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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Groundwater flowpath characteristics drive variability in per- and polyfluoroalkyl substances (PFAS) loading across a stream-wetland system

Groundwater dependent ecosystems in areas with industrial and military land use are at risk of direct exposure to a wide range of contaminants, including PFAS chemicals. Glaciated terrain often has mixed high and low permeability sediments coupled with groundwater flow-through lake features. These hydrogeologic attributes create highly complex ‘source to seep’ dynamics that make spatiotemporal contaminant transport patterns difficult to predict. We investigated one such system in detail using a suite of heat-tracing and chemical methods. Numerous (n=57) preferential groundwater discharge zones (vertical flux rates ranging 0.2 to 3.2 m/d) were identified across the upper Quashnet River stream-wetland system in Mashpee, MA, USA, adjacent to an Air Force Base with several known PFAS source areas. Surface-water and groundwater samples were collected and analyzed (n=145) for precursors and terminal PFAS compounds between March and September 2022. Samples were collected at identified seeps along the Quashnet River (n=59), from wells upgradient from the stream-wetland system (n= 44), from contributing flow-through kettle lakes (n=8), and at multiple locations along the Quashnet River (n=34). Samples from seeps and wells had measured PFAS concentrations ranging from non-detect to approximate 3,500 ng/L (mean= 1,650 ng/L), and a range of deuterium excess values (3.2 to 15.9 per mil) indicative of varying degrees of groundwater-lake interaction prior to emergence at the discharge zones. Groundwater-lake interaction along flowpaths that sourced the sampled seeps was farther supported by significant correlations (p < 0.01) between deuterium excess and %PFAS precursors, and between %PFAS precursors and multiple terminal PFAS compounds (e.g., PFPeS, PFBS, PFHxS). However, some sampled seeps contributing groundwater to the stream-wetland system had much higher total PFAS concentrations (>1000 ng/L) than the upgradient kettle lakes, despite showing lake (evaporative) isotopic signatures, indicating the potential for groundwater flowpath convergence at wetland discharge zones and the influence of lakebed PFAS precursor reactions. PFAS compounds and water isotopic composition at sampled multilevel groundwater wells, rivers, lakes, and seeps suggest that a complex mixture of source groundwater and flowpath characteristics are responsible for diverse observed PFAS mixtures at preferential discharge zones across the stream-wetland system. Further, total PFAS loading patterns to the Quashnet River via groundwater discharge remained remarkably similar from winter to summer to fall conditions, despite a regional dry period in late summer 2022 with the upper river channel completely drying. This work addresses gaps in the existing PFAS literature by demonstrating the importance of subsurface fate and transport on PFAS compound concentrations in controlling contaminant mass loading in preferential groundwater discharge zones and presents a transferrable field toolkit for efficient characterization of spatially preferential PFAS transport dynamics.

Contaminant transport↗
DOE OSTI2023

Site 300 Water Line - Zone 3 In Fill Assessment Soil Sampling and Analysis Plan (Addendum 1, March 2023)

The purpose of this addendum is to expand the Site 300 Water Line Project – Zone 3 In Fill Assessment Soil Sampling and Analysis Plan (SAP), (LLNL-AM-826971), dated August 2021. This addendum will be used in conjunction with the SAP. All policies and procedures set forth in the SAP that are not modified in this addendum will remain in effect for the duration of the project, where applicable.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Geochemistry and Microbiology Predict Environmental Niches with Conditions Favoring Potential Microbial Activity in the Bakken Shale

