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Verification and Validation of a Modified Numerical Algorithm for Simulation of Transient Unconfined Groundwater Flow

This report extends verification and validation testing of the NUFT package of codes (Nitao 2000a,b) to the US1P module of code designed for simulation of single-phase mixed or “coupled” saturated and unsaturated (or “variably saturated”) groundwater flow. Importantly, the verification and validation testing of US1P in this report includes performance evaluation of a modified numerical algorithm that was not included in prior quality assurance (QA) of the NUFT package by Carle et al. (2014) for Underground Test Area (UGTA) project activities, which are directed at assessment of radionuclide contamination in groundwater sourced from underground nuclear test locations at the Nevada National Security Site (NNSS). An immediate purpose of this report is to provide QA for ongoing large-scale, three-dimensional (3-D) groundwater flow modeling of transient water levels associated with longterm water supply pumping and underground nuclear testing at the NNSS (Jackson and Fenelon, 2018; Jackson et al., 2021). For UGTA activities, the QA refers to the standards of ASTM (1996) for verification and validation testing of groundwater modeling codes.

54 ENVIRONMENTAL SCIENCES↗

Calculation of Groundwater Pathway Radiological Dose for the Hanford Site Composite Analysis Null-Space Model Carlo Flow Model Set

The purpose of this environmental calculation file (ECF) is to present the results of the exposure route-specific and total radiological dose assessments for the groundwater pathway based on the null space Monte Carlo (NSMC) groundwater concentrations as a part an uncertainty analysis for the updated Hanford Site Composite Analysis (CA). The Plateau-to River (P2R) Groundwater Model (CP-57037, Model Package Report: Plateau to River Groundwater Model Version 8.3) is the CA base case that simulates the fate and transport of radiological contaminants within the saturated zone of the uppermost aquifer beneath the Central Plateau and downgradient to the Columbia River. An NSMC analysis was performed to identify and quantify the potential uncertainties associated with the P2R Model. The result of the NSMC analysis is a set of flow and transport simulations that provide an estimated range of possible outcomes that are used to quantify the uncertainty associated with the simulated base case concentrations.

54 ENVIRONMENTAL SCIENCES↗

Guidance for Monitoring Passive Groundwater Remedies Over Extended Time Scales

Passive remediation can be appropriate where natural processes and actions such as institutional controls mitigate exposure to contaminated groundwater, achieving remedial action objectives and protectiveness of human health and the environment. Monitored natural attenuation (MNA) is a prevalent passive remediation strategy supported by a regulatory framework and monitoring design guidance. However, long-term passive remedies are usually selected in combination with at least one active remedy, such as source removal, in situ treatment, or pump-and-treat, functioning as a complementary method for achieving remediation objectives and meeting the applicable statutory and regulatory requirements. However, MNA and existing monitoring guidance primarily target situations where the remedial action objectives are met within a few decades. When time scales for passive remediation extend to many decades (50 years or more), a corresponding change in monitoring strategy is needed to adapt to the extended time scale. This document provides guidance for implementing an extended-scale monitoring (ESM) approach appropriate for long-duration passive remediation. Extended-scale is defined in this document with respect to time (i.e., a long duration of remediation) and a large enough physical scale such that downstream receptors will not be impacted within the remediation timeframe. ESM applies to slow-moving groundwater contaminant plumes and emphasizes monitoring primarily for potential exposure pathways. For this approach, the primary monitoring objective is to demonstrate that the plume diminishes before reaching the receptor zone or point of compliance and/or a receptor does not receive concentrations above the compliance limit. While the overall objectives of protecting human health and the environment are the same as for plumes where remediation can occur over a shorter time period, the time scales between decisions are longer and the dynamics of plume evolution are slower. To this end, a scenario-based strategy is described for different plume and source conditions, defining a containment and receptor zones. The containment zone is the area where the risk of exposure to groundwater contamination can be mitigated (e.g., through institutional controls) during the remediation time period. The receptor zone is defined as the area where exposure to groundwater contamination cannot be mitigated and compliance concentration standards must be met. Within the containment zone, slow plume migration may occur, leading to concentrations that exceed compliance standards. However, where distance to the receptor zone is large relative to plume migration and attenuation rate, this approach can be protective of the receptor zone. Selection of a long-duration passive remedy needs to be based on sufficient understanding of contaminant sources, hydrogeology, and contaminant plumes. A strong technical basis, supported by predictive analysis, is recommended to substantiate that contamination is expected to stay within the containment zone during the active remediation and attainment phase of the remedy, and diminish to meet compliance standards within the extended timeframe prior to reaching the receptor zone (e.g., many decades or even centuries). The ESM approach is based on verification of plume behavior and not on detailed plume dynamics. Monitoring is conducted to confirm expected behavior with an emphasis on exposure pathways to verify that plumes remain contained in areas where the protectiveness objectives can be met. ESM should not be adopted if there is significant risk of the plume extending beyond the containment zone. Given the slow movement within the containment zone, less frequent sampling is required relative to approaches used for conventional-scale remediation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Study of an Unrefined Humate Solution as a Possible Attenuation-based Remedy for Uranium Contamination in Acidic Groundwater - 20351

