelet-based local mesh refinement for rainfall–runoff simulations

A wavelet-based local mesh refinement (wLMR) strategy is designed to generate multiresolution and unstructured triangular meshes from real digital elevation model (DEM) data for efficient hydrological simulations at the catchment scale. The wLMR strategy is studied considering slope- and curvature-based refinement criteria to analyze DEM inputs: the slope-based criterion uses bed elevation data as input to the wLMR strategy, whereas the curvature-based criterion feeds the bed slope data into it. The performance of the wLMR meshes generated by these two criteria is compared for hydrological simulations; first, using three analytical tests with the systematic variation in topography types and then by reproducing laboratory- and real-scale case studies. The bed elevation on the wLMR meshes and their simulation results are compared relative to those achieved on the finest uniform mesh. Repeated analytical tests show that the slope- and curvature-based criteria are equally effective with the wLMR strategy, and that it is easier to decide which criterion to take in relation to the (regular) shape of the topography. For the realistic case studies: (i) slope analysis provides a better metric to assess the correlation of a wLMR mesh to the fine uniform mesh and (ii) both criteria predict outlet hydrographs with a close predictive accuracy to that on the uniform mesh, but the curvature-based criterion is found to slightly better capture the channeling patterns of real DEM data.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Hot Electron Scaling and Energy Coupling In Nonlinear Laser Plasma Interactions

Energy conversion from high power lasers to energetic hot electrons is a fundamental phenomenon in laser-plasma interactions. At laser intensities above a few times 10 14 W/cm 2 , nonlinear laser-plasma interactions lead to the generation of hot electrons with a broad energy distribution at typical temperatures of 10’s – 100’s kilo-electron-volt (keV). The fraction of laser energy transferred to hot electrons, their energy distribution and energy coupling efficiency to the targets are strongly affected by the laser intensity, wavelength and the plasma condition. Most investigations to date that are related to the fusion of high-energy-density laboratory plasmas (HEDLP) are carried out with relatively moderate laser intensity and lower laser wavelength to minimize hot electron generation, as electron preheating can degrade the fuel assembly. An alternative fusion scheme known as shock ignition (SI) has been proposed, requiring a high intensity spike pulse at the end of a fuel assembly phase to generate a strong shock to ignite the fuel. An initial shock pressure of 0.3 Gbar is required for ignition-scale targets using the SI scheme, requiring a relatively high on-target laser intensity of 5-10X10 15 W/cm 2 for the spike pulse. At such intensities, copious hot electrons can be produced by laser-plasma-instabilities (LPI), e.g., Stimulated Raman Scattering (SRS) and Two-Plasmon Decay (TPD). While very energetic electrons (>200 keV) could preheat the fuel, electrons with moderate energies may actually be beneficial for the SI scheme. Electrons in the 50-100 keV range can be stopped in the compressed high-density outer ablator layer leading to an increase in the ignitor shock strength and therefore enhancing overall efficiency in the SI scheme. Considering this importance of total energy and temperature of hot electrons, it is necessary to understand the LPI in the SI high intensity regime. Characterizing the hot electron source and energy coupling is key to investigating the viability of the SI concept. The overall goal of the HEDLP award was to perform a detailed study of the scaling of hot electron generation and energy coupling on high power laser systems, with intensity, wavelength, and target ablator material relevant to the nonlinear laser-plasma interaction at SI relevant conditions. This was a collaborative project between the Center for Energy Research at the University of California, San Diego (UCSD) and General Atomics. The experiment was performed at the Omega Laser Facility at the Laboratory for Laser Energetics (LLE) in the University of Rochester. Specific objectives of the work were to: understand the basic physics of laser-plasma interactions and instabilities at high laser intensities (up to 10 17 W/cm 2 ) and the effects of low-Z ablator materials and laser wavelengths (IR pulse at 1.054 µm versus UV pulse at 0.351 µm) and intensity scaling, fully characterize the resultant hot electron energy distribution, validate hot electron energy deposition via collisional and kinetic processes in the target and the induced shocks in support of electron-assisted SI concept.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Temporal dynamics of large-scale structures for turbulent Rayleigh–Bénard convection in a moderate aspect-ratio cylinder

