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

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At least 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Wetland Soil Characterization and Methane Production Impacted by Nickel Addition, Argonne and Tims Branch Wetlands, September and October 2020

Abstract:Freshwater wetland soils are foci of biogeochemical cycling as they serve as key sources of methane to the atmosphere. An array of metalloenzymes is essential to anaerobic microbial carbon transformations. Nickel is notably recognized as playing key roles in the enzymatic pathways of methanogenesis. Low availability of trace metals limits microbial element cycling in laboratory studies, but the occurrence of such limitations in natural subsurface aquatic systems is poorly understood. Microcosm incubation studies were carried out using two distinct wetland soils, one from a marsh wetland and the second from a riparian wetland, to explore the effect of dissolved Ni concentrations on methane production. Data are provided for wetland soil characterization and soil incubation experiments using materials from marsh wetlands at Argonne National Laboratory and riparian wetlands in the Tims Branch watershed at Savannah River National Laboratory. The characterization data consists soil carbon, nitrogen, sulfur, and iron contents plus as well as the solid-phase concentrations of copper, nickel, cobalt, and zinc, bioessential trace metals that may limits microbial metabolic process if they have low availability. The data for the soil incubation experiments include fluid pH, fluid dissolved trace metal concentrations, and cumulative methane production. Three soil incubations are reported: marsh wetland soil with increasing nickel addition, marsh wetland soil in sulfate-free water with increasing nickel addition, and riparian wetland soil with increasing nickel addition. All data are provided in text-based CSV format with header sections indicating the data contained in each file and the corresponding units. Note that "u" is used in place of Greek lower case mu to indicate the micro prefix on units. A Table of Contents file (Yan_Soil_Incubations_2020_TOC.txt) provides an index for the data contained in the individual files.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Ecosystems and Networks Integrated with Genes and Molecular Assemblies (ENIGMA). Final report

The goal of the Stahl lab is to use a combination of isotopic, genomic, and activity-based analyses in the field, of selected field isolates, and defined synthetic communities to identify sources and sinks of different nitrogen species in the field, focusing on the FRC at the ORNL. The most general research objective is to characterize variants in the pathway for denitrification among field isolates and synthetic microbial assemblies as a foundation for predicting the biotic and abiotic controls of nitrogen and carbon transformations in the field. Specifically, we have focused on characterizing environmental controls of nitrous oxide emissions, an important greenhouse gas and ozone depleting molecule. Studies have mapped the flux of nitrous oxide and controlling genetic elements within the FRC subsurface, indicating the importance of different enzyme variants in nitrous oxide production and consumption in controlling surface emissions. We have developed methods to quantify and catalog the isotopic signatures imparted on nitrous oxide by different nitrous oxide reductase variants in isolated organisms and model synthetic communities. We have developed methods to quantify and catalog the nitrous oxide affinity of field relevant isolates and their biomass yield when respiring nitrous oxide on different carbon substrates. We continue to expand the collection of field-relevant microbial isolates within ENIGMA by focused enrichment and isolation from field material. These objectives have been facilitated by the development of new technologies, including: 1) the development of a multiplexed automated optical density measurement system for quantifying growth kinetics of microorganisms dependent on gaseous substrates in monoculture or gas exchange in synthetic communities and 2) the development of a microcalorimetric analysis format to quantify the impact of environmental stress on microbial maintenance energy. Since field relevant processes are mediated by assemblies of organisms interacting with each other and their local environment, we have also collaborated with other ENIGMA investigators on the assembly and characterization of synthetic communities. These studies have evaluated the role of organisms lacking a complete pathway for denitrification in the control of field processes, measuring process rates of assemblies of organisms that individually lack the full denitrification pathway but mediate the complete denitrification when growing together. These efforts have so far resulted in the publication of 18 peer reviewed papers ranging from ecological and physiological drivers of pathway optimization to field-scale process characterization.

