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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

A techno-economic assessment of carbon dioxide removal pathways via biochemical conversion of lignocellulose to biofuels and bioplastics

Biomass carbon removal and storage (BiCRS) is a promising pathway to mitigate climate change via large scale removal of atmospheric carbon dioxide (CO 2 ). We modeled several fermentation technologies, producing a variety of bioproducts from lignocellulosic feedstocks, to understand their levelized cost of CO 2 removal under multiple scenarios. Lifecycle greenhouse gas (GHG) emissions are accounted to provide cradle-to-grave estimates of carbon intensity (CI). We did not account for the avoided fossil CO 2 emissions from the use of biofuels in our CO 2 removal cost calculations, because avoided emissions do not contribute to CO 2 removal. The main products from the fermentation technologies we modeled include renewable diesel, ethanol, sustainable aviation fuel (SAF), and polyethylene (PE), with co-products including CO 2 , adipic acid, steam, and electricity. PE, depending on its end-of-life management, can serve as a form of biogenic carbon storage. PE has the potential to remove 1.2–1.5 tCO 2 per dry t-biomass, whereas biofuels have the potential to remove 0.3–0.9 tCO 2 per dry t-biomass, indicating that PE production is a more efficient method of carbon removal. We quantify costs of CO 2 removal to be $\$$60 – $\$$675 per metric tCO 2 removed across the various fermentation pathways. Under the scenarios analyzed, bioplastic production from lignocellulosic biomass is a more cost-effective route to CO 2 removal than biofuel production, with costs of CO 2 removal via bioplastics being 50–90 % lower than that of biofuels. Future research should explore the potential benefits and drawbacks of expanding bioplastic production for large-scale CO 2 removal.

09 BIOMASS FUELS↗
DOE OSTI2024

Effect of stoichiometry and hydration level on water domain size and transport in poly(aryl piperidinium) alkaline anion-exchange membranes

Alkaline water electrolysis holds promise in decarbonizing the global economy by enabling renewable hydrogen production with non-precious group metal catalysts. Anion exchange membranes are an important component of alkaline water electrolyzers and would ideally be durable while allowing for high hydroxide conductivity. The poly(aryl piperidinium) (PAP) class of polymers has attracted recent interest due to their good mechanical robustness and high ionic conductivity. Here, in this work, we perform atomistic molecular dynamics (MD) simulations of several PAP polymers at experimentally relevant hydration levels and polymer ion exchange capacities (IECs) to gain nanoscale insight into their properties and to help elucidate the trade-offs that result from tuning the IECs through the polymer stoichiometry. Our MD-predicted macroscopic polymer properties were found to be in good agreement with experimentally available polymer swelling ratios, water-occupied volumes, X-ray scattering, and ionic conductivities. The models show that for hydration levels greater than 8H 2 O per cation a single water cluster will form that percolates through the system. The growth in water cluster size results in large polymer swelling, the creation of larger channels with widths of 7 Å or larger, and nanophase separation between the hydrophilic domains and the polymer with characteristic length scales of approximately 20–30 Å. The experimentally observed lack of a strong X-ray scattering peak at low wavevectors can be explained by a cancellation between the polymer-polymer/water-water and polymer-water correlations and not a loss in nanophase separation. The overlap in coordination environments of the hydroxide oxygen and polymer nitrogen atoms implies that vehicular diffusion between cationic groups could play a role in hydroxide transport. The polymers' hydroxide and water diffusion constants increase by approximately an order of magnitude between hydration levels of 8 and 20H 2 O per cation. However, there are diminishing returns in hydroxide diffusion constant once the IEC exceeds 2.4 meq/g.