We investigate the spatial organization and temporal dynamics of large-scale, coherent structures in turbulent Rayleigh–Bénard convection via direct numerical simulation of a 6.3 aspect-ratio cylinder with Rayleigh and Prandtl numbers of 9.6×10 7 and 6.7, respectively. Fourier modal decomposition is performed to investigate the structural organization of the coherent turbulent motions by analysing the length scales, time scales and the underlying dynamical processes that are ultimately responsible for the large-scale structure formation and evolution. We observe a high level of rotational symmetry in the large-scale structure in this study and that the structure is well described by the first four azimuthal Fourier modes. Two different large-scale organizations are observed during the duration of the simulation and these patterns are dominated spatially and energetically by azimuthal Fourier modes with frequencies of 2 and 3. Studies of the transition between these two large-scale patterns, radial and vertical variations in the azimuthal energy spectra, as well as the spatial and modal variations in the system's correlation time are conducted. Rotational dynamics are observed for individual Fourier modes and the global structure with strong similarities to the dynamics that have been reported for unit aspect-ratio domains in prior works. It is shown that the large-scale structures have very long correlation time scales, on the order of hundreds to thousands of free-fall time units, and that they are the primary source for a horizontal inhomogeneity within the system that can be observed during a finite, but a very long-time simulation or experiment.

42 ENGINEERING↗
DOE OSTI2020

The Potential Impact of Offshore Wind Energy on a Future Power System in the U.S. Northeast

This study aims to understand and quantify the potential impact of offshore wind on a future electricity system in the U.S. Northeast. In this analysis, a detailed representation of the Northeast power system is adopted, using a generation portfolio for 2024 paired with offshore wind nameplate capacities of 0 gigawatts (GW), 2 GW, and 7 GW. The analysis identifies points of offshore wind interconnection in the ISO-New England and New York Independent System Operator control areas and uses hourly wind profiles from the Wind Integration National Dataset Toolkit. Hourly simulations of the 2024 power system operations show an ability to accommodate the prescribed offshore wind capacities by adapting the system's generation dispatch. Curtailment levels of offshore wind range between 4% and 5%. Offshore wind generation displaces primarily natural-gas combined-cycle generation; however, requires increased flexibility from combined cycles through more frequent start-ups. The number of hours with transmission congestion increases because of offshore wind injection, with varying impact on a subregional level. Offshore wind's capacity credit was found to be 14.5%-28.3% and is lower than estimated in other large-scale power system studies, in part because this study considered a different weather year and a power system representation with higher shares of solar PV and onshore wind. The reliability contribution of resources is a topic area identified for more research and collaboration. The 7-GW scenario shows a reduction in locational marginal price of 11%, with production cost savings of up to 18% compared to the 0-GW scenario.

17 WIND ENERGY↗
DOE OSTI2020

Multi-Scale Microfluidics for Transport in Shale Fabric

We develop a microfluidic experimental platform to study solute transport in multi-scale fracture networks with a disparity of spatial scales ranging between two and five orders of magnitude. Using the experimental scaling relationship observed in Marcellus shales between fracture aperture and frequency, the microfluidic design of the fracture network spans all length scales from the micron (1 μ) to the dm (10 dm). This intentional `tyranny of scales’ in the design, a determining feature of shale fabric, introduces unique complexities during microchip fabrication, microfluidic flow-through experiments, imaging, data acquisition and interpretation. Here, we establish best practices to achieve a reliable experimental protocol, critical for reproducible studies involving multi-scale physical micromodels spanning from the Darcy- to the pore-scale (dm to μm). With this protocol, two fracture networks are created: a macrofracture network with fracture apertures between 5 and 500 μm and a microfracture network with fracture apertures between 1 and 500 μm. The latter includes the addition of 1 μm ‘microfractures’, at a bearing of 55°, to the backbone of the former. Comparative analysis of the breakthrough curves measured at corresponding locations along primary, secondary and tertiary fractures in both models allows one to assess the scale and the conditions at which microfractures may impact passive transport.