The Savannah River Site (SRS), joined the environmental cleanup program in 1981 after the Cold War, and was designated as a hazardous waste management facility. About 1.8 billion gallons of acid wastes were disposed into the F/H Area Seepage Basin that included many radionuclides and dissolved metals, resulting in highly contaminated groundwater plumes with pH of 3 - 5.5. The acidity of the plumes contributes to the mobility of several constituents of concern (COC) such as H-3, U-238, I-129, and Sr-90 for the F-Area plume and H-3, Sr-90 and mercury for the H-Area plume. An active treatment (pump-and-treat and re-injection) system was constructed and put in place in 1997 to address the removal of metals and radionuclides from the contaminated groundwater. As remediation projects advanced, active treatments were transitioned to more passive or enhanced-passive approaches such as the subsurface barrier with base injection system, which has been controlling the mobility of contaminants. However, new and more efficient attenuation-based remedies are always sought. Several studies have proposed that humic substances can be used to remediate sites contaminated with heavy metals by creating a permeable reactive barrier. Humic substances (HS) are major components of soil organic matter. HS are polyfunctional organic macromolecules formed by the chemo-microbiological decomposition of biomass or dead organic matter. These substances are usually divided into three main fractions: humin (insoluble at all pH values), humic acid (soluble at pH greater than 3.5), and fulvic acid (soluble at all pH values). Humic substances are major components of the soil at SRS and, in addition, are also helpful in the removal process of uranium. This research focuses on uranium (VI), which is a key contaminant of concern in the F-Area groundwater plume. The interaction of uranium with sediment in the presence or absence of humic substances involves complex mechanisms that are not yet well understood. The interaction of U(VI) with humic substances can affect the adsorption of U on sediment, altering its mobility in the subsurface. The objective of this study is to study the mobility of uranium in the presence of humic acid and to determine if sediments amended by humic acid can enhance the sorption of heavy metals onto sediments. In this research, experiments were conducted using background (clean) F-Area aquifer sediments to understand and predict uranium mobility. A blended material, humate, containing both humic and fulvic acids and a chemically modified humate (KW15 modified humic or mod-HA) was studied as a possible amendment for uranium remediation in SRS groundwater. Batch experiments were conducted in triplicates using 20 ml of aqueous suspension in DI water containing SRS sediment and mod-HA and studied the effect of pH, kinetics of humate sorption onto SRS sediment and also studied the sorption of uranium onto mod-HA amended SRS sediment. Results indicate that mod-HA amended sediment increases uranium removal significantly. (authors)

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Success Using A Granular-Activated Carbon Filtration Swab to Rehabilitate Westbay{sup R} Multi-level Groundwater Monitoring Wells at the INL - 20544