08 HYDROGEN↗
DOE OSTI2026

(Ir)Relevance of Disorder for Superconductivity in Cuprates

In cuprates that exhibit high-temperature superconductivity (HTS), as the doping level 𝑝 is increased beyond the optimal value, the superfluid density 𝑛 𝑠⁢0 decreases and eventually vanishes, closely tracking the critical temperature 𝑇 𝑐 . This has been interpreted using a dirty-𝑑-wave extension of the Bardeen-Cooper-Schrieffer theory, assuming that 𝑇 𝑐 and 𝑛 𝑠⁢0 decrease with increasing disorder and pair breaking. Here, to test this hypothesis, we tuned the doping level in overdoped La 2-x ⁢Sr x ⁢CuO 4−𝛿 films by electrolyte gating, measured several parameters used to quantify the level of disorder (the residual resistivity ratio RRR, the mean free path 𝑙 0 , and the electron mobility 𝜇), and studied how 𝑇 𝑐 and 𝑛 𝑠⁢0 scale with these. The experimentally measured dependence turned out to be the opposite of the expected—𝑇 𝑐 and 𝑛 𝑠⁢0 increased with increasing disorder. This brings the question of the true origin of the demise of 𝑇 𝑐 and 𝑛 𝑠⁢0 with overdoping back to the center stage of the quest to decipher the HTS enigma.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Optimizing on-ramp merging for connected and automated vehicles: A hierarchical approach using deep reinforcement learning and optimal control

On-ramp merging for Connected and Automated Vehicles (CAVs) presents significant challenges in dynamic traffic environments. Traditional methods and recent learning-based approaches often fail to simultaneously address decision-making complexity and execution precision under fluctuating conditions. This study introduces a novel hierarchical framework that combines: (1) a high-level Deep Reinforcement Learning (DRL) module that coordinates merging sequences through Virtual Traffic Signals (VTS) with Yield/Green phases and (2) a low-level optimal controller generating collision-free speed trajectories via pseudospectral convex optimization. A convolutional autoencoder compresses high-dimensional traffic states to enhance responsiveness. Extensive simulations demonstrate a 12.5% improvement in mainline throughput a 28% reduction in emergency braking events, and 31.66% lower fuel consumption compared to baseline methods. Furthermore, the framework’s effectiveness in coordinating CAV merges highlights its potential for real-world deployment. Future work will extend validation to multi-lane scenarios with mixed traffic and large-scale multiple merging points.

Connected and automated vehicles↗
DOE OSTI2024

Photosynthetic responses of switchgrass to light and CO 2 under different precipitation treatments

Switchgrass ( Panicum virgatum L .) is a prominent bioenergy crop with robust resilience to environmental stresses. However, our knowledge regarding how precipitation changes affect switchgrass photosynthesis and its responses to light and CO 2 remains limited. To address this knowledge gap, we conducted a field precipitation experiment with five different treatments, including −50%, −33%, 0%, +33%, and +50% of ambient precipitation. To determine the responses of leaf photosynthesis to CO 2 concentration and light, we measured leaf net photosynthesis of switchgrass under different CO 2 concentrations and light levels in 2020 and 2021 for each of the five precipitation treatments. We first evaluated four light and CO 2 response models (i.e., rectangular hyperbola model, nonrectangular hyperbola model, exponential model, and the modified rectangular hyperbola model) using the measurements in the ambient precipitation treatment. Based on the fitting criteria, we selected the nonrectangular hyperbola model as the optimal model and applied it to all precipitation treatments, and estimated model parameters. Overall, the model fit field measurements well for the light and CO 2 response curves. Precipitation change did not influence the maximum net photosynthetic rate ( P max ) but influenced other model parameters including quantum yield ( α ), convexity ( θ ), dark respiration ( Rd ), light compensation point ( LCP ), and saturated light point ( LSP ). Specifically, the mean P max of five precipitation treatments was 17.6 μmol CO 2 m −2 s −1 , and the ambient treatment tended to have a higher P max . The +33% treatment had the highest α , and the ambient treatment had lower θ and LCP , higher Rd , and relatively lower LSP . Furthermore, precipitation significantly influenced all model parameters of CO 2 response. The ambient treatment had the highest P max , largest α , and lowest θ , R d , and CO 2 compensation point LCP . Overall, this study improved our understanding of how switchgrass leaf photosynthesis responds to diverse environmental factors, providing valuable insights for accurately modeling switchgrass ecophysiology and productivity.

