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At least 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Prediction of Distributed River Sediment Respiration Rates Using Community-Generated Data and Machine Learning

River sediment microbial respiration is a key indicator of ecosystem functioning and the biogeochemical fluxes across this critical zone link surface and subsurface waters. As such, there is tremendous interest in measuring and mapping these respiration rates. Respiration observations are expensive and labor intensive; there is limited data available to the community. An open science, collaborative initiative is collecting samples for respiration rate analysis and multi-scale metadata; this evolving data set is being used for making machine learning (ML) predictions at unsampled sites to help inform continued community engagement. However, it is a challenge to find an optimum configuration for ML models to work with this feature-rich (i.e., 100+ possible input variables) data set. Here, we present results from a two-tiered approach to managing the analysis of this complex data set: (a) a stacked ensemble of models that automatically optimizes hyperparameters and manages the training of many models and (b) feature permutation importance to detect the most important features in the models. The major elements of this workflow are modular, portable, open, and cloud-based thus making this implementation a potential template for other applications. The models developed here predict that sediment organic matter chemistry is one of the most important features for predicting sediment respiration rate. Other larger-scale, important features fall into the categories of climatic, ecological, geological, and fluvial settings. Leveraging these larger-scale features to generate data-driven estimates of river sediment respiration rates reveals spatially consistent but heterogeneous patterns across the river network of the Columbia River Basin.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Geophysical Impacts and Spectroscopic Identification of a Hydrous Iron Sulfate on Icy Worlds

Over geologic time-scales, large volumes of exogenic sulfur ions from Io's plasma torus have been supplied to the surface of Europa and Ganymede, which, combined with recent interpretations of orbiter images, dynamical modeling, and surface-subsurface exchange, suggests further sulfur transport into the interior of the icy worlds. These observations motivate mixed-phase spectral modeling for interpreting orbiter spectroscopy data and determination of hydration states of candidate surface materials including hydrous sulfates. In this work, we present a combined experimental and theoretical study of the low temperature and high pressure vibrational spectral signature of the iron-sulfate monohydrate endmember, szomolnokite (FeSO 4 ·H 2 O). By employing synchrotron Fourier-transform infrared spectroscopy (FTIR) in the diamond anvil cell up to 23 GPa and down to 20 K, we explore the extreme range of pressure-temperature domains relevant to icy environments throughout our solar system and beyond. Combined with our density-functional theory quantum-mechanics molecular dynamics results, we demonstrate that experimentally observed infrared features in the O-H stretching region commonly associated with nH 2 O (n > 1) hydration states can be attributed to a pure monohydrate without the need for pressure-induced exsolved ice, other coexisting hydrous iron sulfates, or strong overtone and combination modes. We further discuss the possibility of lateral variations in density and shear properties on icy worlds associated with temperature variations and the high-pressure phases of kieserite group monohydrated sulfates.

Geosciences↗
DOE OSTI2021

Multiphase phase-field approach for solid–solid phase transformations via propagating interfacial phase in HMX

In this study, a thermodynamically consistent multiphase phase-field theory has been formulated to describe temperature-induced solid–solid phase transformations via an interfacial phase. This theory satisfies all thermodynamic equilibrium and stability conditions. It allows us to formulate the analytical solutions of the interface profile, energy, width, and velocity for each of the propagating solid–melt and solid–solid interfaces. The formation of the intermediate melt during solid–solid phase transformation has been studied hundreds of degrees below melting temperature in the HMX energetic crystal. The effect of the penalizing term in the phase-field model and two nanoscale material parameters on the appearance and degree of disordering of intermediate melt has been analyzed for the non-equilibrium interface. The developed approach is applicable to phase transitions in geological, pharmaceutical, ferroelectric, colloidal, and superhard materials where phase transformations occur via the intermediate phase.