58 GEOSCIENCES↗
DOE OSTI2020

An evaluation of global organic aerosol schemes using airborne observations

Chemical transport models have historically struggled to accurately simulate the magnitude and variability of observed organic aerosol (OA), with previous studies demonstrating that models significantly underestimate observed concentrations in the troposphere. In this study, we explore two different model OA schemes within the standard GEOS-Chem chemical transport model and evaluate the simulations against a suite of 15 globally distributed airborne campaigns from 2008 to 2017, primarily in the spring and summer seasons. These include the ATom, KORUS-AQ, GoAmazon,FRAPPE, SEAC4RS, SENEX, DC3, CalNex, OP3, EUCAARI, ARCTAS and ARCPAC campaigns and provide broad coverage over a diverse set of atmospheric composition regimes – anthropogenic, biogenic, pyrogenic and remote. The schemes include significant differences in their treatment of the primary and secondary components of OA – a “simple scheme” that models primary OA (POA) as non-volatile and takes a fixed-yield approach to secondary OA (SOA) formation and a “complex scheme” that simulates POA as semi-volatile and uses a more sophisticated volatility basis set approach for non-isoprene SOA, with an explicit aqueous uptake mechanism to model isoprene SOA. Despite these substantial differences, both the simple and complex schemes perform comparably across the aggregate dataset in their ability to capture the observed variability (with an R2 of 0.41 and 0.44, respectively). The simple scheme displays greater skill in minimizing the overall model bias (with a normalized mean bias of 0.04 compared to 0.30 for the complex scheme). Across both schemes, the model skill in reproducing observed OA is superior to previous model evaluations and approaches the fidelity of the sulfate simulation within the GEOS-Chem model. However,there are significant differences in model performance across different chemical source regimes, classified here into seven categories.Higher-resolution nested regional simulations indicate that model resolution is an important factor in capturing variability in highly localized campaigns, while also demonstrating the importance of well-constrained emissions inventories and local meteorology, particularly over Asia. Our analysis suggests that a semi-volatile treatment of POA is superior to anon-volatile treatment. It is also likely that the complex scheme parameterization overestimates biogenic SOA at the global scale. While this study identifies factors within the SOA schemes that likely contribute to OA model bias (such as a strong dependency of the bias in the complex scheme on relative humidity and sulfate concentrations), comparisons with the skill of the sulfate aerosol scheme in GEOS-Chem indicate the importance of other drivers of bias, such as emissions, transport and deposition, that are exogenous to the OA chemical scheme.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

CLAIRE—Parallelized Diffeomorphic Image Registration for Large-Scale Biomedical Imaging Applications

We study the performance of CLAIRE—a diffeomorphic multi-node, multi-GPU image-registration algorithm and software—in large-scale biomedical imaging applications with billions of voxels. At such resolutions, most existing software packages for diffeomorphic image registration are prohibitively expensive. As a result, practitioners first significantly downsample the original images and then register them using existing tools. Our main contribution is an extensive analysis of the impact of downsampling on registration performance. We study this impact by comparing full-resolution registrations obtained with CLAIRE to lower resolution registrations for synthetic and real-world imaging datasets. Our results suggest that registration at full resolution can yield a superior registration quality—but not always. For example, downsampling a synthetic image from 10243 to 2563 decreases the Dice coefficient from 92% to 79%. However, the differences are less pronounced for noisy or low contrast high resolution images. CLAIRE allows us not only to register images of clinically relevant size in a few seconds but also to register images at unprecedented resolution in reasonable time. The highest resolution considered are CLARITY images of size 2816×3016×1162. To the best of our knowledge, this is the first study on image registration quality at such resolutions.

Himthani, Naveen↗
DOE OSTI2023

Reproduction drives changes in space use and habitat selection in a highly adaptable invasive mammal

Abstract For ungulates, it is not well understood how the interaction between habitat and reproduction affects movement behavior, space use, and habitat selection. We used known parturition (farrowing) data to validate First Passage Time (FPT) movement analysis to identify wild pig (Sus scrofa) parturition events from data collected with GPS collars. We examined home range and habitat selection during three physiologically distinct time periods in the reproductive cycle: late-gestation; farrowing; and neonate-care period. Sows exhibited a behavioral change 1-2 days prior to farrowing, suggesting FPT analysis can reliably identify parturition events for wide-ranging species that have a focused birthing area. Home range was smallest during the farrowing period, likely reflective of nest building, parturition, and protection of neonates. Home range size during the neonate-care period was intermediate between the late-gestation and farrowing periods, indicative of offspring care that may restrict maternal movement. Across all periods, sows avoided developed areas that have sparse canopy and ground cover and are associated with human activities. During late-gestation, sows avoided pine forests that have an open understory and less vegetative cover. During late-gestation and neonate-care, sows selected bottomland hardwood forests, habitat associated with ample food, cover, and water. During farrowing and neonate-care periods, sows selected upland hardwood forests, habitat with high quality food and cover for neonates. The physiological requirements of reproduction drive female habitat selection and spatial scale of movement patterns associated with parturition. Our study contributes to delineation of the appropriate scale at which to analyze movement data to provide insight about where individuals chose to place their home range, how much space to use, and how they use resources on the landscape to maximize reproductive success and fitness.