In November 2015, tetrachloroethylene (PCE) was discovered in groundwater samples collected from a Westbay{sup R} multi-level groundwater monitoring well at the Idaho National Laboratory (INL).a Subsequent investigation determined that PCE was not present in the groundwater. The detected PCE was instead due to inadvertent contamination of the internal tubing fluid in the Westbay well-monitoring system, which is isolated from the surrounding groundwater. Further investigation showed that three of the 11 Westbay wells at the INL contained PCE-contaminated tubing fluid at concentrations above the U.S. Environmental Protection Agency's maximum contaminant level for drinking water (5 μg/L). Loose sediment at the bottom of some Westbay wells was also found to contain PCE; the three wells were then identified for rehabilitation as part of the INL well maintenance program. The unique construction of the Westbay wells - i.e., the small diameter (5.72 cm [2.25 in.]) and the depths of the tubing fluid ranging from 144.8 to 419 m (475 to 1,376 ft) below ground surface - posed unique challenges to the rehabilitation. Because the tubing fluid provides structural integrity, the fluid cannot be removed and then replaced without damaging the integrity of the Westbay well. Additionally, the small diameter of the systems and the associated depths limit the availability of equipment that can be used for the rehabilitation. After an evaluation of potential methods, it was determined that the use of an in-well, custom-fabricated, granular-activated-carbon filtration swab deployed via a wire line would provide the safest and most cost-effective method for rehabilitation. Westbay well rehabilitation started at well MIDDLE-2051 in late June 2018 and paused in December 2018 for the season. The PCE concentration in the tubing fluid at MIDDLE-2051 was initially reduced to a maximum concentration of 3.81 μg/L from a maximum of 642 μg/L, while the concentration of PCE in the sediment had been reduced from 5,360 to 2,270 μg/kg. Sampling was performed at MIDDLE-2051 again in August 2019, and the tubing fluid increased to a maximum concentration of 45.4 μg/L, while the concentration in the sediment decreased further to 1,890 μg/kg due to desorption of PCE from the sediment to the tubing fluid. Rehabilitation resumed at well MIDDLE-2050A in late August 2019, and the PCE concentration in the tubing fluid had been reduced to a maximum concentration of 19.0 μg/L. Although the method has been shown to be time-consuming, it has proven to be effective and safe for personnel performing the work and to the integrity of the well. Future sample data results at all wells will help determine an estimated completion of the rehabilitation. (authors)

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Groundwater and river water elevations and temperature from 2017 to 2022 across Meander Z in the East River Watershed, Colorado

This dataset includes groundwater and river water elevations and temperature data collected in the East River watershed located in the Upper Colorado River Basin. The data were collected in order to investigate the coupling between hydrology and biogeochemical processes in the floodplain. Data was collected at ten groundwater locations in Meander Z (MZ), located just upstream of the confluence with Brush Creek and two river locations directly adjacent to Meander Z from 2017-2019. From 2019-2022, data was collected at five groundwater locations in Meander Z. Note that location names, not location identifiers (IDs), are used in the related publication Dewey et al. (2022). Both location IDs and names are included in data files. Files in this dataset include the main data files for each location zipped into a single folder (waterlevel_data.zip), an installation methods file describing sensor installation (InstallationMethods.csv), a file containing field metadata including GPS (Global Positioning System) coordinates and ground surface elevations (transducers_locations.csv). This dataset also includes a file-level metadata (flmd.csv) file that lists each file contained in the dataset with associated metadata and a data dictionary (dd.csv) file that contains column/row headers used throughout the files along with a definition, units, and data type. This dataset conforms to the ESS-DIVE hydrological reporting format. 2026-04-27 Update: The river water elevation data files (ER-MZR1.csv and ER-MZR2.csv) were corrected. The data for these two locations were inadvertently swapped in the original published data. This work was supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231.

54 ENVIRONMENTAL SCIENCES↗

Improving Long-term Monitoring of Contaminated Groundwater at Sites where Attenuation-based Remedies are Deployed

This study presents an effective approach to tackle the challenge of long-term monitoring of contaminated groundwater sites where remediation leaves residual contamination in the subsurface. Traditional long-term monitoring of contaminated groundwater sites focuses on measuring contaminant concentrations and is applicable to sites where contaminant mass is removed or degraded to a level below the regulatory standard. The traditional approach is less effective at sites where risk from metals or radionuclides continues to exist in the subsurface after remedial goals are achieved. We propose a long-term monitoring strategy for this type of waste site that focuses on measuring the hydrological and geochemical parameters that control attenuation or remobilization of contaminants while de-emphasizing contaminant-concentration measurements. Furthermore, we demonstrate how this approach would be more effective than traditional long-term monitoring, using a site in South Carolina, USA, where groundwater is contaminated by several radionuclides. A comprehensive enhanced attenuation remedy has been implemented at the site to minimize discharge of contamination to surface water. The immobilization of contaminants occurs in three locations by manipulation of hydrological and geochemical parameters, as well as by natural attenuation processes. Deployment of our proposed long-term monitoring strategy will combine subsurface and surface measurements using spectroscopic tools, geophysical tools, and sensors to monitor the parameters controlling contaminant attenuation. The advantage of this approach is that it will detect the potential for contaminant remobilization from engineered and natural attenuation zones, allowing potential adverse changes to be mitigated before contaminant attenuation is reversed.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