Roy, Arunabha M. (ORCID:000000034790726X)↗
DOE OSTI2024

Modeling the Cost of CO2 Saline Storage on a Regional and National Level

This poster presents the results of using the FECM/NETL CO2 Saline Storage Cost Model (CO2_S_COM) to evaluate the cost of saline storage in potential storage formations in the lower 48 U.S. states. Costs were calculated for 314 saline storage formations in the CO2_S_COM geologic property database. These results were used to generate national and regional cost-supply curves. In addition, a sensitivity analysis was performed that quantified how modifying several input variables in CO2_S_COM affected the costs. Poster presented (virtual) at the 2024 AGU Conference, December 9-13, 2024, Washington, D.C.

Morgan, David [NETL]↗
DOE OSTI2021

Energy Arbitrage: Comparison of Options for use with LWR Nuclear Power Plants

Arbitrage is the opportunistic buying and selling of a commodity during local pricing valleys and peaks respectively to maximize economic value. This report evaluates options for energy arbitrage integrated with existing light water reactor (LWR) nuclear power plants (NPPs) where nuclear energy could be stored in a variety of forms and later recovered to generate electrical power during periods when grid electricity demand and pricing are high. The forms of energy storage examined in this report include the potential value of batteries, hydrogen, and thermal energy storage for coupling with nuclear power. Various large demand response options are also analyzed, including the production of liquid nitrogen via air separation and liquefaction, liquefaction of hydrogen, compressed hydrogen, and the cryogenic capture of CO2. Demand response refers to dispatchable loads that can cycle up or down depending on-grid electricity demand to aid in balancing the grid. Large demand response options could dispatch to aid nuclear power stations in avoiding power turndowns by providing an alternate disposition for electrical energy by producing marketable products (e.g., liquid nitrogen, hydrogen, or captured CO2). Static conditions were chosen and analyzed in this report for each option. Dynamic operation or optimization of energy arbitrage or demand response are out of scope for this report. The analysis is based on storage systems with discharge capacities of 500 MW for which various durations of storage and costs of charging (electricity cost) are examined. While the value of thermal energy to an industrial user for flexible plant operations has been previously proven as a business case, this report evaluates costs of hydrogen energy storage and leading thermal energy storage options, and large demand response loads that could be integrated with LWRs in comparison to utility-scale battery storage for use of off-peak nuclear energy. Compilation of this information will be used by the Idaho National Laboratory (INL) RAVEN/HERON systems integration and economics tool to evaluate thermal energy dispatch to industrial users. Relative ranking of energy storage options was done using a levelized cost of storage (LCOS) metric which calculates a rough breakeven cost for the system, taking into account the capital and operating costs as well as the revenue from arbitrage. Table ES1 below shows the LCOS for each of the energy storage options considered. First, in the table, lithium iron (Fe) phosphate batteries are listed as the base case for comparison against the other options. Next is hydrogen storage where most of the hydrogen analyses assumed the hydrogen to be produced using solid oxide electrolytic cell (SOEC) high temperature steam electrolysis (HTSE). The others used existing models of polymer electrolyte membrane (PEM) low temperature electrolysis to produce hydrogen. HTSE performance parameters and costs were taken from existing INL models. Various means were assumed to convert the hydrogen to electricity, including PEM fuel cells (FCs) and a gas turbine mixed in a 30 vol% mixture with natural gas. Physical storage (pressure vessels) and geological storage (natural underground features) were used to store the hydrogen as noted. Geological storage is more economical, but the locations are limited because of the requirement for pre-existing geological formations that will support storage. Thermal energy storage (TES) options were also analyzed including electro-thermal energy storage (ETES) and four different liquid sensible heat TES storage media as noted (Hitec, Hitec XL, Therminol-66, and Dowtherm A). The ETES process considered was modified using existing public documentation on an Echogen process and uses a separate supercritical CO2 charge and discharge cycle with sand as the heat storage media.

