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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Field surveying data of low-cost networked flood sensors in southeast Texas

Floods are common natural disasters worldwide and pose substantial risks to life, property, food production, and natural resources. Effective measures for flood mitigation and warning are essential. Southeast Texas is still at significant risk of flooding, and Lamar University is assisting the region with asset management of a flood sensor network for flooding events. This network provides real-time water stage information. Lamar University developed a survey program to measure elevation and coordinates at each sensor site location to make this data more useful for flood monitoring and mapping. This paper overviews the measurement of the elevation and coordinates of 74 networked flood sensors and various flood stage thresholds at critical points that flood decision-makers can use for reference at each site. In the first phase of this program, these sensors were deployed throughout a 7-county region spanning nearly 6,000 square miles in Southeast Texas. The latitude and longitude of the sensors and their elevations were determined using survey-grade Global Navigation Satellite System (GNSS) technology. Various Continually Operating Reference Stations (CORS) were utilized for post-processing to achieve sub-inch resolution. The flood stage thresholds, water level sensors elevation, and the elevations and positions of other critical surrounding points are viewable to the public through two online repositories and a web-based sensor management dashboard. The data is used to aid with decisions related to road closures or modeling efforts by mitigation decision-makers, emergency managers, and the public, including the Texas Department of Transportation, Houston Transtar, the National Weather Service, and the Sabine River Authority of Texas (SRA).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Data from: "Warming and the dependence of limber pine (Pinus flexilis) establishment on summer soil moisture within and above its current elevation range"

This data package contains data that were used for analysis in “Warming and the dependence of limber pine (Pinus flexilis) establishment on summer soil moisture within and above its current elevation range”, by Moyes et al. 2013. All data collection and field research were completed on Niwot Ridge, Colorado, USA.This data package contains nine comma-separated-values (.csv) files, one text (.txt) file, and two zipped seedling folders that were used for leaf area analysis. One zipped folder contains 468 .jpg photographs of seedlings, and the second contains 468 corresponding Image J-processed .jpg images that include silhouette leaf area values. .csv and .txt files can be opened using any compatible simple text-editor software such as TextEdit (Mac) and Notepad (Windows); .csv’s can also be opened using R and Microsoft Excel. Image files can be opened using Preview (Mac) and Photos (Windows). In addition, there are a total of 31 Microsoft Excel files: three .xlsx files, and 28 raw Li-Cor output .xls files. This data user’s guide is available in .pdf format, and can be opened using Adobe Acrobat Reader, or any other compatible file viewing software. Geospatial data showing field site locations are also included in the archive for use and reference. There are two geospatial formats in this archive: ESRI shapefiles (.shp) and keyhole markup-language (.kml) files. Both file types contain bounding box information, with the former being polygons, and the latter containing corner coordinates for each site. ESRI shapefiles can be opened using any geospatial software compatible with the file type (such as ESRI’s ArcGIS suite and QGIS), and .kml files are compatible with Google Earth and Google Maps.--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------Continued changes in climate are projected to alter the geographic distributions of plant species, in part by affecting where individuals can establish from seed. We tested the hypothesis that warming promotes uphill redistribution of subalpine tree populations by reducing cold limitation at high elevation and enhancing drought stress at low elevation. We seeded limber pine (Pinus flexilis) into plots with combinations of infrared heating and water addition treatments, at sites positioned in lower subalpine forest, the treeline ecotone, and alpine tundra. In 2010, first-year seedlings were assessed for physiological performance and survival over the snow-free growing season. Seedlings emerged in midsummer, about 5–8 weeks after snowmelt. Low temperature was not observed to limit seedling photosynthesis or respiration between emergence and October, and thus experimental warming did not appear to reduce cold limitation at high elevation. Instead, gas exchange and water potential from all sites indicated a prevailing effect of summer moisture stress on photosynthesis and carbon balance. Infrared heaters raised soil growing degree days (base 5 °C, p < 0.001) and August–September mean soil temperature (p < 0.001). Despite marked differences in vegetation cover and meteorological conditions across sites, volumetric soil moisture content (θ) at 5–10 cm below 0.16 and 0.08 m^3 m^(−3) consistently corresponded with moderate and severe indications of drought stress in midday stem water potential, stomatal conductance, photosynthesis, and respiration. Seedling survival was greater in watered plots than in heated plots (p = 0.01), and negatively related to soil growing degree days and duration of exposure to θ < 0.08 m^3 m^(−3) in a stepwise linear regression model (p < 0.0001). We concluded that seasonal moisture stress and high soil surface temperature imposed a strong limitation to limber pine seedling establishment across a broad elevation gradient, including at treeline, and that these limitations are likely to be enhanced by further climate warming.--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------Maintenance log:Amended file name error in Data User's Guide May 19 2022