The Bakken Shale and underlying Three Forks Formation is an important oil and gas reservoir in the United States. The hydrocarbon resources in this region are accessible using unconventional oil and gas extraction methods, including horizontal drilling and hydraulic fracturing. However, the geochemistry and microbiology of this region are not well understood, although they are known to have major implications for productivity and water management. In this study, we analyzed the produced water from 14 unconventional wells in the Bakken Shale using geochemical measurements, quantitative PCR (qPCR), and 16S rRNA gene sequencing with the overall goal of understanding the complex dynamics present in hydraulically fractured wells. Bakken Shale produced waters from this study exhibit high measurements of total dissolved solids (TDS). These conditions inhibit microbial growth, such that all samples had low microbial loads except for one sample (well 11), which had higher 16S rRNA gene copies. Our produced water samples had elevated chloride concentrations typical of other Bakken waters. However, they also contained a sulfate concentration trend that suggested higher occurrence of sulfate reduction, especially in wells 11 and 18. The unique geochemistry and microbial loads recorded for wells 11 and 18 suggest that the heterogeneous nature of the producing formation can provide environmental niches with conditions conducive for microbial growth. This was supported by strong correlations between the produced water microbial community and the associated geochemical parameters including sodium, chloride, and sulfate concentrations. The produced water microbial community was dominated by 19 bacterial families, all of which have previously been associated with hydrocarbon-reservoirs. These families include Halanaerobiaceae, Pseudomonadaceae, and Desulfohalobiaceae which are often associated with thiosulfate reduction, biofilm production, and sulfate reduction, respectively. Notably, well 11 was dominated by sulfate reducers. Our findings expand the current understanding of microbial life in oil and gas related environments, provide new insights into how the unique produced water conditions shape microbial communities, and demonstrate thatproduced water chemistry is tightly linked with microbiota in the Bakken Shale. Finally, our study shows that additional research efforts are necessary to understand this ecosystem and highlights the need for work in other unconventional reservoirs.

Tinker, Kara↗
DOE OSTI2024

Manganese exposure from spring and well waters in the Shenandoah Valley: interplay of aquifer lithology, soil composition, and redox conditions

Manganese (Mn) is of particular concern in groundwater, as low-level chronic exposure to aqueous Mn concentrations in drinking water can result in a variety of health and neurodevelopmental effects. Much of the global population relies on drinking water sourced from karst aquifers. Thus, we seek to assess the relative risk of Mn contamination in karst by investigating the Shenandoah Valley, VA region, as it is underlain by both karst and non-karst aquifers and much of the population relies on water wells and spring water. Water and soil samples were collected throughout the Shenandoah Valley, to supplement pre-existing well water and spring data from the National Water Information System and the Virginia Household Water Quality Program, totaling 1815 wells and 119 springs. Soils were analyzed using X-ray fluorescence and Mn K-Edge X-ray absorption near-edge structure spectroscopy. Factors such as soil type, soil geochemistry, and aquifer lithology were linked with each location to determine if correlations exist with aqueous Mn concentrations. Analyzing the distribution of Mn in drinking water sources suggests that water wells and springs within karst aquifers are preferable with respect to chronic Mn exposure, with < 4.9% of wells and springs in dolostone and limestone aquifers exceeding 100 ppb Mn, while sandstone and shale aquifers have a heightened risk, with > 20% of wells exceeding 100 ppb Mn. The geochemistry of associated soils and spatial relationships to various hydrologic and geologic features indicates that water interactions with aquifer lithology and soils contribute to aqueous Mn concentrations. Relationships between aqueous Mn in spring waters and Mn in soils indicate that increasing aqueous Mn is correlated with decreasing soil Mn(IV). These results point to redox conditions exerting a dominant control on Mn in this region.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

A scalable approach of using biomass derived glycerol to synthesize cathode materials for lithium-ion batteries

Glycerol, a main byproduct of biodiesel, was used as the fuel agent in a scalable flame-assisted spray pyrolysis approach to synthesize micron-size cathode materials. Single droplet combustion, particle morphology, and electrochemical performance were examined considering the effects of salt concentration, water addition, and post-annealing time on synthesizing Li(Ni 1/3 Co 1/3 Mn 1/3 )O 2 (NCM111) cathode materials. Single droplet tests showed that a sufficient amount of water in the glycerol-based precursor could delay droplet inflation and ignition. Moreover, using a two-fluid atomization nozzle, spray tests demonstrated that adding water would result in less wrinkled and more uniform particles. Nevertheless, increasing water proportion in the precursor could reduce the reaction heat, resulting in that samples prepared with water addition needed longer post-annealing time to improve their electrochemical performance. Using the precursor without water, the best performed NCM111 cathode material was synthesized with only 2 h of post-annealing. It has a discharge capacity of 163.3 mAh/g at 0.1C and 85.5% capacity retention at 1C after 100 cycles. Furthermore, the current work confirmed the capability of using glycerol as a sustainable fuel agent to synthesize NCM111 cathode materials, and also provided basic conditions for the development of large-scale production in the future.