25 ENERGY STORAGE↗
DOE OSTI2020

The role of the spatial heterogeneity and correlation length of surface wettability on two-phase flow in a CO 2 -water-rock system

This study characterized and modeled heterogeneous surface wettability in sandstone and investigated the role of spatial heterogeneity and correlation length of surface wettability on relative permeability in a supercritical CO 2 (scCO 2 )-brine-rock system. Understanding the role of wettability heterogeneity on relative permeability is essential to geological CO 2 sequestration, oil and gas recovery, and contaminated groundwater remediation. Although numerous studies have attempted to understand the influences of surface wettability, capillary number (Ca), and viscosity ratio, the role of the spatial variation and correlation length of surface wettability on two-phase flow in three-dimensional (3D) porous media has not been unraveled due to the challenges in the measurement and representation of realistic rock surface wettability. In this work, we conducted in-situ measurements of surface contact angle (CA) in a Bentheimer sandstone after CO 2 flooding using micro-computed tomography (micro-CT), and found that the pore-scale CA distribution on rock surfaces followed a log-normal distribution associated with a spatial correlation length. Based on the statistical information from CT scanning, a Gaussian random field was used to model CA distributions that had desired standard deviations and spatial correlation lengths, which were then adjusted within a certain range of values for sensitivity analyses to study their combined effects on the two-phase flow in the porous medium using the lattice Boltzmann (LB) method. The LB two-phase flow simulation was accelerated using hybrid, multicore parallel computing to overcome the challenges in simulating multiphase flow in a large 3D domain having 800 × 800 × 600 nodes. The simulation results showed that the surface wettability heterogeneity (i.e., standard deviation of CA) had a lesser effect on the relative permeability of the wetting fluid (water) but a more significant impact on the relative permeability of the non-wetting fluid (scCO 2 ). The Corey model was used to fit the LB-simulated relative permeability curves of water and scCO 2 and showed that the variations in the relative permeability curves for both water and scCO 2 increased as the standard deviation and spatial correlation length of CA increased. This study illustrated that the assumption of homogeneous surface wettability may cause errors in multiphase flow simulations. Furthermore, the impacts of both the standard deviation and spatial correlation length of CAs should be accounted for. This is the first study that explored the spatial correlation lengths associated with CA distributions on sandstone surfaces and comprehensively investigated the roles of both spatial variation and correlation length of CA on two-phase flow properties in 3D porous media. The optimized LB multiphase flow model was proved a powerful tool to study the interplays and combined effects of these statistical parameters, which had critical applications in numerous natural and engineering processes that involved multiphase flow in porous media.

58 GEOSCIENCES↗
DOE OSTI2025

The potential for New Mexico basalts to sequester CO2 with a focus on critical element mobility

This study investigates the potential for New Mexico basalts to serve as geologic CO₂ sequestration media through mineral carbonation. Batch-type experiments were conducted using crushed basalts from the Carrizozo and Taos regions at low PCO₂ (0.7–2 bar) and temperatures up to 40°C over 180 days. The experiments evaluated the kinetics of CO₂-water-rock interaction, cation release, and critical element mobility (Cu, Ni, Co, Zn). Solid and fluid samples were analyzed using SEM, EMPA, ICP-OES, and ICP-MS, and geochemical modeling was performed with GEM-Selektor and PHREEQC. Results indicated that up to 80% of the injected CO₂ was mineralized within 100 days, forming secondary carbonates such as siderite and ankerite. Additionally, significant mobilization of critical metals was observed, which has implications for resource recovery and mine-waste valorization in future CO₂ sequestration projects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Assessing the potential of composite confining systems for secure and long-term CO 2 retention in geosequestration

