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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

An Improved Model For Determining Salinity Recharge Time for Deep Borehole Disposal - 20405

In a previous publication (K. P. Travis, D. Burley and F. G. F. Gibb, WM2017 Conference, Phoenix Arizona paper no. 17480) we introduced a numerical model to estimate the time it would take for a pressure perturbation to subside following its creation from the construction of a deep geological borehole in water-saturated rock. The model was based on the notion of a point source of momentum - a solution of the time-dependent pressure-diffusion equation. Using the model, we estimated that it would take on the order of 10 k years for physical equilibrium to become re-established following the sinking of a 5 km borehole in granite. The significance of such a model is that it places an upper bound on the lifetime required of a borehole sealing system - a necessary input to a borehole post-closure safety case assessment. No engineered sealing system has ever been devised which is capable of retaining its sealing properties for 10 half-lives of long-lived radioisotopes in spent fuel or high-level waste. One of the key advantages of disposing of nuclear waste via Deep Borehole Disposal (DBD) is the natural sealing provided by density stratified groundwater. Upon sinking of a borehole, and subsequent filling with fresh water, brine or drilling mud, this natural barrier may be temporarily damaged. Over time, fresh brine from the far-field will flow towards or away from the hole (driven by a pressure gradient) and will eventually re-establish the original salinity gradient. It follows that the engineered seals need last only as long as the time required for this salinity gradient to reset itself. One of the limitations of our previous model was the use of a static boundary condition on the borehole wall. The model used a boundary pressure which varied quadratically with depth (arising from differences between the pressure of a column of fresh water in the borehole and that of a column of brine in the host rock). However as brine replaces fresh water in the borehole (driven by a pressure gradient), the boundary function must change with time. We now introduce an improved model which takes this time dependent boundary condition into account. The model also takes into account the time taken for a mixture of brine and fresh water to re-establish chemical equilibrium through the process of diffusion. The paper contains the mathematical details of our new iterative model as well as results showing the time taken to reach steady state, and concentration profiles for the components of the brine-filled borehole as a function of time together with a discussion on the implications of the results for developing a post-closure safety assessment for DBD. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Borehole breakout modeling in arkose and granite rocks

The existence of a deep borehole in the Earth’s crust disturbs the local stresses and creates a stress concentration that may result in breakout and damage to the borehole. Maintaining wellbore integrity mitigates environmental impacts such as groundwater contamination, gas leakage to the atmosphere, and fluid spills and seepage at the surface. In this paper, the stability of deep boreholes (5 km) is examined by laboratory experiments and numerical models in the context of nuclear waste disposal in Israel. Two rock types in southern Israel are considered: the crystalline basement (granite) and the Zenifim Formation (arkose). A series of room-temperature triaxial rock deformation experiments were conducted at different confining pressures. This mechanical characterization was then used to parameterize the elastic properties and damage behavior of the rocks. This facilitated modeling the stability of the deep boreholes by two different formulations of damage rheology: a dynamic-oriented formulation used to model deformation immediately after the creation of the open hole and a quasi-static formulation used to model longer stress corrosion regime. The calibrated modeling results indicate greater stability with Zenifim arkose than the crystalline granite for deep borehole conditions despite the granite having a greater triaxial compressive strength. Dissipation associated with dilation and porous compaction in the arkose during deformation plays a significant stabilizing role in the borehole compared to crystalline rocks. These results suggest that common strength-based borehole stability assessment may lead to inaccurate predictions. Three-dimensional modeling of bottom-hole stress conditions and the effects of transient borehole geometry show conventional two-dimensional analysis may not be conservative when predicting borehole damage.