25 ENERGY STORAGE↗
DOE OSTI2022

Improved Understanding of Zircaloy Hydrogen Pickup Mechanisms in BWRs. NSUF Report (Final Report)

Using an instrumented autoclave operating at 288°C and 1100 psi, electrical impedance spectroscopy (EIS) measurements were taken from three neutron irradiated fuel channel samples (Zircaloy-2 and Zircaloy-4). The three high priority fuel channel samples were tested at 288°C using a simulated PWR water with the AC frequency range extending down through 10 -4 Hz, with corresponding DC measurements to validate the resistance measurements. EIS measurements were also taken at room temperature using a simulated PWR water from four neutron irradiated fuel channel samples (Zircaloy-2 and Zircaloy-4). and four water rod samples (Zircaloy-2). EIS measurements were also performed on unirradiated Zircaloy-2 tubes that were previously oxidized in autoclaves at various temperatures for different time durations to obtain oxide layers of different thicknesses. These experiments proved to be more challenging than anticipated because of the small size of the samples, which required development of fixtures to allow valid testing of the materials, some of which are radioactive, under pressure and temperature. Equivalent circuits were used to model the data. Some samples resulted in Nyquist plots where the arcs were too close to each other resulting in the inability to separate the different oxide morphological thicknesses. Microstructural characterization in the form of optical microscopy, scanning electron microscopy and (scanning) transmission electron microscopy was performed to document the microstructural features of the oxidized Zr-2 and Zr-4 samples (oxide and metal/oxide interface) and to interpret the EIS results. At the start of this work, it was assumed that despite the laminar cracks and porosity visible in both optical and SEM, the oxide scale is dense near the metal, effectively preventing the water from contacting the metal directly. While it is generally accepted that the large laminar cracks pores allow the water to percolate into the oxide film, it is unknown just how deep it can go, and how interconnected is the porosity, which will dictate how much the porosity is connected electrically to the water within the oxide scale. The EIS results demonstrated that there is in fact a distribution of oxide thicknesses over the various samples, and within each material condition, that are communicating to the liquid. This is derived from the fact that Nyquist plots have an arc radius whose center point is often below the Z’ axis, implying that instead of a single oxide thickness, these oxides have a distribution of thicknesses. This distribution of thicknesses produces arcs that are not clearly separable in most of the samples.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Magnetically Recoverable and Reusable Titanium Dioxide Nanocomposite for Water Disinfection

A bifunctional magnetic Fe3O4@SiO2@TiO2 or MS-TiO2 antimicrobial nanocomposite was prepared based on simple sol-gel methods with common equipment and chemicals. Reaction pH was found to influence the TiO2 upload in the nanocomposite. The alkaline condition produced the greatest TiO2 upload, while the acidic condition the least. Annealing at 300 °C turned the as-synthesized amorphous TiO2 into one with high content of anatase, the most photoactive form of TiO2. Irradiated by 365 nm UV light, a sample of 30 mg/mL of annealed nanocomposite containing 12.6 wt.% Ti was shown to be able to completely eradicate 104 CFU/mL of the laboratory-grown E. coli within 25 min, 25 min faster than the control when the 365 nm UV light was employed alone. The nanocomposite demonstrated consistent antimicrobial performance over repeated uses and was easily recoverable magnetically due to its high magnetization value (33 emu/g). Additionally, it was shown to reduce the bacterial count in a real surface water sample containing 500–5000 CFU/mL of different microbes by 62 ± 3% within 30 min. The irradiating 365 nm UV light alone was found to have generated little biocidal effect on this surface water sample. The nanocomposite is promising to serve as an effective, safe, and eco-friendly antimicrobial agent, especially for surface water disinfection.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Stable Isotope and Geochemical Evidence for Hydrological Isolation in an Arctic Coastal Plain Landscape, Barrow, Alaska, 2013

Data include results from water chemistry and water isotope analyses for samples collected in Barrow, Alaska during July and September 2013. Samples were from surface and soil pore waters from 15 locations: 3 locations from interlake polygonal terrain, 6 locations associated with interlake drainages, and 6 locations within or at the outlets of different aged drained thaw lake basins (DTLBs). Samples were taken in different drainage flow types at three different depths at each location in and around the Barrow Environmental Observatory. This dataset includes one .csv data file and one .pdf user guide.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a 15-year research effort (2012-2027) 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).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Leaf C and N content, Feb2016-May2016, PA-SLZ, PA-PNM, PA-BCI: Panama