09 BIOMASS FUELS↗
DOE OSTI2025

CO 2 in Ionene–Ionic Liquid Composite Membranes

Abstract Ionene – ionic liquid (IL) composites are promising materials for CO 2 separation, yet a molecular‐level understanding of their structure and its impact on CO 2 speciation, solubility, rotation, and diffusivity remains unclear. Herein, using multimodal nuclear magnetic resonance (NMR), time‐of‐flight secondary ion mass spectrometry (ToF‐SIMS), atomic force microscopy (AFM), and molecular dynamics (MD) simulations, we reveal that the composites contain IL‐rich domains extending across hundreds of nanometres within the ionene matrix, and these bicontinuous domains span the entire membrane depth. CO 2 also absorbs into the ionene matrix, with the distribution between two CO 2 species varying with temperature and time. The rotational correlation times of these two species are on the timescale of 0.1 and 1 ns, respectively. As IL content increases, the ionic domains expand, resulting in higher CO 2 solubility due to enhanced molecular dynamics and increased free volume in both ionene backbones and IL‐rich regions. Although CO 2 diffusion in the membranes is an order of magnitude slower than in bulk IL, the activation energy for CO 2 diffusion remains comparable. Ionene‐IL composites represent a promising platform for designing CO 2 separation membranes, offering enhanced CO 2 diffusion and selectivity through IL‐rich domains, and increased CO 2 solubility and mechanical integrity from the ionene matrix.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Stable Water Isotope Data for the East River Watershed, Colorado (2014-2025)

The stable water isotope data for the East River Watershed, Colorado, consists of delta2H (hydrogen) and delta18O (oxygen) values from samples collected at multiple, long-term monitoring sites including streams, groundwater wells, springs, and a precipitation collector used to establish a local meteoric water line (LMWL) for the watershed. These locations represent important and/or unique end-member locations for which stable isotope values can be diagnostic of the connection between precipitation inputs as snow and rain and riverine export. Such locations include drainages underline entirely or largely by shale bedrock, land covered dominated by conifers, aspens, or meadows, and drainages impacted by historic mining activity and the presence of naturally mineralized rock. Developing a long-term record of water isotope values from a diversity of environments is a critical component of quantifying the impacts of both climate change and discrete climate perturbations, such as drought, forest mortality, and wildfire, on water export. Such data may be combined with stream gaging stations co-located at each surface water monitoring site to relate seasonal variations in water export to their stable isotopic signature. Data for liquid water delta2H and delta18O values are reported in units of parts per thousand (per-mil; ‰). This data package contains (1) a zip file (isotope_data_2014-2025.zip) containing a total of 95 files: 96 data files of isotope data from across the Lawrence Berkeley National Laboratory (LBNL) Watershed Function Scientific Focus Area (SFA) which is reported in .csv files per location and a locations.csv (1 file) with latitude and longitude for each location; (2) a file-level metadata (v6_20260901_flmd.csv) file that lists each file contained in the dataset with associated metadata; and (3) a data dictionary (v6_20260901_dd.csv) file that contains terms/column_headers used throughout the files along with a definition, units, and data type. Missing values within the anion data files are noted as either "-9999" or "0.0" for not detectable (N.D.) data. There are a total of 43 locations containing isotope data. Update on 2022-06-10: versioned updates to this dataset was made along with these changes: (1) updated isotope data for all locations up to 2021-12-31 and (2) the addition of the file-level metadata (flmd.csv) and data dictionary (dd.csv) were added to comply with the File-Level Metadata Reporting Format. Update on 2022-09-09: Updates were made to reporting format specific files (file-level metadata and data dictionary) to correct swapped file names, add additional details on metadata descriptions on both files, add a header_row column to enable parsing, and add version number and date to file names (v2_20220909_flmd.csv and v2_20220909_dd.csv). Update on 2023-08-08: Updates were made to both the data files and reporting format specific files. New available anion data was added, up until 2023-03-13. The file level metadata and data dictionary files were updated to reflect the additional data added. Update on 2024-03-11: Updates were made to both the data files and reporting format specific files. New available anion data was added, up until 2024-02-19. Further, revisions to the data files were made to remove incorrect data points (from 1970 and 2001). The reporting format specific files were updated to reflect the additional data added. Update on 2025-05-15: Updates were made to both the data files and reporting format specific files. New available isotope data was added, up until the end of WY2024 (September 30, 2024). International Generic Sample Numbers (IGSNs), when registered, were added to the data files. The reporting format specific files were updated to reflect the additional data added. Update on 2026-09-01: Updates were made to both the data files and reporting format specific files. New available isotope data was added, up until the end of WY2025 (September 30, 2025).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Dramatic changes in mitochondrial subcellular location and morphology accompany activation of the CO 2 concentrating mechanism