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Soil Water Content (m3 m-3), October 2011 - May 2017

Hourly data processed to monthly. Data collected from Cosmic Neutron Probes at variable depth averaging 15 cm that was interpolated to near-surface (0-10 cm). Site located at latitude 0.28 deg N, longitude 36.87 deg E. Data was downloaded from the The COsmic-ray Soil Moisture Observing System (COSMOS) soil moisture data network and is publicly available. Data was made available by the COsmic-ray Soil Moisture Observing SysteM (COSMOS). Data from this site is referenced as Kenya in Table 1 and Figure 4 of Solander et al., 2020, The pan-tropical soil moisture response to El Nino, Hydrol. Earth Syst. Sci., in press.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Coupling geophysical, geological, geochemical and mineralogical assessments to examine preferential contaminant transport pathways in interbedded fractured bedrock

This study shows that a multi-faceted approach, combining borehole geophysical logging and surface seismic P-wave first-arrival tomography with confirmatory coring, well installation, and chemical and mineralogical analysis, is effective for identifying difficult-to-locate preferential contaminant transport pathways in deeper fractured bedrock. Seismic tomography detected porous 10–20 m wide elongated fractured conduits that allow acidic groundwater contaminated with uranium (U) and nitrate (NO 3 - ) to migrate within interbedded shale-limestone bedrock over 1000 m from a former disposal facility (S-3 Ponds site) located at the DOE Y-12 National Security Complex in Tennessee (USA). Conventional drilling techniques would easily miss these conduits because they are oriented parallel with fractured bedding planes. Synchrotron analysis of aquifer solids revealed that > 95 % of the U is hexavalent (U VI ). This uranyl (UO 2 2+ ) species is coordinated with carbonate, iron oxide, silicate and phosphate minerals within cemented white to yellow precipitates, which contain U concentrations as high as ∼21.6 % by weight fraction. Identifying the presence of these mineral phases, enables a further understanding of the potential effectiveness of remediation actions. The combination of methodologies presented here can also be applied to other explorations, such as the detection of water supply.

Fate and transport↗
DOE OSTI2023

Artificial intelligence models, photos, and data associated with the manuscript “Quantifying Streambed Grain Size, Uncertainty, and Hydrobiogeochemical Parameters Using Machine Learning Model YOLO” (v2)

This data package is associated with the manuscript “Quantifying Streambed Grain Size, Uncertainty, and Hydrobiogeochemical Parameters Using Machine Learning Model YOLO” published in Water Resources Research (Chen et al., 2024). This data package includes the training, validation, testing, and prediction data used by the artificial intelligence (AI) model for automated grain size and hydro-biogeochemistry quantification using streambed photos. The grain size data are extracted for each photo using You Look Only Once (YOLO), a pre-trained object detection model. This data package was originally published in October 2023. It was updated August 2025 (v2; new and modified files). File and folder names were not revised to indicate changes. See the change history section in the readme for more details. Please see flmd.csv for a list of all files contained in this data package and descriptions for each. Please see dd.csv for a data dictionary that defines the column headers of .csv files in the data package. This dataset is comprised of one data folder containing (1) file-level metadata; (2) data dictionary; (3) readme; and (4) six subfolders. Subfolders 1 to 4 include the training, validation, testing, and prediction data. Subfolder 5_Summary includes the summary results of different combinations of training, validation, testing, and prediction data. Subfolder 6_SupplementalData includes additional data downloaded from public sources (Kaufman et al., 2023a; Kaufman et al., 2023b; Garefalakis et al., 2023; Mair et al., 2024; https://github.com/river-corridors-sfa/Geospatial_variables). In total, the data package includes 110 folders and 44,283 files. These files include 9,047 .jpg photos, 1 .png photo, 3 .tif photos; 26,639 photo labels and individual grain sizes and probability from AI (.txt); 8,447 grain size distribution data (.dat); and 126 CSV files for results summary, and 14 required metadata files (.xlsx). The summary CSV files contain 68 columns and approximately 2,200 rows that represent photo names, site locations, recording time, GPS coordinates, grains sizes (D10, D50, D60, and D84), number of grains, and additional hydro-biogeochemical data such as water depth, flow velocity, Manning’s coefficient, friction factor, hydraulic conductivity, permeability, streambed interstitial velocity magnitude, mass transfer rate, and nitrate uptake velocity. The photos were obtained from 75 sites in the Yakima River Basin and the Columbia River shorelines, and other associated data from samples and sensors obtained when the photos were taken are publicly available (Fulton et al. 2022; Grieger et al. 2023). All files are .csv, .txt, .dat, .jpg, or .pdf. We acknowledge the Yakama Nation as owners and caretakers of the lands where we collected some of these data. We thank the Confederated Tribes and Bands of the Yakama Nation Tribal Council and Yakama Nation Fisheries for working with us to facilitate sample collection and optimization of data usage according to their values and worldview.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Characterization of Gulf Stream energy resources: A 30-year high-resolution simulation study