A potential geologic target for CO 2 storage should ensure secure containment of injected CO 2 . Traditionally, this objective has been achieved by targeting reservoirs with overlying seals-regionally extensive, low permeability units that have been proven capable of retaining buoyant fluid accumulations over geologic time. However, considering that the amount of CO 2 is limited by a decadal injection period, vertical migration of CO 2 can be effectively halted by a composite system of discontinuous shale/silt/mudstone barriers in bedded sedimentary rocks. Here, we studied the impact of depositional architectures in a composite confining system on CO 2 migration and confinement at reservoir scale. We stochastically generated lithologically heterogeneous reservoir models containing discontinuous barriers consistent with statistical distributions of net-sand-to-gross-shale ratio (NTG) and horizontal correlation lengths derived from well log data and observations of producing hydrocarbon fields in Southern Louisiana. We then performed an extensive suite of reservoir simulations of CO 2 injection and post-injection to evaluate the sensitivity of CO 2 plume migration and pressure response of the composite system to a series of geologic and fluid parameters including the lateral continuity of barriers, NTG, permeability anisotropy within the sand body, and capillary pressure contrast between the sand and shale facies. The results indicate that lateral continuity of barriers and NTG are the dominant controls on CO 2 plume geometry and pressure build-up in the reservoir, while the impact of NTG is particularly pronounced. The significance of intraformational barriers becomes apparent as they facilitate the local capillary trapping of CO 2 . Those barriers improve the pore space occupancy by promoting a more dispersed shape of the plume and ultimately retard the buoyancy-driven upward migration of the plume post injection.

58 GEOSCIENCES↗
DOE OSTI2020

Carbon Dioxide Production in Bedrock Beneath Soils Substantially Contributes to Forest Carbon Cycling

Abstract Soils are widely considered the primary terrestrial organic matter pool mediating carbon transactions with the atmosphere and groundwater. Because soils are both a host and a product of rhizosphere activity, they are thought to mark the location where photosynthetic fixation of carbon dioxide (CO 2 ) is balanced by the oxidation of organic matter. However, in many terrestrial environments, the rhizosphere extends below soils and into fractured bedrock, and it is unknown if the resulting biological and hydrologic dynamics in bedrock have a significant impact on carbon cycling. Here we show substantial production of CO 2 in weathered bedrock at 4–8 m below the thin soils (<0.5 m thick) of a Northern California forest using innovative monitoring technology for sampling gases and water in fractured rock. The deep CO 2 production supports a persistent upward flux of CO 2(g) year‐round from bedrock to soil, constituting between 2% and 29% of the average daily CO 2 efflux from the land surface. When water is rapidly transported across the fractured bedrock vadose zone, nearly 50% of the CO 2 produced in the bedrock dissolves into water, promoting water‐rock interaction and export of dissolved inorganic carbon (DIC) from the unsaturated zone to groundwater, constituting as much as 80% of the DIC exiting the hillslope. Such CO 2 production in weathered bedrock is subject to unique moisture, temperature, biological, and mineralogical conditions which are currently missing from terrestrial carbon models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Geostatistical Mapping of Salinity Conditioned on Borehole Logs, Montebello Oil Field, California

We present a geostatistics-based stochastic salinity estimation framework for the Montebello Oil Field that capitalizes on available total dissolved solids (TDS) data from groundwater samples as well as electrical resistivity (ER) data from borehole logging. Data from TDS samples (n = 4924) was coded into an indicator framework based on falling below four selected thresholds (500, 1000, 3000, and 10,000 mg/L). Collocated TDS-ER data from the surrounding groundwater basin were then employed to produce a kernel density estimator to establish conditional probabilities for ER data (n = 8 boreholes) falling below the selected TDS thresholds within the Montebello Oil Field area. Directional variograms were estimated from these indicator coded data, and 500 TDS realizations from conditional indicator simulation were generated for the subsurface region above the Montebello Oil Field reservoir. Simulations were summarized as 3D maps of median TDS, most likely salinity class, and probability for exceeding each of the specified TDS thresholds. Results suggested TDS was below 500 mg/L in most of the study area, with a trend toward higher values (500 to 1000 mg/L) to the southwest; consistent with the average regional groundwater flow direction. Discrete localized zones of TDS greater than 1000 mg/L were observed, with one of these zones in the greater than 10,000 mg/L range; however, these areas were not prevalent. The probabilistic approach used here is adaptable and is readily modified to include additional data and types and can be employed in time-lapse salinity modeling through Bayesian updating.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Modeling land surface processes over a mountainous rainforest in Costa Rica using CLM4.5 and CLM5