Dynamic changes in intracellular ultrastructure can be critical for the ability of organisms to acclimate to environmental conditions. Microalgae, which are responsible for ~50% of global photosynthesis, compartmentalize their Ribulose 1,5 Bisphosphate Carboxylase/Oxygenase (Rubisco) into a specialized structure known as the pyrenoid when the cells experience limiting CO 2 conditions; this compartmentalization is a component of the CO 2 Concentrating Mechanism (CCM), which facilitates photosynthetic CO 2 fixation as environmental levels of inorganic carbon (Ci) decline. Changes in the spatial distribution of mitochondria in green algae have also been observed under CO 2 limitation, although a role for this reorganization in CCM function remains unclear. We used the green microalga Chlamydomonas reinhardtii to monitor changes in mitochondrial position and ultrastructure as cells transition between high CO 2 and Low/Very Low CO 2 (LC/VLC). Upon transferring cells to VLC, the mitochondria move from a central to a peripheral cell location and orient in parallel tubular arrays that extend along the cell’s apico-basal axis. We show that these ultrastructural changes correlate with CCM induction and are regulated by the CCM master regulator CIA5. The apico-basal orientation of the mitochondrial membranes, but not the movement of the mitochondrion to the cell periphery, is dependent on microtubules and the MIRO1 protein, with the latter involved in membrane–microtubule interactions. Furthermore, blocking mitochondrial respiration in VLC-acclimated cells reduces the affinity of the cells for Ci. Overall, our results suggest that mitochondrial repositioning functions in integrating cellular architecture and energetics with CCM activities and invite further exploration of how intracellular architecture can impact fitness under dynamic environmental conditions.

CO2 concentrating mechanism↗
DOE OSTI2025

Noise in Intense Electron Bunches (Final Technical Report)

The goal of this project is to investigate density fluctuations in electron bunches. Noise and density fluctuations in relativistic electron bunches, accelerated in a linac, are of critical importance to various Coherent Electron Cooling (CEC) concepts as well as to free-electron lasers (FELs). For CEC, the beam noise results in additional diffusion that counteracts cooling; and if this noise is not controlled at sufficiently low level, the noise heating effects can overcome cooling. There have been several proposals in the past to suppress the noise in the beam in the frequency range of interest in order to optimize the cooling effects. In SASE FELs a microwave instability starts from the initial noise in the beam and eventually leads to the beam microbunching yielding coherent radiation, and the initial noise in the FEL bandwidth plays a useful role. In seeded FELs, in contrast, such noise interferes with the seed signal, so that reducing noise at the initial seed wavelength would lower the seed laser power requirement. Our major goals were (1) to measure the electron beam density noise level in a 0.5 – 10 um wavelength range, (2) to predict the beam noise level in order to compare with the measurements, and (3) as a stretch goal, to find mechanisms that affect the beam noise to control its level in a predictable manner.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

