Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “surface waters”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

What can the GRACE seasonal cycle tell us about lake-aquifer interactions?

Lake-aquifer interactions have been the subject of investigation and debate for decades. Traditional investigation methods include measurement of water flux across the groundwater-surface water interface, application of heat and environmental tracer methods, conducting numerical simulations of the water flow, and mass balance-based approaches. We first review, evaluate and describe the different approaches that have been applied for examining lake-aquifer interactions and propose an additional complementary approach. While the leakage from lakes and its slow movement through porous media (laminar flow) is well characterized by existing methods, modeling the rapid and turbulent flow through preferred pathways (faults/karst) remains a challenging task. To better understand the nature, and the full scale, of the lake aquifer interactions, and using Lake Nasser and the underlying Dakhla subbasin of the Nubian Sandstone Aquifer System (NSAS) in the Western Desert of Egypt (area: 0.66 x 10 6 km 2 ) as a test site, we examine, model, and correlate temporally and spatially, the variations in Gravity Recovery and Climate Experiment terrestrial water storage (GRACE TWS ) solutions, with precipitation, lake levels, area, and water volume. We review current GRACE applications in hydrology and present our novel approach. Findings include: firstly, large seasonal fluctuations (peak: Nov./Dec.; trough: July/Aug.) in Lake Nasser's surface water levels (average annual fluctuations: from 3.7 m to 7.5 m), area (average area: 3622 km 2 but up to 4530 km 2 ), and volume (annual average: 13.4 km 3 , and up to 34 km 3 ) are observed throughout years 2006 to 2015. These fluctuations are accompanied by an increase in GRACE TWS (average: 50 ± 13 mm/yr, up to 77 ± 18 mm/yr) over Lake Nasser and by a progression of a front of increasing GRACE TWS values (> 50 ± 13 mm) away from the lake reaching distances of up to 700 km some 3 to 5 months following peak lake level periods. The areas witnessing the seasonal increase in GRACE TWS display a progressive increase in phase and decrease in amplitude with distance from the lake. Secondly, the negligible precipitation over the Dakhla subbasin cannot account for the observed seasonal GRACE TWS patterns and neither can the leakage signal from Lake Nasser. Thirdly, overall similarities in the distribution of GRACE TWS seasonal spatial patterns are observed. During high lake level periods (e.g., Dec. 2007; Feb. 2015) additional, and more distant, areas from Lake Nasser saw increases in GRACE TWS and vice versa during low lake level periods (e.g., July 2006; Aug. 2010). These observations are consistent with Lake Nasser being the main source of modern recharge for the Dakhla subbasin and suggest a new conceptual model for the subbasin: a slow groundwater flow through a porous matrix and a rapid groundwater flow along a network of faults, fractures, and karst topography across the matrix. We suggest that the proposed conceptual model for the interaction between Lake Nasser and the Dakhla subbasin could be applicable to aquifers of similar geologic, climatic, and hydrologic settings worldwide and that approaches similar to those advocated here could be used to investigate the validity of this suggestion.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Applying the core-satellite species concept: Characteristics of rare and common riverine dissolved organic matter

Introduction: Dissolved organic matter (DOM) composition varies over space and time, with a multitude of factors driving the presence or absence of each compound found in the complex DOM mixture. Compounds ubiquitously present across a wide range of river systems (hereafter termed core compounds) may differ in chemical composition and reactivity from compounds present in only a few settings (hereafter termed satellite compounds). Here, we investigated the spatial patterns in DOM molecular formulae presence (occupancy) in surface water and sediments across 97 river corridors at a continental scale using the “Worldwide Hydrobiogeochemical Observation Network for Dynamic River Systems—WHONDRS” research consortium. Methods: We used a novel data-driven approach to identify core and satellite compounds and compared their molecular properties identified with Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR MS). Results: In this work, we found that core compounds clustered around intermediate hydrogen/carbon and oxygen/carbon ratios across both sediment and surface water samples, whereas the satellite compounds varied widely in their elemental composition. Within surface water samples, core compounds were dominated by lignin-like formulae, whereas protein-like formulae dominated the core pool in sediment samples. In contrast, satellite molecular formulae were more evenly distributed between compound classes in both sediment and water molecules. Core compounds found in both sediment and water exhibited lower molecular mass, lower oxidation state, and a higher degree of aromaticity, and were inferred to be more persistent than global satellite compounds. Higher putative biochemical transformations were found in core than satellite compounds, suggesting that the core pool was more processed. Discussion: The observed differences in chemical properties of core and satellite compounds point to potential differences in their sources and contribution to DOM processing in river corridors. Overall, our work points to the potential of data-driven approaches separating rare and common compounds to reduce some of the complexity inherent in studying riverine DOM.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Geoelectric Characterization of Hyporheic Exchange Flow in the Bedrock‐Lined Streambed of East Fork Poplar Creek, Oak Ridge, Tennessee