This study compares the performance of the Community Land Models (CLM4.5 and CLM5) against tower and ground measurements from a tropical montane rainforest in Costa Rica. The study site receives over 4000 mm of mean annual precipitation and has high daily levels of relative humidity. The measurement tower is equipped with eddy-covariance and vertical profile systems able to measure various micrometeorological variables, particularly in wet and complex terrain. In this work, results from point-scale simulations for both CLM4.5 and its updated version (CLM5) are compared to observed canopy flux and micrometeorological data. Both models failed to capture the effects of frequent rainfall events and mountainous topography on the variables of interest (temperatures, leaf wetness, and fluxes). Overall, CLM5 alleviates some errors in CLM4.5, but CLM5 still cannot precisely simulate a number of canopy processes for this forest. Soil, air, and canopy temperatures, as well as leaf wetness, remain too sensitive to incoming solar radiation rates despite updates to the model. As a result, daytime vapor flux and carbon flux are overestimated, and modeled temperature differences between day and night are higher than those observed. Slope effects appear in the measured average diurnal variations of surface albedo and carbon flux, but CLM5 cannot simulate these features. This study suggests that both CLMs still require further improvements concerning energy partitioning processes, such as leaf wetness process, photosynthesis model, and aerodynamic resistance model for wet and mountainous regions.

58 GEOSCIENCES↗
DOE OSTI2019

Deep Direct-Use Feasibility Study Temperature-Depth Estimates for West Virginia University, Morgantown, WV

This dataset contains data spreadsheets and figures that summarize the results of a stochastic analysis of temperatures at depth below the West Virginia University campus in Morgantown, WV. These results are extracted from a study by Smith (2019), whose results are included in a GDR submission that provides rasters and shapefiles for the Appalachian Basin states of New York, Pennsylvania, and West Virginia (GDR submission #1182). Uncertainties considered included geologic properties, thermal properties, and uncertainty from geostatistical interpolation of the surface heat flow. A Monte Carlo analysis of these uncertain properties was used to predict temperatures at depth using a 1-D heat conduction model. For the pixel corresponding to West Virginia University, a .csv file containing the 10,000 temperature-depth profiles estimated from a Monte Carlo analysis is provided. Temperatures are provided for depths from 1-5 km in 0.5 km increments. These data are summarized in a figure containing violin plots that illustrates the probability of obtaining certain temperatures at depth for Morgantown.

15 GEOTHERMAL ENERGY↗
DOE OSTI2025

NE-COST plug-in: Expanding ACCERT's Capabilities for Life-Cycle Cost Modeling

The Algorithm for the Capital Cost Estimation of Reactor Technologies (ACCERT) is a structured methodology and software tool designed to simplify and standardize cost estimation for nuclear reactor technologies [1]. By utilizing a relational database structure and modular cost estimation algorithms, ACCERT delivers a robust, flexible, and scalable framework for evaluating costs across various reactor types and configurations [2]. The recent integration of the NE-COST plugin further expands ACCERT’s scope by introducing detailed life-cycle cost modeling and probabilistic analysis of uncertainties. This addition enables users to evaluate costs across front-end processes such as uranium enrichment and fabrication, as well as back-end activities including waste disposal and geologic storage. Through Monte Carlo statistical cost simulations, the plugin provides probabilistic insights into cost ranges, offering critical decision-making support for stakeholders including reactor developers, policymakers, and researchers.

Zhou, Jia↗
DOE OSTI2022

Geological activity shapes the microbiome in deep-subsurface aquifers by advection

Subsurface environments host diverse microorganisms in fluid-filled fractures; however, little is known about how geological and hydrological processes shape the subterranean biosphere. Here, we sampled three flowing boreholes weekly for 10 mo in a 1478-m-deep fractured rock aquifer to study the role of fracture activity (defined as seismically or aseismically induced fracture aperture change) and advection on fluid-associated microbial community composition. We found that despite a largely stable deep-subsurface fluid microbiome, drastic community-level shifts occurred after events signifying physical changes in the permeable fracture network. The community-level shifts include the emergence of microbial families from undetected to over 50% relative abundance, as well as the replacement of the community in one borehole by the earlier community from a different borehole. Null-model analysis indicates that the observed spatial and temporal community turnover was primarily driven by stochastic processes (as opposed to deterministic processes). We, therefore, conclude that the observed community-level shifts resulted from the physical transport of distinct microbial communities from other fracture(s) that outpaced environmental selection. Given that geological activity is a major cause of fracture activity and that geological activity is ubiquitous across space and time on Earth, our findings suggest that advection induced by geological activity is a general mechanism shaping the microbial biogeography and diversity in deep-subsurface habitats across the globe.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Hydrate is a Nonwetting Phase in Porous Media