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

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

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

Contaminant transport↗
DOE OSTI2011

Scanning capacitance microscopy of ErAs nanoparticles embedded in GaAs pn junctions

Scanning capacitance microscopy is used to characterize the electronic properties of ErAs nanoparticles embedded in GaAs pn junctions grown by molecular beam epitaxy. Voltage-dependent capacitance images reveal localized variations in subsurface electronic structure near buried ErAs nanoparticles at lateral length scales of 20-30 nm. Numerical modeling indicates that these variations arise from inhomogeneities in charge modulation due to Fermi level pinning behavior associated with the embedded ErAs nanoparticles. Statistical analysis of image data yields an average particle radius of 6-8 nm--well below the direct resolution limit in scanning capacitance microscopy but discernible via analysis of patterns in nanoscale capacitance images.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Dominant heterocyclic composition of dissolved organic nitrogen in the ocean: A new paradigm for cycling and persistence

Marine dissolved organic nitrogen (DON) is one of the planet’s largest reservoirs of fixed N, which persists even in the N-limited oligotrophic surface ocean. The vast majority of the ocean’s total DON reservoir is refractory (RDON), primarily composed of low molecular weight (LMW) compounds in the subsurface and deep sea. However, the composition of this major N pool, as well as the reasons for its accumulation and persistence, are not understood. Past characterization of the analytically more tractable, but quantitatively minor, high molecular weight (HMW) DON fraction revealed a functionally simple amide-dominated composition. While extensive work in the past two decades has revealed enormous complexity and structural diversity in LMW dissolved organic carbon, no efforts have specifically targeted LMW nitrogenous molecules. Here, we report the first coupled isotopic and solid-state NMR structural analysis of LMW DON isolated throughout the water column in two ocean basins. Together these results provide a first view into the composition, potential sources, and cycling of this dominant portion of marine DON. Our data indicate that RDON is dominated by 15N-depleted heterocyclic-N structures, entirely distinct from previously characterized HMW material. This fundamentally new view of marine DON composition suggests an important structural control for RDON accumulation and persistence in the ocean. The mechanisms of production, cycling, and removal of these heterocyclic-N-containing compounds now represents a central challenge in our understanding of the ocean’s DON reservoir.

58 GEOSCIENCES↗
DOE OSTI2013

Recovery Act: Understanding the Impact of CO 2 Injection on the Subsurface Microbial Community in an Illinois Basin CCS Reservoir: Integrated Student Training in Geoscience and Geomicrobiology

An integrated research and teaching program was developed to provide cross--disciplinary training opportunities in the emerging field of carbon capture and storage (CCS) for geobiology students attending the University of Illinois Urbana-­Champaign (UIUC). Students from across the UIUC campus participated, including those from the departments of Geology, Microbiology, Biochemistry, Civil and Environmental Engineering, Animal Sciences and the Institute for Genomic Biology. The project took advantage of the unique opportunity provided by the drilling and sampling of the large-­scale Phase III CCS demonstration Illinois Basin - Decatur Project (IBDP) in the central Illinois Basin at nearby Decatur, Illinois. The IBPD is under the direction of the Illinois State Geological Survey (ISGS, located on the UIUC campus) and the Midwest Geological Sequestration Consortium (MGSC). The research component of this project focused on the subsurface sampling and identification of microbes inhabiting the subsurface Cambrian-­age Mt. Simon Sandstone. In addition to formation water collected from the injection and monitoring wells, sidewall rock cores were collected and analyzed to characterize the cements and diagenetic features of the host Mt. Simon Sandstone. This established a dynamic geobiological framework, as well as a comparative baseline, for future studies of how CO 2 injection might affect the deep microbial biosphere at other CCS sites. Three manuscripts have been prepared as a result of these activities, which are now being finalized for submission to top-­tier international peer-­reviewed research journals. The training component of this project was structured to ensure that a broad group of UIUC students, faculty and staff gained insight into CCS issues. An essential part of this training was that the UIUC faculty mentored and involved undergraduate and graduate students, as well as postdocs and research scientists, at all stages of the project in order to develop CCS-­focused classroom and field courses, as well as seminars. This program provided an excellent opportunity for participants to develop the background necessary to establish longer-­term research in CCS-­related geology and microbial ecology. Further, the program provided an ongoing dynamic platform to foster long-term collaboration with the regional ISGS and MGSC sequestration partnership, while offering hands-­on, applied learning experiences.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Carbon Utilization and Storage Partnership of the Western United States