A coupled hydrologic-agroeconomic modeling framework to evaluate adaptive irrigation strategies under groundwater withdrawal restrictions

Growing groundwater scarcity requires integrated tools to capture interactions among hydrology, agricultural production, markets, and land use. This study presents an iterative modeling framework that couples hydrologic, crop-yield, and economic models to capture two-way feedback among water availability, agricultural production, and market responses under groundwater constraints. The primary goal of this paper is to describe the methodological development of the coupled framework and demonstrate the significance of iterative model interaction. Applied to the western United States, we evaluated adaptive responses to restricting groundwater use beyond recharge levels, represented through changes in irrigation management and expansion or shrinkage of crop markets through land reallocation. Results demonstrate that the iterative coupling converges to stable equilibrium responses within 10 iterations. At equilibrium, deficit irrigation emerges as the dominant adaptation strategy in California, with irrigation levels stabilizing at approximately 70% of full irrigation demand, while Arizona and New Mexico experience stronger yield sensitivities. Early iterations produce commodity price increases of up to 10% for fruit and vegetable crops; however, these responses moderate as land allocation and production patterns adjust across regions. Deficit irrigation and spatial reallocation of irrigated land partially offset production losses, with variability observed across different states: California maintains yields primarily via deficit irrigation, whereas Arizona and New Mexico will rely mainly on reducing irrigated area to absorb the shock. By capturing feedback between biophysical and economic processes, this approach highlights how irrigation strategies and land-use decisions evolve under water stress and provides a transferable platform for evaluating water management policies.

54 ENVIRONMENTAL SCIENCES↗

Groundwater-native Fe(II) oxidation prior to aeration with H 2 O 2 to enhance As(III) removal

Groundwater contaminated with arsenic (As) must be treated prior to drinking, as human exposure to As at toxic levels can cause various diseases including cancer. Conventional aeration-filtration applied to anaerobic arsenite (As(III)) contaminated groundwater can remove As(III) by co-oxidizing native iron (Fe(II)) and As(III) with oxygen (O 2 ). However, the As(III) removal efficiency of conventional aeration can be low, in part, because of incomplete As(III) oxidation to readily-sorbed arsenate (As(V)). In this work, we investigated a new approach to enhance As(III) co-removal with native Fe(II) by the anaerobic addition of hydrogen peroxide (H 2 O 2 ) prior to aeration. Experiments were performed to co-oxidize Fe(II) and As(III) with H 2 O 2 (anaerobically), O 2 (aerobically), and by sequentially adding of H 2 O 2 and O 2 . Aqueous As(III) and As(V) measurements after the reaction were coupled with solid-phase speciation by Fe and As K-edge X-ray absorption spectroscopy (XAS). We found that complete anaerobic oxidation of 100 µM Fe(II) with 100 µM H 2 O 2 resulted in co-removal of 95% of 7 µM As(III) compared to 44% with 8.0-9.0 mg/L dissolved O 2 . Furthermore, we found that with 100 µM Fe(II), the initial Fe(II):H 2 O 2 ratio was a critical parameter to remove 7 µM As(III) to below the 10 µg/L (0.13 µM) WHO guideline, where ratios of 1:4 (mol:mol) Fe(II):H 2 O 2 led to As(III) removal matching that of 7 µM As(V). The improved As(III) removal with H 2 O 2 was found to occur partly because of the well-established enhanced efficiency of As(III) oxidation in Fe(II)+H 2 O 2 systems relatively to Fe(II)+O 2 systems. However, the XAS results unambiguously demonstrated that a large factor in the improved As(III) removal was also due to a systematic decrease in crystallinity, and thus increase in specific surface area, of the generated Fe(III) (oxyhydr)oxides from lepidocrocite in the Fe(II)+O 2 system to poorly-ordered Fe(III) precipitates in the Fe(II)+H 2 O 2 system. The combined roles of H 2 O 2 (enhanced As(III) oxidation and structural modification) can be easily overlooked when only aqueous species are measured, but this dual impact must be considered for accurate predictions of As removal in groundwater treatment.