In porous media containing gas hydrate, the hydrate morphology impacts the flow behavior of the fluid phases. We hypothesize that hydrate emplaces itself as a nonwetting phase and use this idea to describe relative permeability of water in a hydrate/water system. We perform steady-state relative permeability measurements in hydrate-bearing samples with a range of hydrate saturation. We measure and compare water relative permeability in the presence of gas and in the presence of hydrate and find that the water relative permeability is the same in both cases. This suggests that (1) relative permeability for hydrate systems can be obtained without performing difficult experiments on hydrate bearing sediments, (2) flow properties are porous-media dependent, and (3) models that assume a fixed pore or tube geometry are inadequate.

58 GEOSCIENCES↗
DOE OSTI2022

Dissolving salt is not equivalent to applying a pressure on water

Abstract Salt water is ubiquitous, playing crucial roles in geological and physiological processes. Despite centuries of investigations, whether or not water’s structure is drastically changed by dissolved ions is still debated. Based on density functional theory, we employ machine learning based molecular dynamics to model sodium chloride, potassium chloride, and sodium bromide solutions at different concentrations. The resulting reciprocal-space structure factors agree quantitatively with neutron diffraction data. Here we provide clear evidence that the ions in salt water do not distort the structure of water in the same way as neat water responds to elevated pressure. Rather, the computed structural changes are restricted to the ionic first solvation shells intruding into the hydrogen bond network, beyond which the oxygen radial-distribution function does not undergo major change relative to neat water. Our findings suggest that the widely cited pressure-like effect on the solvent in Hofmeister series ionic solutions should be carefully revisited.

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

Water use of co‐occurring loblolly ( Pinus taeda ) and shortleaf ( Pinus echinata ) in a loblolly pine plantation in the Piedmont

Abstract Measuring water use in co‐occurring loblolly pine (Pinus taedaL.) and shortleaf pine (Pinus echinataMill.) enhances our understanding of their competitive water use and aids in refining watershed water budget model parameters. This study was conducted in a 12‐ha forested headwater catchment in the Piedmont of North Carolina, southeastern U.S., from 2018 to 2019 (pre‐thinning) to 2020 (post‐thinning). Sap flux density (J s ), species‐level transpiration (T s ), and watershed‐level transpiration (T w ) were quantified. Water use efficiency (WUE) in loblolly and shortleaf pines was compared, alongside an investigation into how both species'J s andT s responded to atmospheric vapor pressure deficit (VPD). Loblolly pine had 19%–36% higherJ s than shortleaf pine. DailyT s for loblolly pine ranged from 15.0 to 29.0 L/day whileT s in shortleaf pine ranged from 3.0 to 6.8 L/day. TheT s was significantly higher in loblolly pine when compared to shortleaf pine likely due to higher canopy position and higher growth rates of the former. WUE, defined by annual tree biomass growth per tree water use, was not significantly different between the two. DailyJ s andT s in both species responded nonlinearly to VPD, with loblolly pine being more sensitive and variable. Species‐specific water use should be considered when quantifyingT w and developing reliable models to predict the effects of forest management practices on water resources.

Engineering↗
DOE OSTI2020

Oregon Direct Use Geothermal Well Data

This excel file provides direct use geothermal data for various wells located in Oregon. Data includes well name, location, heating application, temperature and flow of fluid, capacity, energy use, and load factor. The data is from the State of Oregon Department of Geology and Mineral Industries (linked below), where additional data downloads and metadata may be found.

15 GEOTHERMAL ENERGY↗