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DOE OSTI2025

Advancing the Representation of Human Actions in Large‐Scale Hydrological Models: Challenges and Future Research Directions

Characterizing the impact of human actions on terrestrial water fluxes and storages at multi-basin, continental, and global scales has long been on the agenda of scientists engaged in climate science, hydrology, and water resources systems analysis. This need has resulted in a variety of modeling efforts focused on the representation of water infrastructure operations. Yet, the representation of human-water interactions in large-scale hydrological models is still relatively crude, fragmented across models, and often achieved at coarse resolutions (~10–100 km) that cannot capture local water management decisions. In this commentary, we argue that the concomitance of four drivers and innovations is poised to change the status quo: “hyper-resolution” hydrological models (~0.1–1 km), multi-sector modeling, satellite missions able to monitor the outcome of human actions, and machine learning are creating a fertile environment for human-water research to flourish. We then outline four challenges that chart future research in hydrological modeling: (a) creating hyper-resolution global data sets of water management practices, (b) improving the characterization of anthropogenic interventions on water quantity, stream temperature, and sediment transport, (c) improving model calibration and diagnostic evaluation, and (d) reducing the computational requirements associated with the successful exploration of these challenges. Overcoming them will require addressing modeling, computational, and data development needs that cut across the hydrology community, thereby requiring a major communal effort.

catchment hydrology↗

DOE OSTI2021

ESS-DIVE Reporting Format for Hydrologic Monitoring Data and Metadata

The ESS-DIVE Reporting Format (RF) for Hydrologic Monitoring Data and Metadata was designed for water level, temperature, electrical conductivity, specific conductance, dissolved oxygen, and pH measured in situ using sensors deployed in water bodies. It can also be applied to a broader suite of variables beyond its original scope. The RF is intended to provide clear and easy guidance to data generators aiming to upload consistent findable, accessible, interoperable, and reusable (FAIR) datasets. The RF includes instructions (pdf), a term guide (csv), templates (csv and xlsx), and a list of recommended vocabulary (csv) to equip the data generator with all of the tools needed to successfully apply the RF. There is also a crosswalk to some key data resources and standards (csv). Users should cite this dataset when using the RF but are encouraged to access the RF files on GitHub (https://github.com/ess-dive-community/essdive-hydrologic-monitoring) where the RF documentation is maintained and updated on the ESS-DIVE Community Space GitHub. Questions and suggestions for improvement can be submitted as GitHub issues.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Analysis of Microbial Communities as Indicators of Microbially Induced Corrosion Potential in Stainless Steel Piping

The 200 West Area Pump-and-Treat (200W P&T) facility is part of the final remedy decision for the 200 ZP-1 Operable Unit (OU) and is the interim remedial action for 200-UP-1 OU at the Hanford Site. The facility also treats water from other sources across the site, including 200-DV-1 OU perched water, groundwater from the 200-BP-5 OU, and leachate from the Environmental Restoration Disposal Facility. The facility originally operated a biological treatment process for nitrate that resulted in systemic biofouling and loss of injection well capacity, requiring frequent and costly well rehabilitation. Biofouling has also contributed to corrosion of welds and pitting of stainless-steel piping at the facility. The biological treatment for nitrate was suspended at the end of 2019 calendar year to eliminate negative impacts from biological treatments which improve facility operations and treatment of carbon tetrachloride. Evaluation of the 200W P&T facility’s response to operational improvements, specifically the suspension of the biological treatment, provides information on the potential for continued microbially induced corrosion (MIC). To this end, historical data sets (2015-2017) were compared with molecular biological analyses of 200W P&T water samples from 2018-2020 to quantify trends in total microbial biomass and specific microbial indicator species (iron, sulfate, nitrate, and manganese reducing bacteria) known to cause and enhance metal corrosion. Results showed unequivocal reductions (in excess of 90%) in all microbiological indicators measured following the suspension of the biological treatment. Although abundance measurements for all corrosive MIC populations initially declined after removal of the treatment system, nitrate-reducing bacteria (nirK) and sulfate-reducing bacteria remain highly abundant in the system, an order of magnitude higher than the number of cells present prior to the removal of the biological treatment system [5.14e (1.4) cells/L, vs. 1.14e (0.07) cells/L, reported as average (±SD) for n=3]. In addition, there was an unexpected inflection point in 2019 where all microbial indicators increased unexpectedly in abundance in 2020 by as much as two orders of magnitude compared to 2019 samples. Given the limited number of water samples available for this analysis, the cause of the increase in microbial indicators post-biological treatment has not yet been determined. Systematic sampling of the facility for continued monitoring is recommended so that the responses of MIC populations can be evaluated to ensure that further corrosion is avoided, allowing the 200W P&T facility to operate safely and efficiently at design capacity.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