FATHOMS-RAG: A Framework for the Assessment of Thinking and Observation in Multimodal Systems that use Retrieval Augmented Generation

Retrieval-augmented generation (RAG) has emerged as a promising paradigm for improving factual accuracy in large language models (LLMs). We introduce a benchmark designed to evaluate RAG pipelines as a whole, evaluating a pipelines ability to ingest several modalities of information. We present (1) a curated dataset of 93 questions designed to evaluate a pipeline's ability to ingest textual data, tables, images, multimodal data, and cross-document multimodal data; (2) a phrase-level recall metric for correctness; (3) a nearest-neighbor embedding classifier in an attempt to classify pipeline hallucinations; (4) a comparative evaluation of 2 pipelines built with open-source retrieval mechanisms and 4 closed-source foundational models; and (5) a third-party human evaluation of the alignment of our correctness and hallucination metrics. We find that closed-source pipelines significantly outperform open-source pipelines in both the correctness and halucination metrics, with a wider performance gap in questions relying on multimodal and cross-document information. We also find after a human evaluation of our correctness and hallucination metric compared with our questions and pipeline responses, average agreement was 4.62 for correctness 4.53 for hallucination detection on a 1-5 Likert scale with 5 being strongly agree with our determination.

Hildebrand, Samuel [ORNL] (ORCID:0009000465963104)↗
DOE OSTI2026

Photo-DAC: Light-Driven Ambient-Temperature Direct Air Capture by a Photobase

Direct air capture (DAC) may reduce atmospheric CO 2 concentrations to preindustrial levels, yet the high energies and temperatures involved in current DAC technologies hinder large-scale deployment. In the case of aqueous-based CO 2 absorbents, a large energetic penalty is associated with heating and boiling off water, as required for thermally driven solvent regeneration. This could be avoided via photochemically driven pH swings involving photoacids or photobases, and harnessing abundant and renewable solar energy, though efficient solvent regeneration and recycling in a realistic multicycle DAC process remains challenging. Herein, we report a photochemically driven DAC process (photo-DAC) in which atmospheric CO 2 capture by an aqueous glycylglycine (GlyGly) solution is enabled through a pH swing by a pyridine-substituted diiminoguanidine (PyDIG) photobase. Upon irradiation with UV light, the PyDIG photobase undergoes photoisomerization from the E,E to the Z,Z isomer, corresponding to a pK a increase of 2.8 units that activates GlyGly for DAC through deprotonation. After the GlyGly/PyDIG solvent is saturated with atmospheric carbon dioxide, leaving it in the dark under ambient conditions leads to the isomerization of PyDIG from the Z,Z back to the E,E isomer, which is accompanied by a pH drop and CO 2 release. To demonstrate the recyclability of the GlyGly/PyDIG solvent, we have completed six consecutive DAC cycles, with a measured average cyclic capacity in the range of 0.21–0.26 mol CO 2 per mol of GlyGly/PyDIG. These results open the prospect for energy-efficient DAC cycles completed entirely at ambient conditions, thereby avoiding the significant energy penalties associated with heating and boiling aqueous solvents.

Einkauf, Jeffrey D. [Oak Ridge National Laboratory↗
DOE OSTI2024

Optimal operation of solid-oxide electrolysis cells considering long-term chemical degradation