Abstract A multimethod geoelectric survey was implemented between January and March 2022 along a 220‐m long reach of the bedrock‐lined streambed of East Fork Poplar Creek in Oak Ridge, Tennessee to identify locations of surface‐water and groundwater exchange and characterize the subsurface flow paths that convey water between the stream and flood plain. A waterborne self‐potential (WaSP) survey was completed in January 2022 to measure the electric streaming‐potential field in the stream. Electric resistivity tomography (ERT) was performed in March 2022 on the flood plain adjacent to the WaSP survey reach to map the electric resistivity distribution and characterize the hydrogeology and subsurface flow paths that facilitate surface‐water and groundwater exchange in the bedrock‐lined stream. The combination of WaSP and ERT data support the qualitative interpretation that surface‐water and groundwater exchange likely occurs along fractures in outcropping bedrock and along two fault lines that intersect the limestone creek bed.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Long-term hydro-economic analysis tool for evaluating global groundwater cost and supply: Superwell v1.1

Abstract. Groundwater plays a key role in meeting water demands, supplying over 40 % of irrigation water globally, with this role likely to grow as water demands and surface water variability increase. A better understanding of the future role of groundwater in meeting sectoral demands requires an integrated hydro-economic evaluation of its cost and availability. Yet substantial gaps remain in our knowledge and modeling capabilities related to groundwater availability, recharge, feasible locations for extraction, extractable volumes, and associated extraction costs, which are essential for large-scale analyses of integrated human–water system scenarios, particularly at the global scale. To address these needs, we developed Superwell, a physics-based groundwater extraction and cost accounting model that operates at sub-annual temporal and at the coarsest 0.5° (≈50 km × 50 km) gridded spatial resolution with global coverage. The model produces location-specific groundwater supply–cost curves that provide the levelized cost to access different quantities of available groundwater. The inputs to Superwell include recent high-resolution hydrogeologic datasets of permeability, porosity, aquifer thickness, depth to water table, recharge, and hydrogeological complexity zones. It also accounts for well capital and maintenance costs, as well as the energy costs required to lift water to the surface. The model employs a Theis-based scheme coupled with an amortization-based cost accounting formulation to simulate groundwater extraction and quantify the cost of groundwater pumping. The result is a spatiotemporally flexible, physically realistic, economics-based model that produces groundwater supply–cost curves. We show examples of these supply–cost curves and the insights that can be derived from them across a set of scenarios designed to explore model outcomes. The supply–cost curves produced by the model show that most (90 %) nonrenewable groundwater in storage globally is extractable at costs lower than USD 0.57 m−3, while half of the volume remains extractable at under USD 0.108 m−3. The global unit cost is estimated to range from a minimum of USD 0.004 m−3 to a maximum of USD 3.971 m−3. We also demonstrate and discuss examples of how these cost curves could be used by linking Superwell's outputs with other models to explore coupled human–environmental system challenges, such as water resources planning and management, or broader analyses of multisectoral feedbacks.

Global Change Analysis Model (GCAM)↗
DOE OSTI2022

Interactions between molecular-scale processes and hyporheic exchange for understanding Fe-S-C cycling in riparian wetlands (Final Report)