This dataset contains carbon, hydrogen and nitrogen content data of 33 tree species collected from February to May 2016 at the NGEE-Tropics Bosque Protector San Lorenzo (PA-SLZ) and Parque Natural Metropolitano (PA-PNM) sites in Panama. Data from Barro Colorado Island (PA-BCI) is only available for March 2016. This data was collected as part of the 2016 ENSO campaign. See related datasets for further sample details, leaf water potential, leaf spectra, gas exchange and leaf mass per area (LMA). Most leaves were sampled from sunlit canopy trees. VERSION 2 update. The identification of a species from the PNM site has been corrected as follows: the identification of the tree initially identified as Pseudosamanea guachapele (ALBIED) has been revised to Albizia adinocephala (ALBIAD). The updated data package includes revised data, metadata and protocol documents updated to reflect this change.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Geophysical Characterization and Monitoring of the 200 Area Treated Effluent Disposal Facility to Support Permit Renewal; TEDF Geophysical Monitoring

The Treated Effluent Disposal Facility (TEDF), located in the 200 East Area of the Hanford Site, is a site where non-hazardous and non-radioactive liquid wastes are disposed into two state-permitted infiltration basins. In 2016, the Washington State Department of Ecology denied a permit renewal request for TEDF due to the inability to adequately assess the impact of TEDF discharge water on the underlying groundwater quality. TEDF overlies the relatively impermeable Ringold Lower Mud (RLM) unit, whose upper contact lies in the vadose zone approximately 30 m below ground surface and approximately 10 m above the water table boundary. The RLM is assumed to isolate TEDF discharge water from the natural groundwater aquifer, which is monitored using wellbores screened below the RLM. Therefore, samples collected from monitoring wells near TEDF are not considered representative of TEDF discharge water. Rather, TEDF discharge water is assumed to mound on top of the RLM to form a perched aquifer. To support permitting of the TEDF, a new monitoring well is required that can be used to sample water from the presumed perched water aquifer above the RLM. Ideally, the screened section of the well would be located at the peak of the perched water mound(s), which presumably occurs at the point of maximum vertical flux from TEDF to the RLM, or equivalently where the dominant infiltration flow paths reach the RLM. This report describes how time-lapse 3D electrical resistivity tomography (ERT) was used in conjunction with nominal TEDF discharge operations to image the dominant flow paths from each pond to the RLM. Results are summarized in Figure ES.1. Figure ES.1A shows a satellite image of the TEDF overlain by an array of surface ERT electrodes. The solid and dashed black circles denote the zones of maximum vertical flux at the RLM within the south and north ponds, respectively, and presumably the regions where perched water peaks during discharge. Figure ES.1B shows time-lapse difference imaging results approximately 15 days after switching discharge from the south pond to the north pond. Blue iso-surfaces beneath the north pond denote regions of increasing bulk electrical conductivity caused by increasing saturation due to infiltrating water. Red iso-surfaces beneath the south pond denote regions that were previously saturated during the south pond discharge and are now de-saturating, causing a decrease in bulk electrical conductivity. In both cases, the zones of maximum change mark the dominant flow paths to the RLM. Figure ES.1C shows time-lapse imaging results approximately 15 days after switching discharge from the north pond to the south pond. In this case, blue iso-surfaces mark the dominant flow paths to the RLM from the south pond. The red iso-surfaces mark the dominant flow paths that existed during discharge to the north pond. The regions of maximum change in bulk conductivity (due to saturation or desaturation) that mark the primary flow paths are equivalent in both cases and denoted by the dashed solid and black circles. If a perched water zone forms on the RLM, it is likely to mound within or near the dashed circle during discharge to the north pond, and in the solid circle during discharge to the south pond. In other words, if perched water mounding occurs, the circles mark the optimum locations suggested by the ERT imaging for monitoring boreholes to be placed, enabling samples to be collected that are representative of TEDF discharge impacts on groundwater quality.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Conifer water use patterns in the East River Watershed, Colorado US, based on stable water isotopes and cellulose isotopes