58 GEOSCIENCES↗
DOE OSTI2021

An Integrated Feasibility Study of Reservoir Thermal Energy Storage (RTES) in Portland, OR, USA

In regions with long cold overcast winters and sunny summers, Deep Direct-Use (DDU) can be coupled with Reservoir Thermal Energy Storage (RTES) technology to take advantage of pre-existing subsurface permeability to save summer heat for later use during cold seasons. Many aquifers worldwide are underlain by permeable regions (reservoirs) containing brackish or saline groundwater that has limited beneficial use due to poor water quality. We investigate the utility of these relatively deep, slow flowing reservoirs for RTES by conducting an integrated feasibility study in the Portland Basin, Oregon, USA, developing methods and obtaining results that can be widely applied to RTES systems elsewhere. As a case study, we have conducted an economic and social cost-benefit analysis for the Oregon Health and Science University (OHSU), a teaching hospital that is recognized as critical infrastructure in the Portland Metropolitan Area. Our investigation covers key factors that influence feasibility including 1) the geologic framework, 2) heat and fluid flow modeling, 3) capital and maintenance costs, 4) the regulatory framework, and 5) operational risks. By pairing a model of building seasonal heat demand with an integrated model of RTES resource supply, we determine that the most important factors that influence RTES efficacy in the study area are operational schedule, well spacing, the amount of summer heat stored (in our model, a function of solar array size), and longevity of the system. Generally, heat recovery efficiency increases as the reservoir and surrounding rocks warm, making RTES more economical with time. Selecting a base-case scenario, we estimate a levelized cost of heat (LCOH) to compare with other sources of heating available to OHSU and find that it is comparable to unsubsidized solar and nuclear, but more expensive than natural gas. Additional benefits of RTES include energy resiliency in the event that conventional energy supplies are disrupted (e.g., natural disaster) and a reduction in fossil fuel consumption resulting in a smaller carbon footprint. Key risks include reservoir heterogeneity and a possible reduction in permeability through time due to scaling (mineral precipitation). Lastly, a map of thermal energy storage capacity for the Portland Basin yields a total of 43,400 GWh, suggesting tremendous potential for RTES in the Portland Metropolitan Area.

14 SOLAR ENERGY↗
DOE OSTI2021

Hidden Processes During Seasonal Isolation of a High-Altitude Watershed

Biogeochemical processes capable of altering global carbon systems occur frequently in Earth’s Critical Zone–the area spanning from vegetation canopy to saturated bedrock–yet many of these phenomena are difficult to detect. Observation of these processes is limited by the seasonal inaccessibility of remote ecosystems, such as those in mountainous, snow- and ice-dominated areas. This isolation leads to a distinct gap in biogeochemical knowledge that ultimately affects the accuracy and confidence with which these ecosystems can be computationally modeled for the purpose of projecting change under different climate scenarios. To examine a high-altitude, headwater ecosystem’s role in methanogenesis, sulfate reduction, and groundwater-surface water exchange, water samples were continuously collected from the river and hyporheic zones (HZ) during winter isolation in the East River (ER), CO watershed. Measurements of continuously collected ER surface water revealed up to 50 μM levels of dissolved methane in July through September, while samples from 12 cm deep in the hyporheic zone at the same location showed a spring to early summer peak in methane with a strong biogenic signature (<65 μM, δ13C-CH4, -60.76‰) before declining. Continuously collected δ 18 O-H 2 O and δ 2 H-H 2 O isotopes from the water column exhibited similar patterns to discrete measurements, while samples 12 cm deep in the hyporheic zone experienced distinct fluctuations in δ 18 O-H 2 O, alluding to significant groundwater interactions. Continuously collected microbial communities in the river in the late fall and early winter revealed diverse populations that reflect the taxonomic composition of ecologically similar river systems, including taxa indicative of methane cycling in this system. These measurements captured several biogeochemical components of the high-altitude watershed in response to seasonality, strengthening our understanding of these systems during the winter months.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Incorporating Heterogeneity into 3D Geologic Models for the Alluvial Basin Reference Case