Wetlands represent some of the most productive ecosystems on the planet and critically influence global environmental health. Specifically, wetlands promote water quality by transforming nutrients and organic compounds and sequestering metals and contaminants. Riparian wetland hyporheic zones, where toxic surface water and anoxic groundwater mix, exhibit dynamic conditions that drive steep redox gradients and promote hotspots of diverse and fluctuating microbial activity. Changes in climate, water quality, and water quantity can disturb hydrologic flow and biogeochemical processing in these environments. Understanding how sulfate loading, impacted by hydrologic flux and anthropogenic inputs, influences iron and carbon cycling in wetlands will be crucial for predicting water quality issues driven by iron mineral precipitation and sorption, such as the release of heavy metals and other toxic elements. We used a fully integrated multi-scale and multi-method approach to develop a mechanistic understanding of how hydrologic flow influences coupled iron and sulfur cycles in riparian wetlands. This entailed hydrological, geochemical, and microbial observations at two locations: an anthropogenic sulfate-impacted riparian wetland in northern Minnesota, and a low-sulfate Fe-rich riparian wetland in Tims Branch at the Savannah River Site (SRS). These sites were characterized by hydrologically dynamic conditions where the stream and wetland systems oscillated between gaining (upward flow) and losing (downward flow) conditions that recharged the system occasionally with oxidants that fueled a variety of biogeochemical reactions. Aqueous geochemical measurements of surface water, groundwater, and porewater samples were made alongside solid-phase geochemical analyses of sediment gravity cores. Bulk X-ray absorption spectroscopy at the Advanced Photon Source (APS; Argonne) interrogated the speciation and distribution of Fe and S mineral phases of the sediments. Interestingly, it was discovered that, despite strongly reducing conditions, Fe(III) compounds and a variety of intermediate valence S compounds were stable in the subsurface. Indeed, compounds like thiosulfate, S(0), and intermediate valence organosulfur compounds were more prevalent than FeS and pyrite. The composition of the sediments did change with changes in hydrologic flow, showing their reactivity in changing redox conditions. The abundance of these intermediate S compounds was likely formed as a result of anaerobic oxidation by aqueous and solid-phase Fe(III) compounds, fueling a cryptic S cycle that is driving the breakdown of organic matter in the hyporheic zone. Microbiome surveys showed a core community that seemed stable across the landscape, but changed with increasing depth into the sediment. The community composition did not seem to change dramatically with changes in season or hydrologic flow, except for some organisms that have the potential to contribute to S cycling. More work is needed to confirm their functional activity. These fine process-scale analyses were placed within a dynamic field context using physical flow parameters from surface water and groundwater level measurements. These data helped shed light on sulfur-driven biogeochemical processes in hydrologically dynamic riparian wetlands, addressing a gap in our understanding about the impacts of pollution and other anthropogenic changes on ecologically sensitive environments.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Magnetically Recoverable and Reusable Titanium Dioxide Nanocomposite for Water Disinfection

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

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

HarDWR - Harmonized Water Rights Records

For a detailed description of the database of which this record is only one part, please see the HarDWR meta-record. Here we present a new dataset of western U.S. water rights records. This dataset provides consistent unique identifiers for each spatial unit of water management across the domain, unique identifiers for each water right record, and a consistent categorization scheme that puts each water right record into one of 7 broad use categories. These data were instrumental in conducting a study of the multi-sector dynamics of intersectoral water allocation changes through water markets (Grogan et al., in review). Specifically, the data were formatted for use as input to a process-based hydrologic model, WBM, with a water rights module (Grogan et al., in review). While this specific study motivated the development of the database presented here, U.S. west water management is a rich area of study (e.g., Anderson and Woosly, 2005; Tidwell, 2014; Null and Prudencio, 2016; Carney et al, 2021) so releasing this database publicly with documentation and usage notes will enable other researchers to do further work on water management in the U.S. west. The raw downloaded data for each state is described in Lisk et al. (in review), as well as here. The dataset is a collection of objects stored within an RDate file, stateWaterRightsHarmonized.RData. Each object either describes how one should interact with the other objects, or contains the harmonized water rights data. Here is each object described in detail: states: A character vector containing the state names for those states in which data was collected for. More importantly, the index of the state name is also the index in which that state's data can be found in the various following list objects. For example, if California is the third index in this object, the data for California will also be in the third index for each accompanying list. rightsByState_ground: A list of data frames with the cleaned ground water rights collected from each state. The column headers for each data frame are: waterRightID - The unique identifying ID of the water right, the same identifier as its state uses. basinNum - The alpha-numeric identifier of the WMA the record belongs to. priorityDate - The priority date associated with the right. allocatedFlow - The maximum flow of the allocation in cubic feet per second (ft3s-1). source - Whether the right is for surface water or groundwater. origWaterUse - The original stated water use from the state. waterUse - The water use category under the unified use categories established here. rightsByState_surface: A list of the cleaned surface water rights collected from each state. See rightsByState_ground for more details on how the data is formatted. fullRightsRecs: A list of the combined groundwater and surface water records for each state. Essentially, these lists are the merging of rightsByState_ground and rightsByState_surface by state. See rightsByState_ground for more details on how the data is formatted. projProj: The spatial projection used for map creation in the beginning of the project. Specifically, the World Geodetic System (WGS84) as a coordinate reference system (CRS) string in PROJ.4 format. wmaStateLabel: The name and/or abbreviation for what each state legally calls their WMAs. h2oUseByState: A list of spatial polygon data frames which contain the area(s) in which each water right is claimed to be used. It should be noted that not all water right records have a listed area(s) of use in this object. Currently, only Idaho and Washington provided valid data to be included in this object. h2oDivByState: A list of spatial points data frames which identifies the location of the Point of Diversion for the state's water rights. It should be noted that not all water right records have a listed Point of Diversion in this object. spatialWMAByState: A list of spatial polygon data frames which contain the spatial WMA boundaries for each state. The only data contained within the table are identifiers for each polygon. It is worth reiterating that Arizona is the only state in which the surface and groundwater WMA boundaries are not the same. wmaIDByState: A list which contains the unique ID values of the WMAs for each state. plottingDim: A character vector used to inform mapping functions for internal map making. Each state is classified as either "tall" or "wide", to maximize space on a typical 8x11 page.