54 ENVIRONMENTAL SCIENCES↗

Short-Term Groundwater Level Fluctuations Drive Subsurface Redox Variability

As global change processes modify the extent and functions of terrestrial-aquatic interfaces, the variability of critical and dynamic transitional zones between wetlands and uplands increases. However, it is still unclear how fluctuating water levels at these dynamic boundaries alter groundwater biogeochemical cycling. Here, we used high-temporal resolution data along gradients from wetlands to uplands and during fluctuating water levels at freshwater coastal areas to capture spatiotemporal patterns of groundwater redox potential (E h ). We observed that topography influences groundwater E h that is higher in uplands than wetlands; however, the high variability within TAI zones challenged the establishment of distinct redox zonation. Declining water levels generally decreased E h , but most locations exhibited significant E h variability, which is associated with rare instances of short-term water level fluctuations introducing oxygen. The E h -oxygen relationship showed distinct hysteresis patterns, reflecting redox poising capacity at higher E h , maintaining more oxidizing states longer than dissolved oxygen presence. Surprisingly, we observed more frequent oxidizing states in transitional areas and wetlands than in uplands. We infer that occasional oxygen entering specific wetland-upland boundaries acts as critical biogeochemical control points. Finally, high-resolution data can capture such rare yet significant biogeochemical instances, supporting redox-informed models and advancing the predictability of climate change feedback.

54 ENVIRONMENTAL SCIENCES↗

3D characterisation and quantification of an offshore freshened groundwater system in the Canterbury Bight

Although offshore freshened groundwater (OFG) systems have been documented in numerous continental margins worldwide, their geometry, controls and emplacement dynamics remain poorly constrained. Here we integrate controlled-source electromagnetic, seismic reflection and borehole data with hydrological modelling to quantitatively characterise a previously unknown OFG system near Canterbury, New Zealand. The OFG system consists of one main, and two smaller, low salinity groundwater bodies. The main body extends up to 60 km from the coast and a seawater depth of 110 m. We attribute along-shelf variability in salinity to permeability heterogeneity due to permeable conduits and normal faults, and to recharge from rivers during sea level lowstands. A meteoric origin of the OFG and active groundwater migration from onshore are inferred. However, modelling results suggest that the majority of the OFG was emplaced via topographically-driven flow during sea level lowstands in the last 300 ka. Global volumetric estimates of OFG will be significantly revised if active margins, with steep coastal topographies like the Canterbury margin, are considered.

54 ENVIRONMENTAL SCIENCES↗

Small and mighty: adaptation of superphylum Patescibacteria to groundwater environment drives their genome simplicity

The newly defined superphylum Patescibacteria such as Parcubacteria (OD1) and Microgenomates (OP11) has been found to be prevalent in groundwater, sediment, lake, and other aquifer environments. Recently increasing attention has been paid to this diverse superphylum including > 20 candidate phyla (a large part of the candidate phylum radiation, CPR) because it refreshed our view of the tree of life. However, adaptive traits contributing to its prevalence are still not well known. Results Here, we investigated the genomic features and metabolic pathways of Patescibacteria in groundwater through genome-resolved metagenomics analysis of >600 Gbp sequence data. We observed that, while the members of Patescibacteria have reduced genomes (~ 1 Mbp) exclusively, functions essential to growth and reproduction such as genetic information processing were retained. Surprisingly, they have sharply reduced redundant and nonessential functions, including specific metabolic activities and stress response systems. The Patescibacteria have ultra-small cells and simplified membrane structures, including flagellar assembly, transporters, and two-component systems. Despite the lack of CRISPR viral defense, the bacteria may evade predation through deletion of common membrane phage receptors and other alternative strategies, which may explain the low representation of prophage proteins in their genomes and lack of CRISPR. By establishing the linkages between bacterial features and the groundwater environmental conditions, our results provide important insights into the functions and evolution of this CPR group.