Optimizing the performance of solid oxide electrolysis cells (SOECs) for long-term hydrogen (H 2 ) production at high temperatures is crucial, as prolonged operation leads to efficiency losses and shorter cell lifespans due to chemical degradation. Here, in this work, we adopt a quasi-steady state approach for dynamic optimization over extended operational periods to address the disparity in timescales between cell operation and degradation. Integrating a 2-D non-isothermal SOEC model with balance-of-plant (BOP) equipment, we explore three optimization objectives: minimizing terminal degradation, maximizing integral efficiency, and minimizing the levelized cost of H 2 (LCOH). Our dynamic optimization algorithm reduces LCOH by 9.5% and 16% compared to strategies focusing solely on terminal degradation and integral efficiency, respectively. For electricity prices of 0.03 $\$$/mWh and 0.3 $\$$ mWh optimal replacement schedules range from 5 to 2 years, depending on the operational mode. Furthermore, a flexible operational mode yields additional improvements in LCOH over traditional galvanostatic and potentiostatic modes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Assessing spin-density wave formation in La 3 Ni 2 O 7 from electronic structure calculations

Here, we employ correlated density-functional theory methods (DFT + Hubbard U) to investigate the spin-density wave state of the bilayer Ruddlesden-Popper (RP) nickelate La 3 Ni 2 O 7 which becomes superconducting under pressure. We predict that the ground state of this bilayer RP material has traits of both the double spin-stripe and the single spin-charge stripe phases proposed in the literature as it corresponds to in-plane up/up′/down/down′ diagonal stripes with up/down being high spin (formally Ni 2+ : d 8 ), and up′ /down′ being low spin (formally Ni 3+ : d 7 ). The main feature of this solution (that is insulating even at U = 0) is the dominant role of the d x 2 −y 2 bands around the Fermi level, which would become doped with the introduction of electrons via oxygen vacancies. In spite of the similarity with cuprates in terms of the dominant role of d x 2 −y 2 bands, some differences are apparent in the magnetic ground state of La 3 Ni 2 O 7 : the antiferromagnetic out-of-plane coupling within the bilayer (linked to the d z 2 orbitals forming a spin-singlet-like configuration) is found to be the dominant one while in-plane interactions are reduced due to the stripe order of the ground state. With pressure, this striped magnetic ground state remains similar in nature but the increase in bandwidth quickly transitions La 3 Ni 2 O 7 into a metallic state with all the activity close to the Fermi level involving, to a large extent, d x 2 −y 2 orbitals. This is reminiscent of the cuprates and may provide key insights into how superconductivity arises in this material under pressure.

LaBollita, Harrison↗
DOE OSTI2025

Evaluation of aflatoxin contamination in protein-rich pulses using a GFP-expressing Aspergillus flavus strain

Background Mycotoxigenic fungi pose significant threats to food safety and marketability. Crop-specific differences in susceptibility to these fungi can influence contamination levels. Objectives The resistance or susceptibility of protein-rich pulse crops—chickpeas (Cicer arietinumL. cv. CDC Frontier), lentils (Lens culinarisMedik cv. Eston), peas (Pisum sativumL. cv. LeRoy), and corn (Zea maysL. cv. H97C) to infection byAspergillus flavuswere evaluated using a kernel screening assay (KSA). Methodology A. flavusstrain 70 (AF-70) expressing green-fluorescent protein (GFP) was used to quantify fungal spread and mycotoxin production. Fungal infection and toxin levels, including aflatoxins (AFB 1 , AFB 2 ), cyclopiazonic acid (CPA), and α-aflatrem, were monitored at 2-day intervals over a 10-day period post inoculation. Results Although all seeds were infected byA. flavus, corn produced significantly higher levels of AFB 1 and AFB 2 compared to pulses. However, pulses accumulated relatively higher levels of CPA and α‑aflatrem. Conclusion While pulses may be less susceptible to aflatoxin contamination than corn, the elevated concentrations of CPA and α‑aflatrem underscore the need for further toxicological evaluation and mechanistic studies. Future research should explore the underlying resistance mechanisms from field to storage to better ensure crop safety.