The strength and proximity of the Gulf Stream (GS) along the U.S. coast offers opportunities for marine energy extraction. Leveraging high-resolution (up to 400 m) long-term (30-year) hindcasts based on an unstructured grid model, this study characterizes the energy potential of the GS in two viable locations: the Florida Straits (FS) and Cape Hatteras (CH). Results reveal distinct characteristics in the kinetic energy flux (KEF) and kinetic energy density (KED) for the two regions. The 30-year mean KEF at CH is 27.50 GW, surpassing the 19.74 GW estimated for the FS, which is attributed to the wider cross-section of the GS in CH. Additionally, CH exhibits higher KEF variability due to GS’s larger path shifts and meanders. Estimated KEDs at ADCP site locations reach up to 2,908 W/m 2 in the FS and 1,512 W/m 2 in the CH at a depth of 20 m. High-energy zones are closer to shore in the FS, whereas energy-rich areas at CH are located further offshore. A depth-based KED analysis shows significant decreases across typical energy extraction depths (20 to 100 m), with reductions up to 44%. Finally, this study provides high-resolution resource characterization, forming a foundation for optimized site selection and marine hydrokinetic system design.

16 TIDAL AND WAVE POWER↗
DOE OSTI2026

A Nonergodic Ground-Motion Model for the San Francisco Bay Area for Small-Magnitude Earthquakes

ABSTRACT Recently, generative models have become a computationally efficient alternative to physics-based numerical simulations of ground motions. Neural networks can learn from existing ground-motion data to generate unobserved ground-motion data at new source and site locations. A key challenge with generative models is ensuring that predicted ground motions remain within a physically realistic range. For this purpose, we developed an empirical, nonergodic ground-motion model (GMM) for small-magnitude earthquakes in the San Francisco Bay area based on about 5000 recordings per component for Mw ≤ 4 earthquakes. The nonergodic GMM predicts spatially varying median source, site, and path effects for both the Fourier amplitude spectrum (FAS) and the Fourier phase derivative (a proxy for duration), as well as the corresponding epistemic uncertainty for each term. For FAS, our model shows above-average source and site effects in the western part of the region and below-average effects in the eastern part, with regional effects exhibiting larger spatial correlation lengths with increasing frequency. For duration, the source term is negligible for small-magnitude earthquakes, and the site term leads to site-specific variations up to 5 s. Path effects for FAS and duration depend on the source–site pair and are extrapolated spatially using recent methods for path-effect modeling. The aleatory variability of the within-site within-path residuals is similar to the variability found in previous studies for other regions. The nonergodic model provides two key contributions: first, median adjustment terms that are transferable to larger magnitude earthquakes, further reducing aleatory variability in probabilistic seismic hazard analysis; second, region-specific criteria for validating machine learning-based ground-motion generators to evaluate whether synthetic ground motions exhibit physically realistic source, site, and path effects.

Lacour, Maxime↗
DOE OSTI2022

Spatial patterns of snow distribution in the sub-Arctic

Abstract. The spatial distribution of snow plays a vital role in sub-Arctic and Arctic climate, hydrology, and ecology due to its fundamental influence on the water balance, thermal regimes, vegetation, and carbon flux. However, the spatial distribution of snow is not well understood, and therefore, it is not well modeled, which can lead to substantial uncertainties in snow cover representations. To capture key hydro-ecological controls on snow spatial distribution, we carried out intensive field studies over multiple years for two small (2017–2019; ∼ 2.5 km2) sub-Arctic study sites located on the Seward Peninsula of Alaska. Using an intensive suite of field observations (> 22 000 data points), we developed simple models of the spatial distribution of snow water equivalent (SWE) using factors such as topographic characteristics, vegetation characteristics based on greenness (normalized different vegetation index, NDVI), and a simple metric for approximating winds. The most successful model was random forest, using both study sites and all years, which was able to accurately capture the complexity and variability of snow characteristics across the sites. Approximately 86 % of the SWE distribution could be accounted for, on average, by the random forest model at the study sites. Factors that impacted year-to-year snow distribution included NDVI, elevation, and a metric to represent coarse microtopography (topographic position index, TPI), while slope, wind, and fine microtopography factors were less important. The characterization of the SWE spatial distribution patterns will be used to validate and improve snow distribution modeling in the Department of Energy's Earth system model and for improved understanding of hydrology, topography, and vegetation dynamics in the sub-Arctic and Arctic regions of the globe.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Distribution Development for Residual Inventory at the New York West Valley Site - 20400