Economics↗
DOE OSTI2021

Metal Removal by a Free Surface Constructed Wetland and Prediction of Metal Bioavailability and Toxicity with Diffusive Gradients in Thin Films (DGT) and Biotic Ligand Model (BLM)

The H-02 constructed wetland is a free water surface wetland to remove copper (Cu) and zinc (Zn) from the industrial wastewater. In this study, we evaluated the performance of the wetland from 2018 to 2019 and coupled the diffusive gradients in thin films (DGTs) and biotic ligand model (BLM) to explore metal speciation and bioavailability in wetland waters. Surface water samples were collected and piston DGTs were deployed in different sites of the wetland. The H-02 wetland functioned well during the sampling period with high removal efficiencies (Cu: 73.8 ± 1.2% and Zn: 75.2 ± 16.0%). In our study, with the assumption that the combination of BLM predicted inorganic metals species, BLM Cu(II) and BLM Zn(II), were the bioavailable and toxic species, DGT-Cu did not correlate to BLM Cu(II) (P = 0.47), but DGT-Zn positively correlated to BLM Zn(II) (R 2 = 0.35, P < 0.001). Compared to the modeling results of BLM, DGT-indicated labile and/or bioavailable Cu included not only free Cu ions and inorganic Cu complexes but also a high percentage of Cu-labile organic matter complexes. DGT-indicated Zn included free Zn ion, inorganic Zn, and only a low percentage of Zn-labile organic matter complexes. Our findings illustrated the appropriate use of passive sampling techniques and geological modeling when biomonitoring could be substituted. Furthermore, the close monitoring of metal concentrations, speciation, and bioavailability helps us understand metal biogeochemistry and metal removal processes and ensure the long-term sustainability of the constructed wetland.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

A Novel Freshwater to Marine Evolutionary Transition Revealed within Methylophilaceae Bacteria from the Arctic Ocean

Bacteria inhabiting polar oceans, particularly the Arctic Ocean, are less studied than those at lower latitudes. Discovering bacterial adaptations to Arctic Ocean conditions is essential for understanding responses to the accelerated environmental changes occurring in the North. The Methylophilaceae are emerging as a model for investigating the genomic basis of habitat adaptation, because related lineages are widely distributed across both freshwater and marine ecosystems. Here, we investigated Methylophilaceae diversity in the salinity-stratified surface waters of the Canada Basin, Arctic Ocean. In addition to a diversity of marine OM43 lineages, we report on the genomic characteristics and evolution of a previously undescribed Methylophilaceae clade (BS01) common to polar surface waters yet related to freshwater sediment Methylotenera species. BS01 is restricted to the lower-salinity surface waters, while OM43 is found throughout the halocline. An acidic proteome supports a marine lifestyle for BS01, but gene content shows increased metabolic versatility compared to OM43 and evidence for ongoing genome-streamlining. Phylogenetic reconstruction shows that BS01 colonized the pelagic ocean independently of OM43 via convergent evolution. Salinity adaptation and differences in one-carbon and nitrogen metabolism may play a role in niche differentiation between BS01 and OM43. In particular, urea utilization by BS01 is predicted to provide an ecological advantage over OM43 given the limited amount of inorganic nitrogen in the Canada Basin. These observations provide further evidence that the Arctic Ocean is inhabited by distinct bacterial groups and that at least one group (BS01) evolved via a freshwater to marine environmental transition.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