59 BASIC BIOLOGICAL SCIENCES↗

Utah FORGE: Geochemical Data for Cold Groundwaters and Produced Geothermal Fluids

Geochemical data for cold groundwaters and produced geothermal fluids around the Utah FORGE site. The data is compiled into four tables in the attached Excel File. Table 1 is a compilation of compositions (anions, cations, weak acids, oxygen, hydrogen, and carbon isotopes) for cold groundwaters and produced geothermal waters in the Milford valley, Utah. Table 2 is a compilation of noble gas (He, Ne, Ar) and He and Ne isotopic compositions for cold groundwaters and produced geothermal waters in the Milford valley, Utah. Table 3 provides values for calculated advective and diffusive fluxes of helium. Table 4 provides values of calculated subsurface stored heat between the Opal Mound fault and the Utah FORGE site, which are related to volumes of recently solidified magmatic heat sources.

15 GEOTHERMAL ENERGY↗

Nitrate, ammonium, and DON mass time series output for East River stream, vadose zone and groundwater subwatersheds from HAN-SoMo model

There is a growing understanding of the role that bedrock weathering can play as a source of nitrogen (N) to soils, groundwater and river systems. The significance is particularly apparent in mountainous environments where weathering fluxes can be large. However, our understanding of the relative contributions of rock-derived, or geogenic, N to the total N supply of mountainous watersheds remains poorly understood. This dataset contains model output from the High-Altitude Nitrogen Suite of Models (HAN-SoMo), a watershed-scale ensemble of process-based models to quantify the relative sources, transformations, and sinks of geogenic and atmospheric N through a mountain watershed. Our study is based in the East River Watershed (ERW) in the Upper Colorado River Basin. The East River is a near-pristine headwater watershed underlain primarily by an N-rich Mancos Shale bedrock, enabling the timing and magnitude of geogenic and atmospheric contributions to watershed scale dissolved N-exports to be quantified. Six calibration scenarios were developed to explore equifinality using >1600 N concentration measurements from streams, groundwater, and vadose zone samples collected over the course of four years across the watershed, from 2014-2018. The files in this dataset are named according to which calibration scenario they represent (1, 2, 3, NM1, NM2, and NC), and include daily time series model output of nitrate, ammonium and dissolved organic nitrogen concentrations for all six calibration scenarios described in Maavara et al., 2021, "Modeling geogenic and atmospheric nitrogen through the East River Watershed, Colorado Rocky Mountains," PLOS One (in press), for the stream, vadose zone, and groundwater in the five discretized subwatersheds: Rustlers Gulch, Copper Creek, East above Quigley (EAQ), the Middle East River (ME), and Lower Triangle (LT) from Gothic to the Pumphouse. The READ_ME.txt file includes details on units and naming conventions in each of these files. Model files are in .mat format, to be opened in MATLAB.

54 ENVIRONMENTAL SCIENCES↗

Groundwater and surface water head from 2019 to 2022 at the Tims Branch in Savannah River Site (SRS), South Carolina.

This dataset contains groundwater and surface water head measurements for investigating hydro-biogeochemical processes in Tims Branch at the Savannah River Site, SC. Water levels were monitored using pressure transducers installed in surface water gauges and piezometers across three subsites in Tims Branch, identified as Wfloc, Snon (Snon1 and Snon2), and Sfloc. A barometric pressure logger was deployed in piezometers to correct pressure transducers from atmospheric pressure. Manual water level measurements were taken to calibrate transducer data. The dataset consists of at least paired groundwater and surface water head time series for each subsite, provided as individual CSV files. These data support analyses of surface-groundwater interactions, hydrologic controls on redox processes, and broader synthesis of wetland hydrology at the Savannah River Site.

ESS-DIVE CSV File Formatting Guidelines Reporting ↗

Data From: "Warming and snow loss increase reliance on old groundwater in a Colorado River headwater"