The New York State Energy Research and Development Authority (NYSERDA) is the owner of the Western New York Nuclear Service Center (WNYNSC), a 1,351 ha site located approximately 48 km south of Buffalo, New York. In 1962, Nuclear Fuel Services, Inc. (NFS) entered into Agreements with the Atomic Energy Commission and New York State to construct the first commercial reprocessing plant of nuclear fuel in the United States. NFS, a private company, built and operated the spent fuel reprocessing plant and waste disposal facilities, processing 640 Mg of spent nuclear fuel from 1966 to 1972 under an Atomic Energy Commission license. Nuclear fuel reprocessing operations ended in 1972 and never reopened, leaving behind radioactive and chemical wastes. Operations led to contamination in a number of facilities and locations. Some of that contamination has migrated from waste disposal zones to other layers, formations, and features on and off the WNYNSC. Phase I decommissioning activities are ongoing and involve the removal of a number of areas and structures that have been associated with contamination. The purpose of this work is to outline the approach for characterizing contamination not associated with disposed wastes, contaminated structures, or specific releases. In this work, the term, residual radiological activity, is used to describe environmental contamination that exists subsequent to the completion of Phase I decommissioning activities, that is not associated with disposed wastes, contaminated structures, or specific releases. Contamination from the Site was quantified relative to data that characterize the concentrations of radionuclides that exist in background. Background concentrations are those present in the area but having no influence from Site related activities. The existence of residual radiological activity that is elevated relative to background has the potential to contribute to future risks to human health and the environment. As a consequence, the residual inventory information is used to inform the West Valley Probabilistic Performance Assessment (PPA) model to characterize potential future risks to human health and the environment. The centralized West Valley Data Management System (DMS) was the source of information for the data assembled in this analysis. The DMS is a fairly large compilation consisting of thousands of records from investigation studies, with sample dates ranging from 1990 to present. Samples from monitoring wells, boreholes, geoprobe studies, surface water, surface soils, storm water outfalls, ventilation stack filters, plant and animal tissues, and more are included in the DMS. Results are typically reported in units of activity per unit volume. For the purpose of the analyses presented here, all results were converted into consistent units of pCi per unit volume. Since 1990, data have been collected from various locations across the WNYNSC at different times with varying frequency over the course of several decades. As a consequence, a number of potential issues can arise with respect to the assembly of a dataset that is deemed adequate for the characterization of residual radiological activity. These issues were assessed and resolved to the extent possible through careful consideration of the properties of the distributions. The intent was to use data which characterize the current state of the Site. Radionuclides can be designated to one of several groups depending on their origin. In this work the groups considered were 1) Naturally Occurring Radioactive Material (NORM), 2) fallout, and 3) Other (including power plant, medical research, etc). This grouping is a useful construct with respect to the interpretation of fixed laboratory results. For example, NORM radionuclides that exist within a decay chain should have approximately equivalent distributions of concentrations if they are representative of background conditions. Insights such as these can be used as a check to identify sample results that need to be further investigated or omitted due to issues associated with reported results from fixed laboratory analyses. This type of analysis provided a foundation for the assessment of the adequacy of sample results for use in subsequent components of an assessment. The general process for the assessment of residual radiological contamination at the Site consists of a sequence of several steps. First, for each analyte, several statistical tests were performed to assess the weight of evidence against the null hypothesis that the mean of the distribution of concentrations was equal to zero. If the mean of the distribution of concentrations for a given radionuclide was not found to be greater than zero, then it was removed from consideration as a component of the residual radiological contamination. If there was significant evidence to reject the hypothesis of the mean being equal to zero, the second step was to compare the distribution of the data from the Site to that of the corresponding background. A suite of tests was used to compare the distributions of the site and background data. The results of these tests were collectively used to determine if site data are elevated relative to background. The third step was to develop distributions using a Bayesian framework to characterize the distribution of mean of the increment present above background for each of the radionuclides. The Bayesian model implemented allowed for the comparison of site-specific records to background concentrations to better approximate contamination attributed to the Site. A final screening step was employed for radionuclides that exceed background. This screening step compared 95% upper confidence limits (UCLs) from the increment distribution developed in the previous step to the risk screening levels. This approach yields a list of analytes that were determined to be elevated relative to background.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Development of a vadose zone advanced monitoring system: Tools to assess groundwater vulnerability