HarDWR - Cumulative Water Rights Curves

A dataset within the Harmonized Database of Western U.S. Water Rights (HarDWR). For a detailed description of the database, please see the meta-record v2.0. Changelog v2.0 - Recalculated based on Harmonized Water Rights Records v2.0 sourced from WestDAAT - Added "Unspecified" was a water source category, and files associated with this category v1.01 - Updated the names of each file with an ID number less than 3 digits to include leading 0s v1.0 - Initial public release Description This product an updated version of the database used as input to the WBM model (Grogan et al. in review; Grogan et al. 2022), and is the result of the step creating cumulative water rights curves described in Lisk et al. (2024). This database contains 2,667 individual .csv files, three for each Water Management Area (WMA) in the 11-state region. File Naming WMA_[###]_[X]W.csv, where [###] is the unique identifier for each WMA, and [X] is either "S" for surface water rights, "G" for groundwater rights, or "U" for unspecified. Column headers in each file: Year: the priority date year CUML: the total cumulative water rights allocated up to this priority date year (ft3s-1) Irrigation: The percent of cumulative water rights allocated to the Irrigation category up to this priority date year (%) Domestic: The percent of cumulative water rights allocated to the Domestic category up to this priority date year (%) Livestock: The percent of cumulative water rights allocated to the Livestock category up to this priority date year (%) Fish: The percent of cumulative water rights allocated to the Fish category up to this priority date year (%) Industrial: The percent of cumulative water rights allocated to the Industrial category up to this priority date year (%) Environmental: The percent of cumulative water rights allocated to the Environmental category up to this priority date year (%) Other: The percent of cumulative water rights allocated to the Other category up to this priority date year (%) In addition to the database files, there is a companion .csv file, called stateWMAs_ID.csv. The main purpose of this file is to provide the means of translating between the [###] unique identifier and the various other id of the WMA the file is attached to. This translation file has five columns, which are: basinNum: The official state given alpha-numeric identifier of the WMA basinName: the state provided English name of the area, where applicable state: the state name uniID: a unique identifier we created by concatenating the state name, and underscore, and the state numerical ID ID: a unique numeric identifier we created as a requirement for the files to be used within WBM (Grogan et al. in review) For those whom may be interested in exploring our code more in depth, we are also making available an internal data file for convenience. The file is in .RData format and contains everything described above as well as some minor additional objects used within the code calculating the cumulative curves. For completeness, here is a detailed description of the various objects which can be found within the .RData file: states: A character vector containing the state names for those states in the study region. More importantly, the index of the state name is also the index in which that state's data can be found in the various following list objects. For example, if California is the second index in this object, the data for California will also be in the second index for each accompanying list. wmasRightsPersGrd: A list of nested lists of data frames. Each state has one entry in the top level list and consist of a list with one data frame per WMA. The data frames in this object are the same as the above described .csv files, specifically for groundwater. wmasRightsPersSur: A list of nested lists of data frames. Each state has one entry in the top level list and consist of a list with one data frame per WMA. The data frames in this object are the same as the above described .csv files, specifically for surface water. wmasRightsPersUnsp: A list of nested lists of data frames. Each state has one entry in the top level list and consist of a list with one data frame per WMA. The data frames in this object are the same as the above described .csv files, specifically for water from an unspecified source. wmasRightsTotsGrd: A list of nested lists of data frames. Each state has one entry in the top level list and consist of a list with one data frame per WMA. The values in the data frames of this object would be the equivalent to multiplying the CUML column by the sector percentage columns to create the sector total ft3s-1, specifically for groundwater. This object is provided for convenience to check out original total values, if desired. wmasRightsTotsSur: A list of nested lists of data frames. Each state has one entry in the top level list and consist of a list with one data frame per WMA. The values in the data frames of this object would be the equivalent to multiplying the CUML column by the sector percentage columns to create the sector total ft3s-1, specifically for surface water. This object is provided for convenience to check out original total values, if desired. wmasRightsTotsUnsp: A list of nested lists of data frames. Each state has one entry in the top level list and consist of a list with one data frame per WMA. The values in the data frames of this object would be the equivalent to multiplying the CUML column by the sector percentage columns to create the sector total ft3s-1, specifically for water from an unspecified source. This object is provided for convenience to check out original total values, if desired. wmaIDByState: A list of data frames which contain the by state allocation by WMA matrix. There is a matrix for each state in a different data frame within the object.

Economics↗
DOE OSTI2023

Spatial and temporal metagenomics of river compartments reveals viral community dynamics in an urban impacted stream

Although river ecosystems constitute a small fraction of Earth’s total area, they are critical modulators of microbially and virally orchestrated global biogeochemical cycles. However, most studies either use data that is not spatially resolved or is collected at timepoints that do not reflect the short life cycles of microorganisms. To address this gap, we assessed how viral and microbial communities change over a 48-hour period by sampling surface water and pore water compartments of the wastewater-impacted River Erpe in Germany. We sampled every 3 hours resulting in 32 samples for which we obtained metagenomes along with geochemical and metabolite measurements. From our metagenomes, we identified 6,500 viral and 1,033 microbial metagenome assembled genomes (MAGs) and found distinct community membership and abundance associated with each river compartment (e.g., Competibacteraceae in surfacewater and Sulfurimonadaceae in pore water). We show that 17% of our viral MAGs clustered to viruses from other ecosystems like wastewater treatment plants and rivers. Our results also indicated that 70% of the viral community was persistent in surface waters, whereas only 13% were persistent in the pore waters taken from the hyporheic zone. Finally, we predicted linkages between 73 viral genomes and 38 microbial genomes. These putatively linked hosts included members of the Competibacteraceae, which we suggest are potential contributors to river carbon and nitrogen cycling via denitrification and nitrogen fixation. Together, these findings demonstrate that members of the surface water microbiome from this urban river are stable over multiple diurnal cycles. These temporal insights raise important considerations for ecosystem models attempting to constrain dynamics of river biogeochemical cycles.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