The unsaturated zone alluvium reference case is one of several geologic systems under consideration by the U.S. Department of Energy Office of Nuclear Energy for hosting repositories for spent nuclear fuel and associated waste (Sevougian et al., 2019). As noted by Mariner et al. (2018), the generic alluvial basin offers positive attributes that merit its consideration as a reference case by the Spent Fuel and Waste Science and Technology (SFWST) campaign. Hundreds of alluvial basins and sub-basins are scattered across the arid western United States (Figure 1-1). Precipitation and infiltration rates are relatively low with high evapotranspiration, resulting in deep regional water tables. Deep regional water tables allow for significant vertical separation between proposed repository depths and groundwater and thus longer transport paths from a hypothetical repository to an aquifer. Accumulations of alluvial sediments within these basins are typically on the order of hundreds of meters, and locally may exceed 1,000 m in thickness, as is the case for the Deming sub-basin in southern New Mexico. In alluvial basins, alluvium creates a thick geologic host medium that serves as the natural barrier system (NBS) in the conceptual model framework of a geologic disposal system and isolates the waste packages from receptors in the biosphere. Further, alluvial basin fill is typically comprised of stacked playa and lacustrine deposits along the basin axis (Perry et al., 2018). Characterized by low permeability, these layers protect the biosphere above the repository and the groundwater resources below the repository by limiting flow and transport of radionuclides.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Impact of Lateral Groundwater Flow and Subsurface Lower Boundary Conditions on Atmospheric Boundary Layer Development over Complex Terrain

Credible soil moisture redistribution schemes are essential to meteorological models, as lower boundary moisture influences the balance of surface turbulent fluxes and atmospheric boundary layer (ABL) development. While land surface models (LSMs) have vastly improved in their hydrologic representation, several commonly held assumptions, such as free-draining lower boundary, one-dimensional moisture flux, and lack of groundwater representation, can bias the terrestrial water balance. This study explores the impact of LSM hydrology representation on ABL development in the Weather Research and Forecasting (WRF) meteorological model. The results of summertime WRF simulations with Noah LSM, characterized by 2-m-thick soil and one-dimensional flow, are shown for a domain in the Colorado Rocky Mountain headwaters region. A reference WRF simulation is compared to 1) the same model with soil moisture initialized by the hydrologic model ParFlow; 2) a deep, free-draining simulation; and 3) WRF coupled to ParFlow, a three-dimensional, integrated groundwater-surface water model. Results show that both lateral transport of groundwater and the rate of drainage from the lower soil layer can weaken or reverse the coupling strength between evaporative fraction and ABL over a 5-month summer period. The resulting shifts in low-level moist convection in river valleys and thermally driven airflows yield strengthened anabatic upslope winds and perturbations to regional precipitation.

Forrester, Mary M.↗
DOE OSTI2025

Opportunistic Short‐Term Water Uptake Dynamics by Subalpine Trees Observed via In Situ Water Isotope Measurements

Abstract Variations in tree water sources are important to understand in semi‐arid ecosystems because climatic shifts towards lower snowpack and increased drought affect water availability in subalpine forests of the western US. Here, we use daily in situ measurements of stable isotopes ( 2 H & 18 O) in soil and tree stem water, soil matric potential and sap flow to study tree water uptake dynamics. We instrumented three soil profiles down to 90 cm, as well as three aspen and engelmann spruce trees near Gothic, Colorado, in the East River watershed. We observed the fate of natural isotopic variations in rainfall, soil, and plants from June to October 2022, and in August 2023 we conducted a 2 H labeled irrigation experiment. Our observations showed that all studied aspen trees compensated for water scarcity in the shallow soil by shifting the dominant water source at 60(±20) cm to ⅔ of uptake from 90 cm within a few days of a dry period. Both species relied on snowmelt stored in the subsoil to sustain transpiration. Intense rainfall caused the plant water uptake to shift partially to top soil layers within 2 days. Spruce transpiration was lower and relied more on snowmelt, because rainfall infiltration was low in the spruce stand due to high canopy interception. Our findings highlight the important role of snowmelt stored in the deep soil layers for subalpine forest drought response and the dominant fate of monsoonal rainfall to become transpiration rather than recharging groundwater and streams in the Upper Colorado River. Plain Language Summary There is a need to understand how trees in mountainous regions respond to dry conditions that lead to water scarcity, because climate projections suggest that such conditions will become more frequent in the future. Here we present a novel data set of measurements of daily stable isotopes of water across soil profiles and in tree stems of aspen and spruce. Our data show that when the upper soil dried out, aspen trees shifted to using water from deeper layers (beneath 60 cm) to keep transpiring. For spruce trees the uptake pattern is less clear, but both types of trees mainly used snowmelt stored in the deeper soil layers to survive the dry summer. After heavy rain, aspen and spruce trees switched to using water from the top 20 cm of soil. However, for spruce, only some rain reached the soil because the dense tree canopy intercepted it, so spruce trees stayed more dependent on snowmelt and used less water overall. This study shows how important deep snowmelt water is for helping forests survive dry periods and suggests that most summer rain is quickly used by trees rather than replenishing streams and groundwater in the headwaters of the Colorado River. Key Points Tree water resources changed within a few days from snow dominated to higher share of rainfall as soils wetted up after a dry period Compensatory plant water uptake by aspen from the deep layer (90 cm), while uptake from soil depths that became drier (60 cm) declined Strong differences between water sources and availability beneath aspen and spruce, respectively