This technical report documents research conducted under DOE Award No. DE-FE0031837 focused on evaluating the feasibility of carbon capture, utilization, and storage (CCUS) systems in the central and western United States. The project integrated geologic characterization, reservoir simulation, infrastructure modeling, and economic analysis to assess CO₂ storage potential near industrial sources and develop strategies for transport and sequestration. The work included subsurface modeling, risk assessment, monitoring and verification (MRV) planning, and evaluation of regulatory pathways such as EPA Underground Injection Control (UIC) Class VI permitting and IRS 45Q tax credit eligibility. Results demonstrate the viability of multiple storage approaches, including saline formations, enhanced coalbed methane recovery, and basalt mineralization, supported by data-driven workflows and regional analyses. The project also produced permitting templates, technology transfer activities, and stakeholder engagement efforts to support deployment readiness. These findings contribute to the development of scalable, economically viable CCUS systems and provide a repeatable framework for future carbon management projects.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2024

Characterization of Pliocene and Miocene Formations in the Wilmington Graben, Offshore Los Angeles, for Large-Scale Geologic Storage of CO2

The project Characterization of Pliocene and Miocene Formations in the Wilmington Graben, Offshore Los Angeles, for Large-Scale Geologic Storage of CO2 is one of 9 site characterization projects that were implemented as part of ARRA (American Recovery and Reinvestment Act). Data from this project was used to improve resolution of data in NATCARB in the area of study. Data related to this study has already been incorporated in NATCARB Atlas. The Los Angeles Basin presents an opportunity for large-scale geologic CO2 storage. Due to its large population and historical and geologic setting as one of the most prolific oil and gas producing basins in the United States, the region is home to more than 12 major power plants and oil refineries that produce more than 5 million metric tons of fossil fuel-related CO2 emissions each year. GeoMechanics Technologies worked to characterize the Pliocene and Miocene sediments in the Wilmington Graben, offshore of Los Angeles, California, for high-volume CO2 storage. The Graben is located offshore of the Los Angeles and Long Beach Harbor area, making it accessible yet geologically isolated from the nearby Wilmington oilfield and onshore areas. These sediments span more than 5,000 feet of vertical interval with an estimated storage resource of more than 100 million metric tons of CO2. The project team analyzed and interpreted existing geologic data within the region, including detailed exploration well log data and 2-D and 3-D seismic data. New seismic lines were acquired to fill in current data gap areas and two new characterization wells were drilled and logged. This information was integrated with existing geologic interpretations for adjacent onshore areas to help characterize optimal areas for CO2 storage and seals to safely store CO2. Integrated 3-D geologic and geomechanical models for the Wilmington Graben were developed to simulate the fate and transport of injected CO2 in the subsurface and to assess risks. This project contributed to the understanding of injectivity, containment mechanisms, rate of dissolution and mineralization, and storage capacity of the Wilmington Graben and associated analogous basins. This effort also provided greater insight into the potential for offshore geologic formations to safely and permanently store CO2.

.las↗
DOE OSTI2020

Geochemistry, RNA radiocarbon signature, and metatranscriptome data from Rifle, Colorado groundwater well

Understanding the different sources of carbon subsurface microbes use is highly informative yet remains challenging. The goal of this work was to develop and test a cultivation-independent method that analyzes both the radiocarbon and ribosomal RNA (rRNA) signature of unamplified RNA from the same environmental sample, and that collectively characterizes community carbon utilization under in situ conditions. The method was applied to a filtered groundwater sample from a geochemically reduced zone of a shallow alluvial aquifer near Rife, Colorado (CO), where multiple potential carbon sources co-occur. The radiocarbon and RNA-Seq results, while addressing diverse sample properties, indicated a strikingly similar conclusion about the quantitative role of autotrophy in the subsurface microbial community.This data package provides (1) ribosomal RNA (rRNA) sequences for groundwater microbial populations, (2) the taxonomic identity and relative abundance of groundwater microbial populations based on these rRNA sequences, (3) radiocarbon signatures of the rRNA indicating the source of carbon used by the groundwater microbial populations (provided in both Word docx file and pdf file), (4) geochemical measurements for the monitoring well corresponding to these measurements.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Synthesis and Characterization of Tc(I) Carbonyl Nitrosyl Species Relevant to the Hanford Tank Waste: FY 2016 Status Report