ParFlow Sand Tank: A tool for groundwater exploration

The ParFlow Sand Tank model is an open source application designed to allow users to interactively simulate and visualize groundwater movement through the subsurface. The app is designed for both research and education; teaching hydrogeology concepts and making it easy explore and run sophisticated groundwater simulations. Our goal is to support increased accessibility and usability of research grade hydrology tools for research and teaching. The Sand Tank application simulates groundwater and surface water fluxes as well as contaminant transport in real time using the integrated physical hydrology model ParFlow (Kollet & Maxwell, 2006; Maxwell & Miller, 2005; Osei-Kuffuor et al., 2014) and the particle tracking code EcoSlim (Maxwell et al., 2019). ParFlow is a numerical hydrology model that simulates spatially distributed groundwater and surface water flow. It is a well established research tool with more than 90 publications documenting its development use to advance our understanding of groundwater dynamics and groundwater surface water interactions from the hillslope to the continental scale e.g. (Condon et al., 2020; Condon & Maxwell, 2019; Maxwell & Condon, 2016). It is designed for efficient parallel computation and has been run on many platforms spanning from laptops to supercomputers. However, one of the challenges of ParFlow is that it requires significant training and hydrologic expertise to develop simulations. The Sand Tank application makes this model accessible to anyone for education and exploration. Our application uses ParFlow for its simulation backend and ParaView for the data loading and processing. The communication infrastructure relies on the ParaViewWeb framework. We use model templates deployed in Docker images to setup the Sand Tank framework. Users can build the application locally or interact with it through our web deployment. When interacting with a template users can interactively change model parameters like subsurface processes or pump/inject water into the subsurface and watch the system respond to their changes in real time as the simulation runs. Additionally, our template setup will allow more advanced users to build custom templates of increasing complexity for both research and educational purposes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Alpha Spectrometry Results for Groundwater Samples Collected in Northern Iraq and a Summary of the Environmental Setting of the Adaya Burial Site

The Radiation Protection Center (RPC) of the Iraqi Ministry of Environment continues to evaluate the potential health impacts associated with the Adaya Burial Site, which is located 33 kilometers (20.5 miles) southwest of Mosul. This report documents the radiological analyses of 16 groundwater samples collected from wells located in the vicinity of the Adaya Burial Site and at other sites in northern Iraq. The Adaya Burial Site is a high-risk dump site because a large volume of radioactive material and contaminated soil is located on an unsecure hillside above the village of Tall ar Ragrag. The uranium activities for the 16 water samples in northern Iraq are considered to be naturally occurring and do not indicate artificial (man-made) contamination. With one exception, the alpha spectrometry results for the 16 wells that were sampled in 2019 indicate that the water quality concerning the three uranium isotopes (Uranium-233/234, Uranium-235/236, and Uranium-238) was acceptable for potable purposes (drinking and cooking). However, Well 7 in Mosul had a Uranium-233/234 activity concentration that slightly exceeded the World Health Organization guidance level. Eight of the 16 wells are located in the villages of Tall ar Ragrag and Adaya and had naturally occurring uranium concentrations. Wells in the villages of Tall ar Ragrag and Adaya are located near the Adaya Burial Site and should be sampled on an annual schedule. The list of groundwater analytes should include metals, total uranium, isotopic uranium, gross alpha/beta, gamma spectroscopy, organic compounds, and standard water quality parameters. Our current understanding of the hydrogeologic setting in the vicinity of the Adaya Burial Site is solely based on villager's domestic wells, topographic maps, and satellite imagery. To better understand the hydrogeologic setting, a Groundwater Monitoring Program needs to be developed and should include the installation of twelve groundwater monitoring wells in the vicinity of Tall ar Ragrag and the Adaya Burial Site. Characterization of the limestone aquifer and overlying alluvium is needed. RPC should continue to support health assessments for the villagers in Tall ar Ragrag and Adaya. Collecting samples for surface water (storm water), airborne dust, vegetation, and washway sediment should be conducted on a routine basis. Human access to the Adaya Burial Site needs to be strictly limited. Livestock access on or near the burial site needs to be eliminated. The surface-water exposure pathway is likely a greater threat than the groundwater exposure pathway. Installation of a surface-water diversion or collection system is recommended in order to reduce the potential for humans and livestock to come in contact with contaminated water and sediment. To reduce exposure to villagers, groundwater treatment should be considered if elevated uranium or other contaminants are detected in drinking water. Installing water-treatment systems would likely be quicker to accomplish than remediation and excavation of the Adaya Burial Site. The known potential for human exposure to uranium and metals (such as arsenic, chromium, selenium, and strontium) at the Adaya Burial Site is serious. Additional characterization , mitigation, and remediation efforts should be given a high priority.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Spatiotemporal Analyses of Groundwater and Shoreline Cr(VI) Concentrations in the 100 Areas at Hanford