Sprenger, Matthias↗
DOE OSTI2022

NRAP-Open-IAM: Generic Aquifer Component Development and Testing

The Generic Aquifer Model calculates the concentrations of dissolved salt and dissolved CO 2 surrounding a leaking legacy well. The Generic Aquifer model can also estimate the size of an “impact plume” where concentration changes exceed user-specified thresholds. The model is a component of NRAP-Open-IAM, an open-source Integrated Assessment Model (IAM) developed by the National Risk Assessment Partnership (NRAP) to perform risk assessment for geologic CO 2 storage. The input parameters were selected to cover a wide range of groundwater aquifers and leakage rates. The generic aquifer model was developed using a generative adversarial deep learning network, trained using a large synthetic dataset of STOMP multiphase flow simulations. The deep learning model predictions of dissolved salt and dissolved CO 2 in the aquifer compare well to the original STOMP simulation results. The extent of aquifer impacted by leaking CO 2 or brine is calculated using a user-defined mass fraction threshold. The aquifer impact volumes calculated based on STOMP simulation results compare well to those calculated based on the deep learning model. In a provided python script, gridded observation results from the generic aquifer component of NRAP-Open-IAM are converted to HDF5 format files for monitoring design with the DREAM code.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

OB200-DV-1 Treatability Testing: Final Results

The Hanford Site in Washington state previously generated plutonium for nuclear weapons. During operations, radionuclide byproducts and chemical process fluids were intentionally and/or unintentionally released to the subsurface, resulting in more than 800 contaminated waste sites across the Central Plateau, where historical chemical separations and waste management activities took place. As the Hanford Site mission transitioned from operations to site cleanup, remediation of the vadose zone and groundwater became a priority. However, given the depth of the unsaturated zone contamination above the groundwater, the unique nature of the waste, and the continuing impacts on groundwater quality, technologies needed to be identified and evaluated for in situ remediation in the deep vadose zone (DVZ). A laboratory treatability study has been completed to evaluate site-relevant effectiveness for nine in situ technologies that may be used to treat continuing sources of contaminants in specific areas of the Central Plateau waste sites that are grouped into the 200-DV-1 Operable Unit (OU). The 200-DV-1 OU was established in 2010 to address 43 Central Plateau waste sites with complex DVZ remediation challenges. Eight of these technologies were identified through a prescreening effort that evaluated remedial technologies potentially applicable to DVZ contamination in the Central Plateau . These eight technologies were selected for further study based on site specific knowledge gaps about their effectiveness. A ninth technology was added to the treatability study based on new information from separate laboratory investigations (conducted following the prescreening effort) demonstrating the technology’s potential effectiveness (see Section 1.2 for more information) and value for inclusion in the treatability study.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Borehole Disposal of Radioactive Waste in Israel - 20388