This data package contains a series of datasets aimed at understanding the seasonal origins of water used by the dominant conifer species, Abies lasiocarpa and Picea engelmannii, in the East River Watershed. There is a distinct difference in the stable isotopic ratio of summer rain and snowpack and thus by tracking the isotopic ratio of the xylem water in trees, it is possible to separate when a tree is using snow vs. summer rain. Following typical protocols, we sampled and extracted water from soils in the "Research Meadow" near Gothic, CO within the East River Watershed through the 2016 growing season. The stable isotopic ratio of these waters were then measured. Using values of the isotopic ratio of precipitation and snowpack from that season, we develop a mixing model to show how the trees transitioned from use of snowpack to summer in late July. We extended the information on the seasonal origins of water from 2016 back until 1980 by using measurements of the isotopic ratio of cellulose from trees in the Research Meadow. The isotopic ratio of tree ring cellulose records a signal both of the Vapor Pressure Deficit at the leaf-atmosphere boundary and also the source water for the trees. We concluded from this extended analysis that the trees underwent transitions between periods where snow was the dominant water source and summer rain was the dominant water source. More details on this analysis can be found in the publication: Persistence and Plasticity in Conifer Water Use Strategies. JGR Biogeoscience. DOI 10.1029/2018JG004845. The dataset specifically includes stable isotope measurements of xylem and soil water for Spruce and Fir trees at the Rocky Mountain Biological Lab's Research Meadow as well as snowpack and precipitation stable isotopes from nearby National Atmospheric Deposition Program sites. Associated meteorological data is included, which is needed to understand the source water for the trees based on the cellulose measurements.This dataset was updated in June 2021 also include intra-ring measurements of the d18O and d13C of cellulose these same species of trees at the Ziegler Reservoir site in Snowmass, CO. These are listed as files: "Interglaciald18OCellulose.csv", "Interglaciald13OCellulose.csv" and "Modernd13CCellulose.csv". The intent of these measurements was to assess whether common conifers (abies and picea) had undergone ecophysiological or ecohydrological changes during the last period in Earth's history was warmer than today, i.e. the last Interglacial (116,000 to 130,000 years ago). This site was chosen because it is a location where subfossil wood from this critical warm period was discovered. We measured the d18O and d13C of the subfossil trees following the same protocol as the modern samples which included chemical extraction of cellulose and isotope ratio mass spectrometry. We found that the trees showed little difference in water use efficiency but utilized more summer rain during the interglacial period. This analysis and detailed methods are provided in the following manuscript: Wetter summers mitigated temperature stress on Rocky Mountain forests during the last interglacial warm period which is in revision at GRL but is available as a preprint here: 10.1002/essoar.10506740.2

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

E-Beam Irradiation Beamline at Jefferson Lab for Wastewater Treatment

Electron beam (e-beam) irradiation is an advanced method for removing the emerging organic contaminants in wastewater, such as 1,4-dioxane, and per- and polyfluoroalkyl sub?stances (PFAS), which have the potential to be regulated in the near future but are difficult to degrade by conventional treatment methods. This dissertation was based on a collabo?rating study between Jefferson Lab (Jlab) and Hampton Roads Sanitation District (HRSD) to evaluate the impacts of e-beam irradiation on the degradation of 1,4-dioxane and PFAS. It presents the detailed design of an e-beam irradiation beamline, the beamline simulation using general particle tracer (GPT), the installation, and the successful commissioning. The beamline is an extended section to the Upgraded Injector Test Facility (UITF) at Jlab, which is a continuous wave (CW), superconducting radio frequency (SRF) linear accelerator with an energy up to 10 MeV. To let the sample volume receive a significant and uniform dose distribution, the sample target was designed by investigating the dose distribution simulated with a Monte-Carlo code, FLUKA. The optimized beam energy was 8 MeV and the beam current for irradiation was ? 100 nA. With the use of a solenoid and a raster, the electron beam was expanded to the optimized size, 1? ? 15 mm, at the sample target. This dis?sertation also presents the irradiation experiments for 64 1,4-dioxane samples and 48 PFAS samples in different water matrices, including real wastewater, which were prepared and an?alyzed by HRSD. The absorbed doses of samples were obtained by designing a new method that combines the FLUKA simulation and dose mapping experiments. The irradiation re?sults showed that around 95% of 1,4-dioxane was removed at a low dose of ? 2 kGy, and PFAS was possibly removed at a lower dose compared to similar research. This work is a first implementation of SRF technology for wastewater irradiation. It pro?vides a valuable new research platform for wastewater remediation. This will be in support of future industrial applications of advanced SRF technologies and better understanding of the effect of e-beam irradiation on wastewater or water treatment.