Cleanup efforts have been ongoing since the late 1990s to remediate contaminated waste sites and groundwater in the 100 Areas at the U.S. Department of Energy (DOE) Hanford Site. One of the primary contaminants of concern is hexavalent chromium (Cr(VI)), which was used as a corrosion inhibitor in cooling water for nuclear reactors that formerly operated along the shoreline of the Columbia River. Cleanup efforts have included 1) removal, treatment (as needed), and disposal of contaminated sediments; 2) in situ redox manipulation as a permeable reactive barrier; 3) pump-and-treat; 4) soil flushing; and 5) monitored natural attenuation. DOE’s annual groundwater monitoring reports document the significant reductions in Cr(VI) plume areas that have occurred over the past 10 years or more as a result of these cleanup efforts. The Record of Decision for the 100-HR-3 operable unit specified a cleanup level (CUL) for Cr(VI) in groundwater of 48 µg/L to protect human receptors, and a surface water CUL of 10 µg/L to protect aquatic organisms in the Columbia River. The Record of Decision did not specify point-of-compliance locations for the surface water CUL. Data for 2019 from the six groundwater operable units (OUs) in the 100 Areas indicate that the 48 μg/L groundwater CUL has been achieved in 100% of the wells in the 100-BC and 100-NR OUs, and in 89- 97% of the wells in the other OUs (100-KR, 100-HR-D, 100-HR-H, 100-FR). Data for 2019 indicate that 100% of the aquifer tubes monitored for Cr(VI) in the 100 Areas have concentrations below the 48 μg/L groundwater CUL. However, the 10 μg/L standard has not yet been consistently achieved for both inland groundwater monitoring wells and shoreline aquifer tubes. This report describes a series of data analyses performed to identify consistent relationships, if any, between inland well and shoreline Cr(VI) concentrations within the 100 Areas. To this end, select monitoring data for Cr(VI) measured in groundwater and aquifer tubes at the 100 Areas were analyzed for a 10-year period—2010 to 2019. Relationships between inland groundwater plumes and surface-water points of discharge in and along the Columbia River were examined through several analyses that included inland well and aquifer tube concentrations as a function of distance from the shoreline, evaluation of cumulative probability plots, trend analysis, correlation analysis, cluster analysis, and identification of plume trajectories for each of the 100 Areas. The analyses did not identify consistent relationships between inland groundwater Cr(VI) concentrations and shoreline concentrations within the 100 Areas due to several confounding factors influencing groundwater flow directions and Cr(VI) concentrations. The proximity of groundwater Cr(VI) plumes to the river, and the highly dynamic nature of the river, influence the transport behavior of the plumes and create challenges for quantifying attenuation of Cr(VI) between the inland monitoring wells and shoreline concentrations. Other factors contributing to temporal and spatial Cr(VI) concentrations, as supported by some of the data analyses, include the presence of vadose zone sources, variable sorption behavior, and complexities associated with Cr(VI) mass transfer between the upper and lower aquifers and their interactions with the river. Hence, monitoring to assess compliance with target CULs will need to be determined for each area individually since several factors influence Cr(VI) concentrations in the 100 Areas.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

A Dose Assessment Model for Radioactive Waste Exposed by Gully Erosion at West Valley - 20513