Israel is assessing borehole disposal of radioactive waste. With limited geological options for disposal, intermediate-depth borehole disposal is being considered in the arid Yamin Plain region of the northeastern Negev desert at depths of several hundred meters below ground surface in the vadose zone. Unlike deep borehole disposal of several kilometers, which relies on emplacement below the depth of recirculating groundwater, the safety case for intermediate-depth borehole disposal relies more on the aridity of the vadose zone, the robustness of the waste package, and the other engineered barriers (e.g., seals, backfill materials) in the disposal borehole. As a tradeoff, the shallower depth may allow the use of a larger diameter borehole than would be possible for a deeper borehole. To study the suitability of the Yamin Plain region for borehole disposal, a small-diameter characterization borehole is being planned to retrieve core samples and to better understand the vadose zone geomechanical and hydrogeochemical properties and percolation flux. The information from the characterization borehole will inform the safety case, and together with performance assessment analyses will help to identify key areas of uncertainty and guide future research and development activities aimed at demonstrating the feasibility of the intermediate-depth borehole disposal concept in Israel. (authors)

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

Vadose Zone Soil Flushing for Chromium Remediation: A Laboratory Investigation to Support Field‐scale Application

Cr(VI) flushing from the vadose zone to the groundwater (with subsequent Cr(VI) removal in groundwater by pump-and-treat system) is a promising remedial technique that has recently been used at field scale. This laboratory study was conducted to provide the technical basis to design a field soil flushing strategy. The objectives were to (1) quantify the relationship between sediment Cr(VI) and Cr(III) mass and release rates and subsequent Cr(VI) leaching; (2) investigate different methodologies to maximize Cr(VI) leaching, and (3) investigate methods to minimize leaching of remaining residual Cr. Characterization of Cr-contaminated sediments (Hanford Site, WA) exhibited Cr(VI) showed that leach rates that were correlated to different Cr surface phases. Sediments with low leachable Cr(VI) (<2 μg/g) leached Cr rapidly, so slow infiltration of water in a single pulse was sufficient to leach most Cr. In contrast, sediments with high Cr (2 to 200 μg/g) released some Cr(VI) quickly but 10 to 50% Cr(VI) slowly (tens to hundreds of hours). Efficient unsaturated leaching of these sediments required a different infiltration strategy that includes: multiple slow leach pulses with time between flushing cycles; the use of a surfactant to increase Cr leaching from low-permeability zones, and the use of a reductant (Na-dithionite or Ca-polysulfide) in the final leach water was highly effective at decreasing residual Cr leaching. This study clearly demonstrated that the methodology of basing laboratory Cr flushing on parameters such as Cr release mass and rates could be used to improve the efficiency of soil flushing at field scale.

Accelerated Cr Flushing↗
DOE OSTI2025

Transfer learning of neural surrogates on multifidelity groundwater simulations

Multifidelity data used in the paper published in Advances in Water Resources 206 (2025) 105140, https://doi.org/10.1016/j.advwatres.2025.105140 The code used to process the data is openly available on GitHub at https://github.com/Model-Reduction-and-UQ-Group/Transfer_Learning_K_reconstruction Computationally inexpensive surrogates of process-based models, such as deep neural networks, enable ensemble-based computations used in risk assessment, data assimilation, etc. However, generation of large datasets required to train a neural network can be as expensive as the ensemble simulations themselves. We ameliorate this challenge by using data from multifidelity (MF) groundwater simulations and transfer learning (TL) to reduce data generation costs while maintaining model accuracy. As a computational example, we train a deep convolutional neural network (CNN) to reconstruct permeability fields from saturation maps derived from a multiphase flow model. Starting with very low- and low-fidelity data generated on increasingly coarse meshes, we pretrain the CNN, followed by output-layer training and fine-tuning using only a limited number of high-fidelity samples. We demonstrate the surrogate’s robustness when interpreting low-quality inputs—such as interpolated maps or data affected by noise—which has strong implications for the applicability in practical hydrogeological scenarios. This multilevel MF-TL strategy achieves a favorable trade-off between computational efficiency and predictive accuracy, significantly outperforming high-fidelity-only approaches under the same computational budget.