Performing repeat pore-fluid sampling over long time-scales can provide valuable information on unsaturated zone contaminants and their potential flux to ground water. This information can be used to manage groundwater remedies and identify contaminants that need to be sequestered in the vadose zone to minimize flux to ground water. Pore-water samples are commonly used to obtain contaminant concentrations within the vadose zone, but existing methods are limited as they only provide a single sample at one location and time. The vadose zone advanced monitoring system (VZAMS) has been designed to integrate multiple technologies into a single down-borehole system that allows for sampling of pore fluids (liquid and gas) to provide information about contamination and hydraulic conditions at multiple depths (~0.3-m intervals) within a cased borehole. Testing has been completed at the laboratory scale to verify the sampling elements of VZAMS, including geochemical testing for representative contaminants known to exist at the Hanford Site, located in southeastern Washington State. Physical tests focused on the ability of the sampler to draw fluid under unsaturated conditions. Initial geochemical testing showed that the stainless steel material used with the porous cuff may affect the sampled concentrations of redox-sensitive contaminants under very dry conditions. Additional laboratory testing demonstrated that the VZAMS components are able to collect representative samples for substances of interest under expected field conditions. In this paper, the design and functionality of a novel instrument are demonstrated in support of subsequent testing in the field.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Embedding Equity into Electric Vehicle Charging Station Design

Once a site location is selected for the installation of an electric vehicle (EV) charging station, the next step is to plan and design the specific station. Local and state governments can require and/ or incentivize accessible and safe design elements, so the station is constructed in an equitable manner.

ADVANCED PROPULSION SYSTEMS,ENERGY PLANNING, POLIC↗
DOE OSTI2020

Quantifying the impact of climate change on erosion - 20397

The New York State Energy Research and Development Authority (NYSERDA) is the owner of the Western New York Nuclear Service Center (WNYNSC), a 1,351-ha (3,338-ac) site located approximately 48 km (30 mi) south of Buffalo, New York. In 1962, Nuclear Fuel Services, Inc. (NFS) entered into Agreements with the Atomic Energy Commission and New York State to construct the first commercial reprocessing plant of nuclear fuel in the United States. NFS, a private company, built and operated the spent fuel reprocessing plant and waste disposal facilities, processing 640 Mg (metric tons, or 705 short tons) of spent nuclear fuel from 1966 to 1972 under an Atomic Energy Commission license. Nuclear fuel reprocessing operations ended in 1972 and never reopened, leaving behind radioactive and chemical wastes. Erosion can play an important role in the fate and transport of waste at sites where disposal of long-lived waste is anticipated. The statistical characterization of key processes related to erosion is essential to the understanding of site stability through time. One of the key processes governing erosion is extreme precipitation and it is critical that trends in the distribution of extreme precipitation events through time be represented. The evidence of climate change is increasingly well documented and projected impacts on extreme precipitation events should be incorporated in performance assessment studies when relevant. Not evaluating future climate states in a performance assessment is contradictory to good modeling practice. Specifically, excluding climate change limits development of modeling information that could aid in effective decision making. The current climate literature provides both observational evidence and climate model projections of climate trends and/or climate change in the late 20. and early 21. centuries for North America and the northeast United States. In this work, this information was used to assess the impacts of potential changes in climate on erosion processes. The goal was to understand how projections of future climate relate to the performance of the WNYNSC through time. In the first stage of this work multi-temporal historical aerial images were analyzed in conjunction with orthophotography and Lidar data to develop probability distributions for variables representing important erosion processes. The information from these analyses was then used in conjunction with simulated data from the West Valley Erosion Working Group (EWG). Analysis of EWG simulations provides estimates for the change in erosion rates through time that is driven by changes in climate. The time-varying rates of erosion change were applied to the historical aerial imagery data in order to inform time-varying rates of erosion that are driven by changes in climate. Ultimately, this process resulted in the identification of locations for features like gully heads using both the Lidar dataset and projection of the estimated location from the historical aerial photo under consideration back to the Lidar dataset. The distance between the estimate of the location from the historical image and that of the Lidar dataset was the estimated distance the feature has moved. This distance was then divided by the number of years between the Lidar dataset and the year of the historical aerial image of interest to get a rate of movement through time. This was done for several dozen points on each historical aerial image. The analyses from the EWG were used to characterize the relative impact of climate change on the erosion rates. This relative impact was quantified by comparing the LEM based estimates of erosion that were derived using historical climate data with LEM based estimates of erosion that were derived using projections of future climate. The relative increase in the erosion rates was then applied to the historical estimates of erosion derived from the analysis of the historical aerial imagery. This approach was used since the LEM-based estimated of the historical erosion rates from the past century have a bias towards underestimating erosion. This underestimation is hypothesized to be a consequence of an inability of the LEMs to account for the impacts of land-use change (i.e. deforestation) which had been shown to significantly increase erosion in similar Northern hardwood forest ecosystems. In summary, gully head retreat rate and gully widening rate were characterized using statistical probability distributions from the historical aerial image analysis. Simulated data from the EWG was used to estimate the climatically-driven changes in erosion rates through time. The changes through time from the EWG were applied to the gully head retreat rate and gully widening rate characterized using the historical aerial image analysis. This information can be used to inform PPA models to project future risks from a given site. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Pan-Arctic daily streamflow at 0.5-degree resolution