Zoology↗
DOE OSTI2026

Fluorescence Signatures of Rare Earth Metals during Precipitation in Various Conditions

Fluorescence spectroscopy is a widely used sensor methodology that analyzes light emitted from a compound or element as it decays from an excited state. This technique is very sensitive and selective, which is ideal to characterize analytes at lower limits of detection. Key example targets of significant industry and research interest include rare earth elements (REEs) such as dysprosium (Dy) and europium (Eu). These are widely used in advanced technologies including semiconductors, electric vehicle motors, lasers, and permanent magnets. Identifying new sources and responsible reutilization of REEs is essential, and new approaches to extract and recycle REEs could be notably enhanced through the integration of on-line sensors. The sensors can support faster process design, informed scale-up, and cost-effective deployment. This study covers the initial exploration of applying fluorescence-based on-line monitoring to REEs within a precipitation process. This study demonstrates the successful scale-up of a fluorescence -based sensing approach, from stationary cuvettes and small-volume microfluidic devices to continuous flow systems operating at the bench scale (10-25mL). This work also provides initial insight into the challenges of signal’s effects and utility within a turbid environment. Using a modular design for monitoring flowing solutions in a flow tube, fluorescence can be characterized for a variety of analytical targets. In this study, detection performance parameters between the cuvette and flow tube system were compared. Additionally, the response of Dy during precipitation by sodium bicarbonate in the two measurement designs was explored. This letter represents a starting point to bridge the gap between traditional fluorescence sensor measurements in a cuvette to future developments that explore the ability to integrate fluorescence sensors into extraction and separation processes at industrially relevant scales.

fluorescence↗
DOE OSTI2023

Direct Visualization of Localized Vibrations at Complex Grain Boundaries

Abstract Grain boundaries (GBs) are a prolific microstructural feature that dominates the functionality of a wide class of materials. The functionality at a GB results from the unique atomic arrangements, different from those in the grain, that have driven extensive experimental and theoretical studies correlating atomic‐scale GB structures to macroscopic electronic, infrared optical, and thermal properties. In this work, a SrTiO 3 GB is examined using atomic‐resolution aberration‐corrected scanning transmission electron microscopy and ultrahigh‐energy‐resolution monochromated electron energy‐loss spectroscopy, in conjunction with density functional theory. This combination enables the correlation of the GB structure, nonstoichiometry, and chemical bonding with a redistribution of vibrational states within the GB dislocation cores. The new experimental access to localized GB vibrations provides a direct route to quantifying the impact of individual boundaries on macroscopic properties.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Simulated plant-mediated oxygen input has strong impacts on fine-scale porewater biogeochemistry and weak impacts on integrated methane fluxes in coastal wetlands

Methane (CH 4 ) emissions from wetland ecosystems are controlled by redox conditions in the soil, which are currently underrepresented in Earth system models. Plant-mediated radial oxygen loss (ROL) can increase soil O 2 availability, affect local redox conditions, and cause heterogeneous distribution of redox-sensitive chemical species at the root scale, which would affect CH 4 emissions integrated over larger scales. In this study, we used a subsurface geochemical simulator (PFLOTRAN) to quantify the effects of incorporating either spatially homogeneous ROL or more complex heterogeneous ROL on model predictions of porewater solute concentration depth profiles (dissolved organic carbon, methane, sulfate, sulfide) and column integrated CH 4 fluxes for a tidal coastal wetland. From the heterogeneous ROL simulation, we obtained 18% higher column averaged CH 4 concentration at the rooting zone but 5% lower total CH 4 flux compared to simulations of the homogeneous ROL or without ROL. This difference is because lower CH 4 concentrations occurred in the same rhizosphere volume that was directly connected with plant-mediated transport of CH 4 from the rooting zone to the atmosphere. Sensitivity analysis indicated that the impacts of heterogeneous ROL on model predictions of porewater oxygen and sulfide concentrations will be more important under conditions of higher ROL fluxes or more heterogeneous root distribution (lower root densities). Despite the small impact on predicted CH 4 emissions, the simulated ROL drastically reduced porewater concentrations of sulfide, an effective phytotoxin, indicating that incorporating ROL combined with sulfur cycling into ecosystem models could potentially improve predictions of plant productivity in coastal wetland ecosystems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Photonuclear production of 225 Ac from 226 Ra targets

Herein we report proof of principal production of 225 Ac via 226 Ra(γ , n) 225 Ra $\overset{^-β}{\rightarrow}$ 225 Ac and subsequent chemical separation via extraction chromatography using BDGA and Ln resins. Irradiation of 0.35 µg 226 Ra with 39 MeV bremsstrahlung end-point energy photons produced 225 Ra and 224 Ra at a rate of 754 and 2215 kBq/g 226 Ra/mA/h, respectively. The production rate of 225 Ac determined at its peak radioactivity was 335 kBq/g 226 Ra/mA/h. Radiochemically pure 225 Ac was isolated with a minimum separation factor of 125,000 for 225 Ac: 226 Ra. In conclusion, these results are promising and lay the foundation for future studies to scale-up production for preclinical quantities of high purity 225 Ac using the 226 Ra(γ , n) 225 Ra $\overset{^-β}{\rightarrow}$ 225 Ac approach.

38 - RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCL↗