Microbiology↗
DOE OSTI2025

Dark Matter Search Results from 4.2 Tonne−Years of Exposure of the LUX-ZEPLIN (LZ) Experiment

We report results of a search for nuclear recoils induced by weakly interacting massive particle (WIMP) dark matter using the LUX-ZEPLIN (LZ) two-phase xenon time projection chamber. This analysis uses a total exposure of 4.2 ±0.1 tonne-years from 280 live days of LZ operation, of which 3.3 ± 0.1 tonne-years and 220 live days are new. A technique to actively tag background electronic recoils from 214 Pb 𝛽 decays is featured for the first time. Enhanced electron-ion recombination is observed in two-neutrino double electron capture decays of 124 Xe, representing a noteworthy new background. After removal of artificial signal-like events injected into the dataset to mitigate analyzer bias, we find no evidence for an excess over expected backgrounds. World-leading constraints are placed on spin-independent (SI) and spin-dependent WIMP-nucleon cross sections for masses ≥9 GeV/𝑐 2 . The strongest SI exclusion set is 2.2×10 −48 cm 2 at the 90% confidence level and the best SI median sensitivity achieved is 5.1 ×10 −48 cm 2 , both for a mass of 40 GeV/𝑐 2 .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Band structure and Fermi surface nesting in LaSb 2

Here we use high-resolution angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT) to investigate the electronic structure of the charge density wave (CDW) system LaSb 2 . This compound is among an interesting group of materials that manifests both a CDW transition and lower temperature superconductivity. We find the DFT calculations to be in good agreement with our ARPES data. The Fermi surface of LaSb 2 consists of two small hole pockets close to Γ and four larger pockets near the Brillouin zone boundary. The key features of the Fermi surface do not vary significantly with temperature. A saddle point is present at -0.19 eV below the Fermi level at Γ. Saddle points in the band structure have more pronounced effects on materials properties when they are located closer to the Fermi level, making doped LaSb 2 compounds a potential interesting subject of future research. Multiple peaks are present in the generalized, electronic susceptibility calculations, indicating the presence of three possible nesting vectors. We were not able to detect any signatures of the CDW transition at 355 K down to the lowest temperature of 7 K, pointing to the subtle nature of this transition. This is unusual, given that such a high transition temperature is expected to be associated with the presence of a large CDW gap. This is confirmed through investigation of the Fermi surface and through analysis of momentum distribution curves. It is possible that changes are subtle and occur below current sensitivity of our measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Accumulation of trace elements in soil and fauna within a site historically contaminated with coal combustion residues

Legacy contaminants tied to energy production are a worldwide concern. Coal combustion residues (CCRs) contain high concentrations of potentially toxic trace elements such as arsenic (As), mercury (Hg), and selenium (Se), which can persist for decades after initial contamination. Coal combustion residue disposal methods, including aquatic settling basins and landfills, can facilitate environmental exposure through intentional and accidental releases. Wildlife exposed to CCRs can experience numerous deleterious effects, such as on development, reproduction, and survival. In the current study, we quantified and compared concentrations of As, Hg, Se, and strontium (Sr) within soils and target fauna (three vertebrate and three invertebrate taxa) from a CCR-contaminated site and a reference site within the U.S. Department of Energy’s Savannah River Site, South Carolina, United States. Our objectives were to (1) compare current concentrations of tested elements in soil and resident fauna to levels from our reference site, (2) assess natural attenuation of elements in soils by comparing current concentrations to historic levels, and (3) evaluate the biomagnification potential of the elements measured via body burden and trophic position correlations among fauna. Here, element concentrations were higher in contaminated soils than reference soils; however, concentrations in 2022 were unchanged from concentrations measured in 2003, suggesting no natural attenuation of tested elements. Additionally, target fauna had elevated As, Se, and Sr levels in comparison to reference samples. A positive correlation was observed in southern toads between Sr concentrations and trophic position, as assessed by nitrogen stable isotope ratios, suggesting potential for biomagnification of Sr within our study system. Collectively, our results demonstrate that legacy contaminants are still present and bioaccumulate in a diversity of taxa in a CCR-contaminated site that has not received effluents in more than 50 years, suggesting monitoring programs in CCR-contaminated sites should be maintained long term in the absence of remediation.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