Data was derived using daily runoff from models participating in the Coupled Model Intercomparison Project, version 6 (CMIP6) that have been routed through the Model for Scale Adaptive River Transport (MOSART) routing model to represent streamflow at individual streamflow gage locations. Data from 750 streamflow gage locations are represented, which are indexed by gage id according to the metadata.csv file. Streamflow gage location sites were based on gage records downloaded from the United States Geological Survey (USGS), National Water Data (HYDAT) Archive from Canada, and the State Hydrological Institute of Russia. Data are available from 11 Earth System Models (ESMs) in total at a daily timestep with a duration of 1920-2099 (1850-2014 for E3SM only). The spatial domain of the modeled data is 0.5 degree resolution. Earth System Models and Units of mean daily streamflow are presented in cubic meters per second (cms). Data files consist of 11 Earth System Model mean daily streamflow output per gage location in .csv format, 1 metadata file in .csv format and 1 Readme file in .docx format (13 files in total). These data were used to benchmark CMIP6 modeled representations of streamflow against gage records.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Utilizing Environmental Tracers to Reduce Groundwater Flow and Transport Model Parameter Uncertainties

Abstract Non‐uniqueness in groundwater model calibration is a primary source of uncertainty in groundwater flow and transport predictions. In this study, we investigate the ability of environmental tracer information to constrain groundwater model parameters. We utilize a pilot point calibration procedure conditioned to subsets of observed data including: liquid pressures, tritium ( 3 H), chlorofluorocarbon‐12 (CFC‐12), and sulfur hexafluoride (SF 6 ) concentrations; and groundwater apparent ages inferred from these environmental tracers, to quantify uncertainties in the heterogeneous permeability fields and infiltration rates of a steady‐state 2‐D synthetic aquifer and a transient 3‐D model of a field site located near Riverton, Wyoming (USA). To identify the relative data worth of each observation data type, the post‐calibration uncertainties of the optimal parameters for a given observation subset are compared to that from the full observation data set. Our results suggest that the calibration‐constrained permeability field uncertainties are largest when liquid pressures are used as the sole calibration data set. We find significant reduction in permeability uncertainty and increased predictive accuracy when the environmental tracer concentrations, rather than apparent groundwater ages, are used as calibration targets in the synthetic model. Calibration of the Riverton field site model using environmental tracer concentrations directly produces infiltration rate estimates with the lowest uncertainties, however; permeability field uncertainties remain similar between the environmental tracer concentration and apparent groundwater age calibration scenarios. This work provides insight on the data worth of environmental tracer information to calibrate groundwater models and highlights potential benefits of directly assimilating environmental tracer concentrations into model parameter estimation procedures.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Yb Substitution and Ultralow Thermal Conductivity of the Ca 3– x Yb x AlSb 3 (0 ≤ x ≤ 0.81(1)) System