Among long-lived radioactive constituents in the Hanford tank waste, Tc presents a unique challenge in that it exists predominantly in the liquid phase, generally in the anionic form of pertechnetate, TcO 4 - , which is highly volatile at low-activity waste (LAW) vitrification melter temperatures and mobile in the Hanford site’s subsurface environment. The complex behavior of Tc under storage, treatment, and immobilization conditions significantly affects its management options, which to-date remain uncertain. In strongly alkaline environments, Tc exists as pertechnetate, TcO 4 - (oxidation state +7), and in the reduced forms (oxidation state < +7) collectively known as non-pertechnetate species. Pertechnetate is a well-characterized, anionic Tc species that can be removed from LAW by anion exchange or solvent extraction methods. There is no definitive information on the origin of the non-pertechnetate Tc species, nor is there a comprehensive description of their composition and behavior. It has been recently proposed that the non-pertechnetate species can comprise Tc(I) metal center and carbonyl or mixed carbonyl nitrosyl ligands stabilizing low-valent Tc. Recent work by our group has significantly expanded this previous work, generating a series of Tc(I) carbonyl compounds and demonstrating that they can be generated from reduction of TcO 4 - in the simulated Hanford tank waste in presence of CO at elevated temperature (Levitskaia et al. 2014). These results are consistent with the previous proposal that [Tc(CO) 3 ] + species can be present in the Hanford tank waste and suggest that the low Tc(I) oxidation state is stabilized by the π-accepting ability of the CO ligands. The continuation work has been initiated to develop model Tc carbonyl nitrosyl compounds and investigate their potential presence in the Hanford tank wastes. This report summarizes our to-date results.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2014

Report on the Characterization and Capacity of Saline Formations of Florida-Georgia & Further Refinement of Very Large Volumes of Capacity in the Gulf Coast Territory

We have nearly completed a comprehensive analysis of potential CO 2 sequestration strata in the subsurface of Georgia. The greatest potential CO 2 sequestration lies southeast of the Fall Line, which is the northwest-trending erosional boundary separating tight Blue Ridge and Piedmont crystalline rocks that generally lack porosity with younger Coastal Plain sandstones, limestones and shales that contain porous units. The coastal plain sedimentary strata of Cretaceous and Tertiary age extend and thicken seaward to the present-day shelf edge, approximately 80 miles offshore.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Quantifying dry supercritical CO 2 -induced changes of the Utica Shale

Traditionally, shale formations have been studied as sealing layers that prevent vertical migration of hydrocarbons and CO2 due to their low permeability and fracture porosity. Recent research has focused on storing CO2 in hydrocarbon-bearing shale formations that have already undergone depletion through primary production and using CO2 as a potential fracturing agent for unconventional reservoirs. The injected CO2 will interact with shale components (i.e. clays, organic matter) and affect rock properties through chemical alteration, matrix swelling/shrinkage, and related geomechanical effects. As changes in rock properties will impact both anthropogenic CO2 storage and hydraulic fracturing, it is imperative to increase our understanding of the CO2-shale interactions. In-situ Fourier Transform infrared (FT-IR) spectroscopy coupled with high temperature and pressure capability was used to examine the interaction of dry CO2 on Utica Shale, clay, and kerogen samples at the molecular scale and characterize vibrational changes of sorption bands sensitive to the gas-solid environment. The Utica Shale was also analyzed for micro and macro-scale chemical and physical changes before and after exposure to dry CO2 at subsurface storage conditions using surface relocation techniques via high-resolution field-emission scanning electron microscopy (FE-SEM). Brunauer-Emmett-Teller (BET) surface area/pore size analysis and quantitative adsorption isotherms were applied to understand changes in surface area, pore volumes, and understand the storage potential of CO2 in the Utica Shale sample. FT-IR and feature relocation via FE-SEM indicate carbonate formation and dissolution occurs in shale exposed to dry CO2. Results indicate that etching and pitting occur, with minor calcite precipitation along the surface of the shale sample. Quantitative isotherm results indicate that shales with a higher content of kerogen and illite-smectite clays would be expected to have the highest CO2 storage capacity provided these constituents were accessible for interaction.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2025