Li, Xi↗
DOE OSTI2025

Extending the Nuclide Inventory Validation Basis for High-Burnup Fuel with New Radiochemical Assay Data

Efforts are underway at Oak Ridge National Laboratory to improve the nuclide inventory validation basis for spent nuclear fuel at high burnups. Recently conducted radiochemical assay experiments provided new measurement data for nine samples of fuel irradiated in a pressurized water reactor, with estimated sample burnups in the 30 to 70 GWd/t range. This type of destructive assay data is essential for validating computational methods, tools, and nuclear data applied in nuclear safety analyses and for improving our understanding of the bias and uncertainty in code predictions. The measurement data include key actinides and fission products that span a gamut of needs and interests for nuclear science and engineering applications in criticality safety, reactor physics, nuclide inventory, decay heat, and radiation shielding. The SCALE 6.3 code system with ENDF/B-VII.1 cross-section libraries was used to simulate the irradiation histories of the measured fuel samples. The calculated nuclide concentrations are compared to corresponding measurement data. The significance of the comparisons is discussed, emphasizing how the addition of the new measurement data fills gaps in the validation basis at high burnups and contributes to the decrease in bias and uncertainty for predicted nuclide concentrations. The discussion addresses the effect of the sample burnup used in the simulation—which is based on reactor operator records or on calibration to measured data for burnup indicator fission products—on the validation results.

Nuclide inventory↗
DOE OSTI2023

Estimating Vadose Zone Flow Properties at the 100 K-East Soil Flushing Site Using ERT Monitoring Data: 2023 Interim Report - 100 KE Soil Property Estimation

In situ soil flushing is being using at the Hanford 100 K-East (100 KE) area to transport mobile chromium contamination in the vadose zone to the water table, where it can be collected and treat through pump and treat operations. The efficacy of soil flushing is directly related to the volume of clean water that infiltrates through contaminated soils. In practice, it is infeasible to comprehensively monitor which regions of the vadose zone are being infiltrated through direct sampling of pore water. Consequently, there can be significant uncertainty about which regions of the subsurface have been treated, especially if hydrogeologic conditions are favorable for the development of unstable flows and preferred flow pathways through the vadose zone (Jarvis, Koestel, and Larsbo 2016). Current approaches for quantitative monitoring of soil flushing performance rely on contaminant concentration measurements collected from extractions wells. There is no quantitative information on the volume of flush water delivered to targeted regions of the vadose zone at the Hanford Site, leading to significant uncertainty regarding source term removal and long-term impacts to groundwater. If the subsurface hydrogeologic properties at the 100 KE Area were adequately known, qualitative metrics of soil flushing performance could be simulated, thereby negating expenses required to obtain quantitative performance information through borehole drilling/sampling. However, estimating in situ hydrogeologic properties has long proven elusive, due primarily to a lack of sufficient information to constrain heterogeneous property estimates to a useful degree of certainty. Estimating vadose zone hydrogeologic properties is particularly challenging due the dependence of hydraulic conductivity on saturation. This report describes progress toward a first-of-its-kind demonstration using surface time-lapse 3D electrical resistivity tomography (ERT) monitoring data to estimate the hydrogeologic properties that control flush water transport at the 100 KE soil flushing site. The ultimate objective is (1) to verify sufficient information exists in the ERT monitoring data to adequately resolve vadose zone hydraulic properties, and (2) generate a “digital twin” (i.e., a numerical simulator) that can be used to simulate the amount of flush water that has been delivered to each targeted region of the vadose zone, and thereby assess the efficacy of flush water delivery. Resulting performance estimates can be used in leu of comprehensive borehole drilling and direct sampling (or wellbore logging) that would otherwise be required to obtain the same information.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Water Dynamics of Superacid Aromatic Proton Exchange Membranes for Fuel Cell Applications