Here, a series of Yb-substituted Zintl phases in the Ca 3–x Yb x AlSb 3 (0 ≤ x ≤ 0.81(1)) system has been synthesized by initial arc melting and post-heat treatment, and their isotypic crystal structures were characterized by both powder and single crystal X-ray diffraction analysis. All four title compounds adopted the Ca 3 AlAs 3 -type structure (space group Pnma, Pearson code oP28, Z = 4). The overall structure can be described as a combination of the 1-dimensional (1D) infinite chain of ∞ 1 [Al(Sb 2 Sb 2/2 )] formed by two vertices sharing [AlSb 4 ] tetrahedral moieties and three Ca 2+ /Yb 2+ mixed sites located in between these 1D chains. The charge balance and the resultant independency of the 1D chains in the title system were explained by the Zintl-Klemm formalism [Ca 2+ /Yb 2+ ] 3 [(4b-Al 1– )(1b-Sb 2– ) 2 (2b-Sb 1– ) 2/2 ]. A series of DFT calculations proved that (1) the band overlap between the d-orbital states from two types of cations and the p-orbital states from Sb at the high symmetry Γ point implied a heavily doped degenerate semiconducting behavior of the quaternary Ca 2 YbAlSb 3 model and (2) the site preference of Yb for the M1 site was due to the electronic-factor criterion based on the Q values of each atomic site. The electron localization function calculations also proved that the two different shapes of lone pairs of the Sb atoms—the “umbrella-shape” and the “C-shape”—are determined by local geometry and the coordination environment on the anionic frameworks. Thermoelectric measurements of the quaternary title compound Ca 2.19(1) Yb 0.81 AlSb 3 showed an approximately two times larger ZT value than that of ternary Ca 3 AlSb 3 at 623 K due to increased electrical conductivity and ultralow thermal conductivity originated from Yb substitution for Ca.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Unraveling Dimensional Tuning: From 2D to 3D in Covalent Organic Frameworks for Enhanced 2e – Oxygen Reduction Reaction

Covalent organic frameworks (COFs) with a two-dimensional (2D) topology have recently emerged as promising catalyst systems for the electrosynthesis of hydrogen peroxide (H 2 O 2 ) from oxygen (O 2 ). However, designing 2D catalysts to achieve higher H 2 O 2 selectivity presents a significant challenge because of the extensive layer stacking and the aggregated active sites located in the basal planes. It results in lower atom utilization, which requires attention. In this study, we present two functionally similar COFs: one with a 2D rhombus topology (2D@BT_TPA-COF) and another with a three-dimensional (3D) noninterpenetrated pts topology (3D@BT_TPA-COF). Both COFs were utilized for the 2e – oxygen reduction reaction (2e – ORR). Tunning the dimensionality from 2D to 3D resulted in an increase in H 2 O 2 selectivity from approximately ~56% to approximately ~96% (at 0.4 V) and a rise in the turnover frequency (TOF) from 0.05 to 0.08 s –1 at 0.3 V. Nonaggregated active site distribution over 3D topology, featuring higher active site exposure, provides better access to the O 2 /electrolyte and facilitates electron transfer leading to higher 2e – ORR activity and selectivity compared to the 2D counterpart.

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

Managing Subsurface Pressure Buildup and Interference in Commercial-Scale CO 2 Storage Project with Proximal Injection Wells