Transportability of exogenous microbial community correlates with interwell connectivity in deep aquifers

Subsurface resource engineering operations often utilize continuous injection of externally-sourced water into geological reservoirs for formation pressure maintenance, resource recovery or energy/waste storage. Such injected water generally contains naturally occurring microbes. Little is known, however, about how the injectate microbes transport through geological media as a community, how such transportability is affected by injector-producer connectivity, and whether such knowledge can be utilized for flowpath characterization. In this study, we analyzed daily-to-weekly timeseries microbial community data from the injected- and produced-fluids of a ten-month flow test at a deep, well-characterized engineered aquifer. We found that the injectate microbial community was distinct from the indigenous community at the amplicon sequence variant (ASV) level, and that the transportability of injectate community towards a given producer, quantified by an “nASV-Overlap” metric we propose, had strong and significant positive correlation with known injector-producer connectivities at our site. This suggests that the better the connectivity, the higher the probability for more injectate species to flow through the interwell region and arrive at a producer. Because interwell connectivity is an important yet usually unknown parameter in subsurface resource engineering, such correlation in turn points to nASV-Overlap as a useful indicator of interwell connectivity for aquifer characterization and long-term monitoring. Based on our findings, an nASV-Overlap-based microbial tracing approach was developed for characterizing and monitoring the relative connectivities across multiple producers with a given injector. A side-by-side comparison between the new nASV-Overlap approach and traditional artificial tracer methods is presented, and their respective strengths and limitations are discussed.

Deep biosphere↗
DOE OSTI2015

Evaluation of the impact of lime softening waste disposal in natural environments

Highlights: • Leaching tests conducted on WTR to assess potential for trace element release. • Aluminum leaching found to be elevated with respect to risk threshold. • Release in anaerobic conditions evaluated with column test run in nitrogen chamber. • Increased release of certain elements seen from residues under anaerobic conditions. • Different leaching tests produced results on two sides of regulatory threshold. - Abstract: Drinking water treatment residues (WTR), generated from the lime softening processes, are commonly reused or disposed of in a number of applications; these include use as a soil amendment or a subsurface fill. Recently questions were posed by the Florida regulatory community on whether lime WTR that contained a small percentage of other treatment additives could appropriately be characterized as lime WTR, in terms of total element content and leachability. A study was done using a broad range of leaching tests, including a framework of tests recently adopted by the United States-Environmental Protection Agency (EPA) and tests that were modified to account for scenario specific conditions, such as the presence of natural organic matter (NOM). The results of these additional leaching tests demonstrated that certain applications, including disposal in a water body with NOM or in placement anaerobic environment, did result in increased leaching of elements such as Fe, and that a site specific assessment should be conducted prior to using WTR in these types of applications. This study illustrates the importance of leaching test selection when attempting to provide an estimation of release in practice. Although leaching tests are just one component in a beneficial use assessment and other factors including aquifer and soil properties play a significant role in the outcome, leaching tests should be tailored to most appropriately represent the scenario or reuse application being evaluated.

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

Discovery and construction of surface kagome electronic states induced by p-d electronic hybridization in Co3Sn2S2

Abstract Kagome-lattice materials possess attractive properties for quantum computing applications, but their synthesis remains challenging. Herein, based on the compelling identification of the two cleavable surfaces of Co 3 Sn 2 S 2 , we show surface kagome electronic states (SKESs) on a Sn-terminated triangular Co 3 Sn 2 S 2 surface. Such SKESs are imprinted by vertical p-d electronic hybridization between the surface Sn (subsurface S) atoms and the buried Co kagome-lattice network in the Co 3 Sn layer under the surface. Owing to the subsequent lateral hybridization of the Sn and S atoms in a corner-sharing manner, the kagome symmetry and topological electronic properties of the Co 3 Sn layer is proximate to the Sn surface. The SKESs and both hybridizations were verified via qPlus non-contact atomic force microscopy (nc-AFM) and density functional theory calculations. The construction of SKESs with tunable properties can be achieved by the atomic substitution of surface Sn (subsurface S) with other group III-V elements (Se or Te), which was demonstrated theoretically. This work exhibits the powerful capacity of nc-AFM in characterizing localized topological states and reveals the strategy for synthesis of large-area transition-metal-based kagome-lattice materials using conventional surface deposition techniques.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Long distance seawater intrusion through a karst conduit network in the Woodville Karst Plain, Florida