Stream water sourcing from high-elevation snowpack inferred from stable isotopes of water: a novel application of d-excess values

About 80 % of the precipitation at the Colorado River's headwaters is snow, and the resulting snowmelt-driven hydrograph is a crucial water source for about 40 million people. Snowmelt from alpine and subalpine snowpack contributes substantially to groundwater recharge and river flow. However, the dynamics of snowmelt progression are not well understood because observations of the high-elevation snowpack are difficult due to challenging access in complex mountainous terrain as well as the cost and labor intensity of currently available methods. We present a novel approach to infer the processes and dynamics of high-elevation snowmelt contributions predicated upon stable hydrogen and oxygen isotope ratios observed in streamflow. We show that deuterium-excess (d-excess) values of stream water could serve as a comparatively cost-effective proxy for a catchment-integrated signal of high-elevation snowmelt contributions to catchment runoff. We sampled stable hydrogen and oxygen isotope ratios of the precipitation, snowpack, and stream water in the East River, a headwater catchment of the Colorado River, and the stream water of larger catchments at sites on the Gunnison River and Colorado River. The d-excess of snowpack increased with elevation; the upper subalpine and alpine snowpack (> 3200 m) had substantially higher d-excess compared to lower elevations (< 3200 m) in the study area. The d-excess values of stream water reflected this because d-excess values increased as the higher-elevation snowpack contributed more to stream water generation later in the snowmelt/runoff season. End-member mixing analyses based on the d-excess data showed that the share of high-elevation snowmelt contributions within the snowmelt hydrograph was on average 44 % and generally increased during melt period progression, up to 70 %. The observed pattern was consistent during 6 years for the East River, and a similar relation was found for the larger catchments on the Gunnison and Colorado rivers. High-elevation snowpack contributions were found to be higher for years with lower snowpack and warmer spring temperatures. Thus, we conclude that the d-excess of stream water is a viable proxy to observe changes in high-elevation snowmelt contributions in catchments at various scales. Inter-catchment comparisons and temporal trends of the d-excess of stream water could therefore serve as a catchment-integrated measure to monitor if mountain systems rely on high-elevation water inputs more during snow drought compared to years of average snowpack depths.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Predicting future well performance for environmental remediation design using deep learning

Here in this study, we developed a deep learning (DL) framework with a multi-channel three-dimensional convolutional neural network (MC3D-CNN) to predict well performance and thereby assist future environmental remediation design. Such prediction of extraction well performance at designated locations is critical for configuring pump-and-treat (P&T) well network design and operation, setting reasonable target closure dates for overall remedying, and estimating remedy costs. The framework is developed with operational and monitoring data routinely collected during P&T remedy operations, including well extraction and injection rates as well as in situ contaminant concentrations. Traditionally, the collected data were rarely used for purposes other than assessing past well performance and the accuracy of the conceptual site model. However, recent advances in data-driven computational approaches enable better use of the large datasets to inform future well performance, enhance site characterization, and improve remediation planning. In this study, we established a DL framework to integrate transient three-dimensional contaminant plumes and multiple aquifer properties (e.g., hydraulic conductivity and hydrostratigraphic maps) to identify characteristic patterns controlling and representing extraction well mass recovery, aiming at providing future mass recovery estimates for existing wells and candidate wells at any proposed locations. We evaluated our framework by using a realistic synthetic dataset generated from a well-calibrated flow and transport model used in the 200 West Area of the U.S. Department of Energy’s Hanford Site in southeastern Washington state. The multi-channel feature in our framework allows integration of various types and temporal densities of training datasets for DL model development. Overall, we found that the trained DL model achieved an accuracy of over 90% in ranking extraction well performance in validation datasets, and over 80% in predicting high-performance-ranking well locations. This data-informed approach provides a flexible tool to support adaptive site management, streamline decision-making, and potentially reduce remediation time and costs. Our DL framework can be used as a filtering tool to improve the current P&T network optimization design by reducing the number of candidate well locations.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Riverbed and Near-Surface Water Quality Data, Hanford Reach, Columbia River, February 2021 - April 2022