Large-scale decarbonization using carbon capture and storage (CCS) is likely to involve many commercial-scale CO 2 storage projects located in close proximity to each other. This close proximity raises concerns over pressure interference among the storage projects. Pressure interference between injection and storage efforts can reduce the practicable CO 2 storage resource and force wells to inject CO 2 at a lower rate to avoid the fracture pressure thresholds per United States Environmental Protection Agency (EPA) Class VI well regulations to preserve injection and confining zone integrity and potentially mitigate against inducing seismic activity. These analyses employ numerical full-physics reservoir modeling to evaluate how pressure buildup fronts and CO 2 plumes evolve under commercial-scale injection volumes of CO 2 in which multiple storage sites located in close proximity occur in tandem. The simulation models mimic injection at pseudo basin-scale and assume homogeneous saline formation(s) as storage targets with a pair of upper and lower homogeneous seal layer/s. These analyses specifically investigate the efficacy of two basin-wide reservoir pressure management strategies in addressing the technical challenges associated with pressure buildup and CO 2 plume commingling. The strategies explored include: 1) enlarging the area of injection well spacing (WS) and 2) storing CO 2 in a stacked sequence (SSS) of saline formations compared to a single formation. The storage and confining zones properties assumed were held common across the scenarios, unless specified otherwise. Analyses results show that after injecting 4 million tons per year for 30 years using 4 separate wells (each injecting 1 million metric tons per year), the radius of CO 2 plume extends to a mere 3 km or less from injection wells. Meanwhile, the radius of pressure buildup ranges on the order of tens to a few hundreds of kilometers, depending on the magnitude of pressure buildup threshold that one would use to define the front. CO 2 plume commingling from different injection wells appears to occur 50 years post-injection, especially under scenarios with narrowly spaced (i.e., < 5 km apart) injection well locations. Findings from sensitivity cases on the well spacing suggest that storage formations modeled would require different well spacing to avoid fracture pressure thresholds. For instance, modeled storage formations with high fracture gradients (i.e., 0.8 psi/ft) would need less than 5–km well spacing, whereas those with lower fracture gradients (i.e., 0.7 psi/ft) would need approximately 20–km well spacing, based on assumed modeling parameters. Under stacked injection, the pressure challenges (described above) still exist but are more alleviated due to distributing the same injection volume across more available reservoir volume. These analyses demonstrate that stacked-sequence storage can effectively address the challenges, while still providing the same target CO 2 storage volumes and allowing a large number of storage projects to be deployed in the same basin by better utilizing the available storage resource across different reservoir depths. Among cases modeled, the resulting pressure buildup front is most suppressed when each storage project distributes injection volumes over several wells, each of which injects a portion of the total CO 2 across the stacked sequence. This strategy results in the smallest CO 2 aerial footprint amongst scenarios evaluated but also shows the largest reduction in the pressure buildup at the top of perforation at the injection wells (upwards of approximately 42 percent compared to the commercial-scale single-formation storage), the result of which is crucial to maintain caprock integrity. The findings presented by this research draw attention to the importance of greater coordination among storage operators and regulatory stakeholders to foster the upscaling and deployment of CCS. These analyses provide insights into required decision-making when considering multi-project deployment in a shared basin. Because these analyses evaluate a very specific geologic situation, they bear further investigations across other geologic situations.

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DOE OSTI2023

Recent streamflow trends across permafrost basins of North America: Datasets

Climate change impacts, including changing temperatures, precipitation, and vegetation, are widely anticipated to cause major shifts to the permafrost with resulting impacts to hydro-ecosystems across the high latitudes of the globe. However, it is challenging to examine streamflow shifts in these regions owing to a paucity of data, discontinuity of records, and other issues related to data consistency and accuracy. We looked at recent changes in streamflow over 1976-2021 in watersheds affected by varying degrees of permafrost coverage to characterize trends and drivers for a range of watersheds across North America. Data sets are described in detail in the paper associated with this data set, Bennett et al. 2023, Front. Water - Water and Critical Zone, DOI: 10.3389/frwa.2023.1099660.These data contain CSV files of the streamflow, climate, and land surface characteristics for several sites located across the high latitude regions of North America. Both observed and reanalysis data products are provided. These files can be opened using Excel or a text editor, or they can be read, and analyzed in software tools such as Python or R. A brief description of the files is below, and more details can be found in the Methods section.rabpro_stats_north_select_74_55m.csv - This file describes the observed gages used in the analysis.GF31_23_metadat.csv - This file describes the 23 permafrost systems. Columns are as described in rabpro_stats_north_select_74_55m.csv above, with rabpro_id, the id used for the timeseries file mapping in GF31_23_time_series.csv.GF31_23_time_series.csv - This file contains the time series data for the stations described in GF31_23_metadat.csv.GF31_random_reaches_1583.csv - This file describes the 1583 randomly selected permafrost-dominant sites for machine learning analysis.era5_GF31_monthly_vars_random_reaches_1583.csv - This file contains the monthly ERA5 land data for the 1583 randomly selected permafrost-dominant sites.observed.zip: USGS and Hydat station data for the 74 gages analyzed in this study. Monthly, seasonal, and annual streamflow observations for minimum streamflow, mean streamflow, and maximum streamflow. Units are m3/sec. 1975-2022.streamflow_daily_GF31_infilled_1979_2022.csv - infilled daily streamflow data (infilled using GloFAS v 3.1) for 55 gages. Units are m3/sec. 1979-2022.glofas_23.zip - Glofas v3.1 file for the 23 permafrost-dominant gages in the study. Monthly, seasonal, and annual streamflow observations for minimum streamflow, mean streamflow, and maximum streamflow. Units are m3/sec. 1979-2021.glofas_1583.zip - Glofas v3.1 file for the 1583 randomly selected permafrost-dominant gages in the study. Monthly, seasonal, and annual streamflow observations for minimum streamflow, mean streamflow, and maximum streamflow. Units are m3/sec. 1979-2021.

54 ENVIRONMENTAL SCIENCES↗