Five periods of increased electrical conductivity have been found in the karst conduits supplying one of the largest first magnitude springs in Florida with water. Numerous well-developed conduit networks are distributed in the Woodville Karst Plain (WKP), Florida and connected to the Gulf of Mexico. A composite analysis of precipitation and electrical conductivity data provides strong evidence that the increases in conductivity are directly tied to seawater intrusion moving inland and traveling 11 miles against the prevailing regional hydraulic gradient from Spring Creek Spring Complex (SCSC), a group of submarine springs at the Gulf Coast. A geochemical analysis of samples from the spring vent rules out anthropogenic contamination and upwelling regional recharge from the deep aquifer as sources of the rising conductivity. The interpretation is supported by the conceptual model established by prior researchers working to characterize the study area. This paper documents the first and longest case of seawater intrusion in the WKP, and also indicates significant possibility of seawater contamination through subsurface conduit networks in a coastal karst aquifer.

58 GEOSCIENCES↗
DOE OSTI2018

Interparameter trade-off quantification and reduction in isotropic-elastic full-waveform inversion: synthetic experiments and Hussar land data set application

The problem of inverting for multiple physical parameters in the subsurface using seismic full-waveform inversion (FWI) is complicated by interparameter trade-off arising from inherent ambiguities between different physical parameters. Parameter resolution is often characterized using scattering radiation patterns, but these neglect some important aspects of interparameter trade-off. More general analysis and mitigation of interparameter trade-off in isotropic-elastic FWI is possible through judiciously chosen multiparameter Hessian matrix-vector products. We show that products of multiparameter Hessian off-diagonal blocks with model perturbation vectors, referred to as interparameter contamination kernels , are central to the approach. We then apply the multiparameter Hessian to various vectors designed to provide information regarding the strengths and characteristics of interparameter contamination, both locally and within the whole volume. With numerical experiments, we observe that S-wave velocity perturbations introduce strong contaminations into density and phase-reversed contaminations into P-wave velocity, but themselves experience only limited contaminations from other parameters. Based on these findings, we introduce a novel strategy to mitigate the influence of interparameter trade-off with approximate contamination kernels. Furthermore, we recommend that the local spatial and interparameter trade-off of the inverted models be quantified using extended multiparameter point spread functions (EMPSFs) obtained with pre-conditioned conjugate-gradient algorithm. Compared to traditional point spread functions, the EMPSFs appear to provide more accurate measurements for resolution analysis, by de-blurring the estimations, scaling magnitudes and mitigating interparameter contamination. Approximate eigenvalue volumes constructed with stochastic probing approach are proposed to evaluate the resolution of the inverted models within the whole model. With a synthetic Marmousi model example and a land seismic field data set from Hussar, Alberta, Canada, we confirm that the new inversion strategy suppresses the interparameter contamination effectively and provides more reliable density estimations in isotropic-elastic FWI as compared to standard simultaneous inversion approach.

58 GEOSCIENCES↗
DOE OSTI2024

Approaches for the Simulation of Coupled Processes in Evolving Fractured Porous Media Enabled by Exascale Computing

Models have historically represented fractured porous media with continuum descriptions that characterize the media using bulk parameters. The impact of small-scale features is not captured in these models, although they may be controlling the performance of subsurface applications. Pore-scale models can simulate processes in small-scale features by representing the pore space geometry explicitly but are computationally expensive for large domains. The alternative multiscale approach entails the combination of pore-scale and continuum-scale descriptions in a single framework. We use Chombo-Crunch, a computational capability that discretizes complex geometries with an adaptive, embedded boundary method to contrast these two approaches. Chombo-Crunch takes advantage of recent computational performance and memory bandwidth improvements resulting from the emergence of exascale computing resources. These combined improvements enable the efficient simulation of reactive transport in fractured media with a high degree of fidelity and the ability to capture the control small-scale processes exert on the overall medium evolution.

42 ENGINEERING↗