This dataset contains longitudinal profiles of natural groundwater tracers (temperature, electrical conductivity (EC), and Radon-222 (Rn)) collected to identify locations of hydrologic exchange flows along a 75-km reach of the Columbia River near Richland, Washington.A jetboat was used to tow a 30 foot long, weighted tether that had one set of temperature and EC sensors just below the water surface and one set of temperature and EC sensors on the end (just above the river bed). The dataset contains profiles of temperature/EC data (resolution: 1 second) collected along the left and right banks during three different sampling events. During the final sampling event, we revisited some "deep holes" where the river was more than 30 feet deep with a weighted tether that was 75 feet long. The dataset has been processed to remove data collected when the sensors were not in the water, or when the water was too deep to keep the tether on the riverbed. We collected grab samples of water for analysis of dissolved Rn in places where the temperature/EC was different from the background river water. The Rn data was joined to the temperature/EC profiles based on the sample times.This dataset is comprised of one main data folder containing (1) file-level metadata; (2) data dictionary; (3) installation methods; (4) February 2021 data; (5) July 2021 data; (6) April 2022 data; and (7) April 2022 deep hole data. All files are .csv format and can be opened with a spreadsheet program (such as Microsoft Excel or OpenOffice).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Soil water content, matric potential, carbon dioxide and oxygen concentrations, Oct 2018-Dec 2021, Slate River Floodplain, Crested Butte, Colorado

This data package includes a time series of soil sensor data (temperature, water content, bulk electrical conductivity, porewater dissolved oxygen and porewater dissolved carbon dioxide) in a vertical profile from the Slate River floodplain outside Crested Butte, Colorado, a focus field site for the SLAC Floodplain Hydro-Biogeochemistry SFA. The data was generated as part of the work targeting the overarching research question for the SLAC SFA: How do ubiquitous subsurface interfaces mediate molecular-scale biogeochemical processes and groundwater quality in floodplains and watersheds? The package includes: (1) soil temperature, volumetric water content and electrical conductivity at 40, 60 and 82.5 cm depth; (2) soil matric potential at 40, 60, 79 and 100 cm depth; (3) soil CO2 concentrations at 40, 60 and 82.5 cm depth; and (4) soil oxygen concentrations at 60, 82.5, 100, 135, 170 and 182 cm depth. Both the carbon dioxide and oxygen sensors are optical sensors that can measure the partial pressure of oxygen in both saturated and unsaturated conditions. Unfortunately, soil CO2 in the profile is unexpectedly high and above the sensor calibration range (0-25,000 ppm). In addition, soil CO2 sensors failed within a year of deployment, so we only report CO2 data from 2019-2020.Within the data package, "FLMD.csv" describes file-level metadata and "dd.csv" defines column headers and universal terms across the dataset. The data package includes 4 "*data.csv" files, one for each calendar year in the dataset. Each "*data.csv" file has a corresponding "*_InstallationMethods.csv" file that describes the location, sensor model, sensor serial number and other metadata corresponding for each measured parameter. Because sensors have been added over time, not every sensor has data dating back to Oct 2018. Note that there is a data gap over winter 2019-2020 due to a power outage. While this repository currently only contains data through December 2021, the dataset will be updated as additional years are collected and processed.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Meteorological, reference evapotranspiration and estimated transpiration data, July 2020-Dec 2021, Slate River Floodplain, Crested Butte, Colorado

This data package includes a time series of meteorological data (air temperature, relative humidity, barometric pressure, precipitation, wind speed, soil heat flux, incoming shortwave radiation, incoming longwave radiation, outgoing shortwave radiation and outgoing longwave radiation) from the Slate River floodplain outside Crested Butte, Colorado, a focus field site for the SLAC Floodplain Hydro-Biogeochemistry SFA. The data was generated as part of the work targeting the overarching research question for the SLAC SFA: How do ubiquitous subsurface interfaces mediate molecular-scale biogeochemical processes and groundwater quality in floodplains and watersheds? The package also includes reference evapotranspiration calculated via the Penman-Monteith equation and an estimate of willow (Salix spp.) evapotranspiration using the method of Irmak et al., J. Hydrology, 2013. Due to two malfunctioning sensors (incoming shortwave radiation from Oct 2020-May 2021 and incoming longwave radiation from May 2021-March 2022), observed net radiation and calculated evapotranspiration are only included from July-October 2020. However, users may be able to extend calculated evapotranspiration using estimates of these two parameters from other sources. Both sensors have been replaced and data beyond 2021 be uploaded to this repository when it is available.Within the data package, "FLMD.csv" describes file-level metadata and "dd.csv" defines column headers and universal terms across the dataset. The data package includes 3 "*data.csv" files, two for meteorological data for 2020 and 2021 and one for reference evapotranspiration and transpiration data from 2020 ("SLT_OBJ2_PenmanMonteith_2020_data.csv"). Each "*data.csv" file of meteorological data has a corresponding "*_InstallationMethods.csv" file that describes the location, sensor model, sensor serial number and other metadata corresponding to each measured parameter. We also include a Jupyter notebook ("PenmanMonteithET_Calculations.ipynb") that details the assumptions and equations used to calculate daily and hourly reference evapotranspiration and daily willow transpiration from raw meteorological data.

54 ENVIRONMENTAL SCIENCES↗