This repository contains the data and code associated with the paper titled "Warming and snow loss increase reliance on old groundwater in a Colorado River headwater," published in Nature Geoscience, 2026. This study seeks to answer how various ages of groundwater interact with mountainous streamflow in mountainous headwaters such as the East River. It includes various model-data processing scripts, primarily for ParFlow-CLM analysis of simulated water years 2015-2021, and two numerical warming experiments (+2.5 and +4.0 degrees C), including run scripts, forcing scripts, and post-processing, as well as comparison to observation datasets, detailed below. This data requires the use of R (.r, .rmd), Python (.py), Jupyter Notebook or Jupyter Lab (.ipynb), ParFLOW-CLM, EcoSLIM. Further information on the use of all file formats mentioned below (e.g. .tff. .nc) are provided within the associated scripts and directory where the files are located. Contents & Usage ASO/: ​​Contains the bash and python scripts used to convert airborne snow observatory (ASO) data (ASO, 2023) in various data formats (georeferenced tiff file, NetCDF, UTM, and to latitude/longitude) then regrided to the ParFlow equivalent grid. Output data are in regrid_regll_data.zip and subsequently visualized and analyzed in plot_and_compare.py for Supplementary Figures A14 and A15. The wksht_ASO_comparison.xlsx spreadsheet is used to calculate the data for Supplementary Figure A16. EcoSLIM/: Contains the scripts and input files to run the EcoSLIM particle tracking simulations (/run_scripts) and the post-processing python script (/plot_scripts/eco_agedist_plots.ipynb). Jasechko et al./: Contains the jupyter notebook (Extract_Elevation.ipynb) to determine the outlet elevations of the 260 watersheds used in Jasechko et al. (2016), and the corresponding table, Table_S1_Watersheds_alt.csv. Used to create Supplementary Information Figure A2. PLM_Wells/: Contains the QA/QC-ed groundwater level time series of the PLM-1 and PLM-6 Monitoring Wells from Faybishenko et al. (2023), reformatted to water years used for Supplementary Figures A19 and and A20. ParFlow/: Contains the input files and run scripts to run ParFlow-CLM (/run_scripts), the python and tool command language (Tcl) scripts to create and distribute the ParFlow forcing simulation files (/forcing), and various scripts and intermediary files to analyze the model outputs (/post_process). SQUIRE/: Contains the processing scripts and intermediary files for the Surface QUantitatIve pRecipitation Estimation (SQUIRE) data (Grover, 2023) used to generate Supplementary Figure A18. USGS_Streamflow/: Contains the raw and gap-filled United States Geological Survey streamflow data (U.S. Geological Survey, 2026) used at the Almont station (site number 09112500). Gap-filling is performed in the R script with data from the Taylor station (site number 09110000). (/USGS_09112500_EAST_RIVER_AT_ALMONT_GAP_FILLED/code_almont_streamflow_gap_fill.Rmd). discharge/: Contains the gap-filled discharge data at the Watershed Function SFA East River pumphouse site (Newcomer et al., 2022) used to generate Supplementary Figure A13 and to compute hourly Nash-Sutcliffe model efficiency coefficients (NSE) in Table A4. snotel_and_flux_tower/: Contains the snow telemetry data (U.S. Department of Agriculture, 2024) from the Butte (site ID 380) and Schofield (site ID 737) stations, reformatted by water year, accessed with the snotelr R package. Used to create Supplementary Figure A17. Also contains the flux tower observational data (FluxTower_Pumphouse_ESS-DIVE.ET_only.h.txt) from Ryken et al. (2022) and sap flux transpiration data (MaxB_Transpiration_5Sites.daily_sums.h.txt) from Ryken (2021), used to create Supplementary Figures A22 and A23, respectively. Raw EcoSLIM model outputs are in excess of 24TB, and are stored on National Energy Research Scientific Computing Center (NERSC) and publicly available via the external link provided in the paper.