Chiofalo, Alessia [University of Bologna] (ORCID:0↗
DOE OSTI2021

Influence of Agricultural Managed Aquifer Recharge (AgMAR) and Stratigraphic Heterogeneities on Nitrate Reduction in the Deep Subsurface

This data package contains input files for TOUGHREACT for a modeling study examining the effects of managed aquifer recharge on agricultural lands on nitrate cycling and transport in the Central Valley of CA near Modesto. The files contain all the geochemical species, reactions, and hydrological parameters for the model. The files are text files used for the TOUGH family of code created by LBNL. To use the files a license is required. https://tough.lbl.gov/licensing-download/toughreact-licensing-download/Accompanying Paper Abstract: Agricultural managed aquifer recharge (AgMAR) is a proposed management strategy whereby surface water flows are used to intentionally flood croplands with the purpose of recharging underlying aquifers. However, legacy nitrate (NO3-) contamination in agriculturally-intensive regions poses a threat to groundwater resources under AgMAR. To address these concerns, we use a reactive transport modeling framework to better understand the effects of AgMAR management strategies (i.e., by varying the frequency, duration between flooding events, and amount of water) on N leaching to groundwater under different stratigraphic configurations and antecedent moisture conditions. In particular, we examine the potential of denitrification and nitrogen retention in deep vadose zone sediments (~15 m) using variable AgMAR application rates on two-dimensional representations of differently textured soils, soils with discontinuous bands/channels, and soils with preferential flow paths characteristic of typical agricultural field sites. Our results indicate that finer textured sediments, such as silt loams, alone or embedded within high flow regions, are important reducing zones providing conditions needed for denitrification. Simulation results further suggest that applying water all-at-once rather than in increments for a fixed volume of recharge transports higher concentrations of NO3- deeper into the profile, which has the potential to exacerbate groundwater quality. This transport into deeper depths can be aggravated by wetter antecedent soil moisture conditions. However, applying water all-at-once also increases denitrification within the vadose zone by promoting anoxic conditions. We conclude that AgMAR management strategies can be designed to enhance denitrification in the subsurface and reduce N leaching to groundwater, while specifically accounting for lithologic heterogeneity, antecedent soil moisture conditions, and depth to the water table. Our findings are potentially relevant to other systems that experience flooding inundation such as riparian corridors, floodplains, wetlands, and other managed landscapes like dedicated recharge basins.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Corrosion of 316 SS in direct contact with Zircaloy-4 in repository relevant conditions

The effects of interfacial contact between 316 stainless steel (316 SS) waste canister and spent fuel cladding material (Zircaloy-4) in case of water intrusion into a deep geological repository are investigated. Hydrothermal corrosion experiments of 316 SS and Zircaloy-4 in direct contact were performed at elevated temperatures in MilliQ water and simulated Mont Terri groundwater. Hematite, magnetite, chromite, and baddeleyite form as secondary phases. pH of the Mont Terri solution increases with corrosion duration and magnetite forms preferentially instead of hematite. Thermodynamic modeling shows that iron oxidation in 316 SS controls the pH and redox potential of the aqueous environment and is in good agreement with experimental Mont Terri results, showing that experimental Mont Terri results trend to equilibrium. All oxides except hematite are predicted to exist at thermodynamic equilibrium based on calculations, implying that experimentally formed hematite will be reduced or transformed to magnetite at equilibrium. The thermodynamically predicted chromite was observed to form only at the interface where 316 SS was in contact with Zircaloy-4 at 250°C, showing that contact with Zircaloy-4 seems to accelerate the 316 SS corrosion to thermodynamic equilibrium. Finally, Mont Terri groundwater readily trends towards thermodynamic equilibrium, leading to a pH and redox buffered system that is dominated by iron in solution coming from the accelerated corrosion of 316 SS caused by Zircaloy-4 contact.