Proton exchange membranes (PEMs) with high conductivity are of critical importance for the development of fuel cells, electrolyzers, and other electrochemical technologies. In this research, poly(1,1,2,2-tetrafluoro-2-phenoxyethane-1-sulfonic acid) (PTPS) with an aromatic polymer main chain and a perfluorinated superacidic polymer side chain was synthesized. The water dynamics of PTPS were characterized across various length scales using a combination of Fourier-transform infrared spectroscopy (FTIR) and nuclear magnetic resonance (NMR) and compared with Nafion, a standard perfluorinated PEM, and sulfonated poly(ether sulfone) (SPES 40), an aromatic PEM without perfluorinated superacid side chains. The T 1 and T 2 relaxation times of water in the samples probed by NMR increase from SPES 40 to PTPS to Nafion, indicating that the local motion of the water molecules becomes faster. This trend corresponds well with the relative fraction of bulk-like water determined using FTIR. At larger length scales, the diffusion coefficient of water was characterized using pulsed-field gradient NMR (PFG-NMR). At a longer diffusion time (Δ = 100 ms), PTPS has a smaller diffusion coefficient compared with both Nafion and SPES 40, due to restricted diffusion, and this effect is also evident in the proton conductivity of the hydrated membranes. From this comparison, it is apparent that the aromatic backbone and side chain type greatly influence the water dynamics in PEMs at various length scales and the water dynamics significantly impact the bulk proton conductivity. These insights will lead to new designs for aromatic PEMs and help to identify bottlenecks in current materials.

25 ENERGY STORAGE↗
DOE OSTI2023

NEWTS Database Dashboard

The NEWTS (National Energy Water Treatment and Speciation) database dashboard displays sites across the nation where energy-related wastewater stream samples and composition data have been collected. Using the dashboard, community leaders and the public will be able to quickly explore and obtain sample data from locations displayed on a map where various government agencies collect and analyze water samples from energy-related wastewater streams.

Aqueous Chemistry↗
DOE OSTI2026

Surface water nitrogen and sediment potential nitrate reduction rates, nutrient stocks, and stable isotopes from nine wetlands at the Tanglewood Biological Station, Alabama

This dataset supports a broader study investigating wetland hydrologic and biogeochemical responses to inundation disturbances. Bimonthly surface water and sediment sampling events were conducted at nine wetland sites situated within the Tanglewood Biological Station in Alabama from April 2023 to February 2024. The contents included in the data package include surface water nitrogen (nitrogen oxides and ammonium) and sediment potential nitrate reduction rates (measured as potential denitrification and dissimilatory nitrate reduction to ammonium processing), nutrient stocks (total carbon, total nitrogen, and organic matter), and stable isotopes (carbon and nitrogen). Water level data related to each wetland location can be found at https://data.ess-dive.lbl.gov/view/doi:10.15485/2530253 (Kirker et al., 2024) and related water geochemistry data can be found at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/3001967 (Forbes et al., 2025). In addition to a readme, this data package also includes a file-level metadata (FLMD) file that describes each file and a data dictionary (DD) that describes all column/row headers and variable definitions. This dataset is comprised of (1) file-level metadata; (2) data dictionary; (3) field metadata and international generic sample numbers (IGSNs); (4) readme; (5) the field protocol; and (6) a subfolder with sample data. The sample data subfolder contains (1) sediment potential denitrification rate, (2) sediment potential dissimilatory nitrate reduction to ammonium (DNRA) rate, (3) sediment total carbon and nitrogen content, (4) sediment stable isotopes (delta nitrogen-15 and delta carbon-13), (5) sediment percent organic matter, (6) surface water nitrous oxides, (7) surface water ammonium, and (8) methods codes. All files are .csv or .pdf.

Ammonium↗
DOE OSTI2021

Stem hydraulic conductivity and vulnerability to cavitation for 26 tree species in Panama

Stem hydraulic conductivity and vulnerability to cavitation were measured for 26 tree species located in Panama. The data were generated to better understand the ecology of the focal tree species. Complementary NGEE-Tropics datasets for these species include sap flow, leaf-level gas exchange, and leaf water potential. Stem samples were collected from distal branches of canopy trees, brought to the Smithsonian Tropical Research Institute laboratory in Gamboa, Panama, and allowed to dry to various water potentials before measurements. For each species, a Weibull function was fit to the 90% quantile of the relationship between stem area specific hydraulic conductivity (Ks) and stem water potential. From these functions, maximum Ks and vulnerability parameters were derived. The data files in the package include raw data, derived parameters, and the R script used for analysis.

54 ENVIRONMENTAL SCIENCES↗