atmospheric warming↗

Revised Kimberlina Groundwater Simulations

Kimberlina Groundwater Qaulity Simulations (Version 3: 2015 October) by Lawrence Livermore National Labratory. Submitted to the EDX team at the National Energy Technology Laboratory for research use. This dataset contains 562 updated groundwater quality simulations based on the Kimberlina site. It is a six-layer model including the aquifers and aquitards inbetween the ground surface and the reservoir. The input files and associated leakage information for these simulations are included in the zip file "nrap_kim_well31_fluxes and inputs.tar.gz". These 562 simulations are the successful results out of 1000 monte carlo simulations, with time length greater than 5 years. Each simulation consists 6 output files, therefore, there are 3372 files (6*562) in total. One single example simulation of full time length (200 year) is also provided in the zip file "single_simulation_200yr_sim0012.tar.gz". These 6 groundwater quality parameters are: - pH (use absolute value) - TDS (mg/kg) - Pressure (Pa) - CO2 Liquid Saturation (fraction range 0.0-1.0) - CO2 Gas Concentration (mol/L) - CO2 Liquid Concentration (mol/kg) Their correponding file names, take the first simulation for example, are: ph0001.ntab (for pH) , tds0001.ntab (for TDS), usnt0001.p.ntab (for pressure), usnt0001.s_liquid.ntab (for liquid saturation), usnt0001.c_co2_gas.ntab (for CO2 gas concentration) and usnt0001.c_co2_liquid.ntab (for CO2 liquid concentration). Each output file contains at least 19 columns (variables). The total number of columns depends on the simulation time length. The column data include the information of numerical records, geologic location and sizes and the simulated parameter values over time. The first 13 variables are about numerical records and relative geologic information for a simulation grid: 1. index: simulation index 2. i: the ith grid of x-axis 3. j: the jth grid of y-axis 4. k: the kth grid of z-axis 5. element_ref: element type reference 6. nuft_ind: nuft index 7. x: grid location in the x axis direction 8. y: grid location in the y axis direction 9. z: grid location in the z axis direction 10. dx: grid length in the x axis direction 11. dy: grid length in the y axis direction 12. dz: grid length in the z axis direction 13. volume: volume of the simulation grid The rest (14, 15, 16...) variables are the simulated parameter values over time, take pH as an example, are: 14. ph000y: initial pH value. 15. ph001y: simulated pH value at the end of the 1st year. 16. ph002y: simulated pH value at the end of the 2nd year. ... (and so on)... The zip input files have the input fluxes of brine and CO2 (in kg/s) allocated to model layers 1,2,3 and 5 (layers 4 and 6 are assumed to be no-flow aquitards) through the following nodes: (src1 WELL 7 7 25 25 10 32) #Etchegoin (src2 WELL 7 7 25 25 33 72) #Macoma Chanac (src3 WELL 7 7 25 25 73 83) #Santa Margarita Mclure (src4 WELL 7 7 25 25 84 89) #Fruitvale Round Mountain (aquitard) (src5 WELL 7 7 25 25 90 96) #Olcese Sand (thief zone) (src6 WELL 7 7 25 25 97 99) #tremblor Freeman (aquitard) ex: brn1 is assigned to src 1 from i=(7,7), j=(25,25), k=(10,32) Edited by Ya-Mei Yang at National Energy Technology Laboratory

brine leakage↗

Colloid-Facilitated Actinide Transport in a Cementitious-Impacted SRS Groundwater

The objective of this report is to provide a literature review relevant to the question of whether colloid facilitated transport of plutonium is enhanced in a cementitious groundwater system on the Savannah River Site (SRS). Contaminant transport is commonly described as taking place in a system with a mobile aqueous phase and an immobile solid phase. There has been an increasing awareness of a third phase, a mobile solid phase, also referred to as a mobile colloidal phase. Mobile colloids consist of organic and/or inorganic submicron-particles that move with groundwater flow. When radionuclides are associated with the mobile colloids, the net effect is that radionuclides can move faster through the subsurface system than would be predicted by transport models that do not include mobile colloids. It is important to distinguish between subsurface colloids and subsurface mobile colloids. The subsurface environment includes an enormous reservoir of colloids, but only a tiny fraction, if any, are mobile. Mobile colloid formation is commonly described as involving a three-step process: genesis, stabilization, and transport. It was concluded that there is a strong likelihood that submicron colloids of plutonium exist near the source term, (i.e., the genesis step is likely completed). While such particles have not been directly detected, it is highly likely that plutonium could either attach to submicron particles in the sediment or that submicron plutonium fragments exist at the source. However, the tendency for these plutonium colloids to move in the SRS subsurface is extremely low, especially in engineered cementitious environments where the ionic strength of the solution and the elevated concentrations of divalent cations greatly curtails colloid suspension stability (i.e., the stabilization step is likely not completed). Together these data strongly indicate that plutonium-bearing colloids would likely exist in the near field of a tank closure facility, but the colloids would be unlikely to be mobile, thereby providing a vector for enhanced transport. Under cementitious leachate impacted groundwater conditions, it is reasonable to assume plutonium transport occurs primarily as a two-phase system, a mobile aqueous phase and an immobile solid phase.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