The Western New York Nuclear Service Center (WNYNSC), located approximately 48 km south of Buffalo, New York, is the site of a former nuclear fuel reprocessing and radioactive waste disposal facility. Spent nuclear fuel was processed there from 1966 to 1972, leaving behind radioactive and chemical wastes in two disposal areas and a waste tank farm. Site operations also resulted in releases of radioactivity to site soils, groundwater, and to surface waters draining the site. The New York State Energy Research and Development Authority (NYSERDA) and the U.S. Department of Energy (DOE) are collaborating in a process of decision making for decommissioning those facilities remaining at the WNYNSC following the completion of Phase 1 decommissioning. Neptune and Company, Inc. (Neptune) was contracted to develop a probabilistic performance assessment (PPA) computer model to assist the agencies in this process. The PPA Model includes a contaminant transport component focusing on the movement of contaminants within and among environmental media including groundwater and surface water transport, contaminant translocation by plants and animals, diffusion, and erosion. The model also includes evaluation of potential exposure and health effects for a Resident Farmer exposure scenario, where the Resident Farmer represents a critical group, described as that group of individuals reasonably expected to receive the greatest exposure to residual radioactivity for any applicable set of circumstances. The West Valley Site is located in the glaciated Allegheny Plateau region of western New York State. The waste reprocessing and disposal areas were constructed on a relatively fat area of plateau dissected by drainages of Buttermilk Creek, including Erdman Brook, Franks Creek, and Quarry Creek. An important aspect of the contaminant transport component of the PPA model is consideration of erosive processes such as slumping of the stream slopes and the advance of gullies from these streams. These erosion processes remove material from the plateau, growing the size of the creek valleys and making them wider and deeper. Of particular interest for the impact of erosion is radioactive waste contained in the Nuclear Regulatory Commission (NRC)-Licensed Disposal Area (NDA), the New York State-Licensed Disposal Area (SDA), and residual radiological inventory in the underground storage tanks at the Waste Tank Farm (WTF). The PPA Model is organized around geographically-defined facilities which were constructed upon the plateau, including the NDA, SDA, and WTF. Ongoing stream erosion processes will potentially transfer radioactive waste and residual inventory from these facilities to the ground surface on adjacent hillslope areas where erosion has breached the facility. Hence, it is important to evaluate the consequences of potential exposures to a Resident Farmer on the hillslopes below a breached facility. Two interrelated aspects of the dose assessment model related to hillslope exposure are discussed: 1) representation of the physical processes related to transport of radionuclides from facilities onto the hillslopes, and from the hillslopes into adjoining creeks where contaminated material migrates downstream with surface water and sediment, and; 2) adaptation of the activities associated with the Resident Farmer scenario to assess potential exposures to contamination in the hillslope areas. This discussion will cover the conceptual basis of the hillslope exposure and transport models, and also implementation in the PPA computer model. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Idaho National Laboratory Site Environmental Surveillance Program: Fourth Quarter 2022

This report for the fourth quarter of 2022 contains results from the INL Site environmental surveillance program’s monitoring of the U.S. Department of Energy’s Idaho National Laboratory (INL) Site’s Onsite, Boundary and Offsite location environment, October 1 through December 31, 2022. All sample types (media) and the sampling schedule followed during 2022 are listed in Appendix A. This report contains results for the following sample types: • Air, including particulate air filters, charcoal cartridges, and atmospheric moisture, • Quarterly composites, • Precipitation, • Drinking and surface water, • Milk, • Potatoes, • Soil, • Large game animals, • Waterfowl, and • OSLDs.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2023

Chemodiversity of riverine dissolved organic matter: Effects of local environments and watershed characteristics

Riverine dissolved organic matter (DOM) is crucial to global carbon cycling and aquatic ecosystems. However, the geographical patterns and environmental correlates of DOM chemodiversity remain elusive especially in surface waters and sediments of global rivers. Here, we systematically analyzed DOM molecular diversity and composition in surface waters and sediments across 97 globally distributed rivers using data from the Worldwide Hydrobiogeochemistry Observation Network for Dynamic River Systems (WHONDRS) consortium. Here, we further examined the associations of molecular richness and composition with geographical, climatic, physicochemical variables, as well as the watershed characteristics. We found that molecular richness significantly decreased toward higher latitudes, but only in sediments (r = -0.24, P < 0.001). The environmental variables like precipitation and non-purgeable organic carbon showed strong associations with DOM molecular richness and composition. Interestingly, we identified that less-documented factors like watershed characteristics were also related to DOM molecular richness and composition, and were stronger in waters than sediments. Such associations were further supported by the fact that 11 out of 13 watershed characteristics (e.g., land cover variables) showed more positive than negative correlations with molecular abundance especially in waters. The molecules positively and negatively correlated with specific watershed characteristics had distinct traits, such as stoichiometric ratios and aromaticity. Land covers shifted from natural (e.g., forests) to human-modified (e.g., impervious area) were associated with systematic changes in DOM molecular chemistry. Our findings imply that it may be possible to use a small set of broadly available data types to predict DOM molecular richness and composition across diverse river systems. Elucidation of mechanisms underlying these relationships will provide further enhancements to such predictions, especially when extrapolating to unsampled systems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Surface structure of water from soft X-ray second harmonic generation

The microscopic structure of water’s surface is crucial to many natural and industrial processes, but studying its hydrogen bond (H-bond) network directly remains challenging due to the required interfacial sensitivity of experimental techniques. By leveraging advances in flat liquid sheet microjets and terawatt-scale attosecond soft X-ray pulses from the LCLS X-ray free electron laser, we employed soft X-ray second harmonic generation (SXSHG) spectroscopy to examine the liquid water/vapor interface. SXSHG combines the elemental selectivity of X-ray spectroscopies with the surface selectivity of SHG and gives access to the electronic structure of interfacial species. Here, we show the SXSHG spectrum differs from bulk water’s X-ray absorption, with its peak shifted several eV, indicating a vastly different electronic environment at the interface as compared to the bulk. First-principles electronic structure calculations show the signal is highly sensitive to H-bond interactions, such as water molecules accepting a single H-bond, which are surface abundant.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