316 stainless steel↗
DOE OSTI2020

Surrogate Model Development of Spent Fuel Degradation for Repository Performance Assessment

In model simulations of deep geologic repositories, UO 2 fuel matrix degradation typically begins as soon as the waste package breaches and groundwater contacts the fuel surface. The initial degradation rate depends on the timing of these events, burnup of the fuel, temperature, and concentrations of dissolved reactants. Estimating the initial rate of degradation is fairly straightforward, but as UO 2 corrosion products precipitate on the fuel surface and the movement of dissolved species between the fuel surface and environment is impeded by the precipitated solids, the rate is more difficult to quantify. At that point, calculating the degradation rate becomes a reactive-transport problem in which a large number of equations must be solved by iteration for a large number of grid cells at each time step. The consequence is that repository simulations, which are already expensive, become much more expensive, especially when hundreds or thousands of waste packages breach. The Fuel Matrix Degradation (FMD) model is the process model of the Spent Fuel and Waste Science and Technology (SFWST) campaign of the US Department of Energy (DOE). It calculates spent fuel degradation rates as a function of radiolysis, redox reactions, electrochemical reactions, alteration layer growth, and diffusion of reactants through the alteration layer. Like other similar fuel degradation process models, it is a complicated model requiring a large number of calculations and iterations at each time step.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Active anaerobic methane oxidation and sulfur disproportionation in the deep terrestrial subsurface

Abstract Microbial life is widespread in the terrestrial subsurface and present down to several kilometers depth, but the energy sources that fuel metabolism in deep oligotrophic and anoxic environments remain unclear. In the deep crystalline bedrock of the Fennoscandian Shield at Olkiluoto, Finland, opposing gradients of abiotic methane and ancient seawater-derived sulfate create a terrestrial sulfate-methane transition zone (SMTZ). We used chemical and isotopic data coupled to genome-resolved metaproteogenomics to demonstrate active life and, for the first time, provide direct evidence of active anaerobic oxidation of methane (AOM) in a deep terrestrial bedrock. Proteins from Methanoperedens (formerly ANME-2d) are readily identifiable despite the low abundance (≤1%) of this genus and confirm the occurrence of AOM. This finding is supported by 13C-depleted dissolved inorganic carbon. Proteins from Desulfocapsaceae and Desulfurivibrionaceae, in addition to 34S-enriched sulfate, suggest that these organisms use inorganic sulfur compounds as both electron donor and acceptor. Zerovalent sulfur in the groundwater may derive from abiotic rock interactions, or from a non-obligate syntrophy with Methanoperedens, potentially linking methane and sulfur cycles in Olkiluoto groundwater. Finally, putative episymbionts from the candidate phyla radiation (CPR) and DPANN archaea represented a significant diversity in the groundwater (26/84 genomes) with roles in sulfur and carbon cycling. Our results highlight AOM and sulfur disproportionation as active metabolisms and show that methane and sulfur fuel microbial activity in the deep terrestrial subsurface.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Deep Neural Network Informed Markov Chain Monte Carlo Methods

In subsurface flow modeling, quantifying the uncertainty of model parameters and the corresponding uncertainly on output quantities is a crucial task for groundwater management. Markov chain Monte Carlo (MCMC) methods can take advantage of observed data to estimate parameters in a Bayesian setting. However, MCMC can be slow to converge and produce highly correlated samples when the dimensions of the parameters is high. Using gradients for the posterior distribution can help samplers explore the parameter space more efficiently, but obtaining gradients can be computationally challenging.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Modelling yield cap evolution in sandstone based on brittle creep experiments

The Zenifim Formation is being considered as a potential disposal formation for a deep borehole nuclear repository concept in Israel. Site selection and repository construction are intended to ensure that waste is separated from circulating groundwater, but long-term deformation of the wellbore could potentially create fluid flow pathways. To understand how time-dependent rock strength could affect wellbore stability, here we conducted creep tests under low to moderate confining pressures on retrieved core from the Zenifim formation. During creep, samples strain slowly as gradual damage accumulation progressively weakens the samples. Failure eventually occurred through the near-instantaneous formation of a shear fracture. Experimental results were used to calibrate a continuum damage poro-elastic model for sandstones. The calibrated damage-poro-elastic model successfully simulates different types of loading experiments including quasi-static and creep. The state of strain in experiments is close to yield during loading as the yield cap continuously evolves with damage accumulation. For creep tests, most damage occurs during triaxial loading. Minor damage accumulation occurs under constant load until the final stage of creep, where damage accelerates and promotes unstable fracturing.

58 GEOSCIENCES↗