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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Scaling deep learning for material imaging with a pseudo 3D model for domain transfer

The recent introduction of deep learning methods for image processing has greatly advanced the characterization of materials using three-dimensional (3D) X-ray imaging techniques. However, deep learning models often have difficulty performing consistently across images owing to unavoidable variations in imaging conditions, which create inconsistencies even for the same material. As a result, networks must frequently be retrained for new datasets, limiting their applicability and generalization. Thus, it is critical to reduce the variations between images to enable a single model to process multiple datasets. Herein, we introduce P3T-Net, a pseudo-3D domain transfer network that transfers diverse 3D images into a uniform domain before processing using deep learning models. Remarkably, P3T-Net enables the reuse of previously trained networks for processing new images and considerably reduces the computational cost of transferring 3D images across domains. These unique capabilities were demonstrated in the following scenarios: (i) image enhancement of fast scans for geological rock and hydrogen fuel cells, (ii) enhancement of images to match the quality of multi-source imaging for lithium-ion batteries, (iii) accurate segmentation of images captured under different conditions, and (iv) tera-scale 3D transfer (10 11 voxels) on a single GPU. Overall, the proposed approach addresses cross-domain inconsistencies across various materials and conditions, thereby enabling more robust and generalizable deep learning solutions for a wide range of material imaging tasks.

25 ENERGY STORAGE↗
DOE OSTI2020

SECARB Semi-Annual Field Review Reports - Early Test

The Southern States Energy Board (SSEB) managed the overall Southeast Regional Carbon Sequestration Partnership (SECARB) Phase III project and The Bureau of Economic Geology (BEG), at the University of Texas at Austin, managed all activities associated with the Early Test field site near Cranfield, Mississippi (the Early Test or Cranfield Project). BEG was assisted in the management of site activities by Sandia Technologies (Sandia). BEG and Sandia implemented reporting procedures that included monthly and quarterly technical progress reports, as well as periodic reporting on key field activities. Subsequent sections of this report catalog the field activities and are organized in a semiannual chronology. The Cranfield Project was located approximately 12 miles east of Natchez, Mississippi. Denbury Onshore, LLC, began operating a commercial CO 2 flood of the field (using the subsurface injection of CO 2 for EOR) in June 2008. Carbon dioxide from the Jackson Dome, a natural source near Jackson, Mississippi, was delivered to the Cranfield oilfield via pipeline. Beginning in October 2008, the SECARB Early Test team characterized the surface and subsurface of the Cranfield site. During the field test CO 2 was injected into the lower Tuscaloosa Formation, a regionally extensive saline formation with the potential to hold millions of tons of CO 2 emissions. By January 2015, the team injected more than 11 million metric tons of CO 2 and monitored a total stored CO 2 mass of 5,326,975 metric tons. SECARB’s study operations occurred in four integrated research program areas within Cranfield field: (1) the High Volume Injection Test area (HiVIT); (2) the Detailed Area of Study (DAS); (3) the Geomechanical area; and (4) the near-surface observatory, also called the “P-site.” Carbon dioxide injection activities were conducted at the HiVIT and the DAS. Figure 1.1-1 provides a depiction of the DAS.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2024

Ensemble Kalman inversion of induced polarization data

SUMMARY This paper explores the applicability of ensemble Kalman inversion (EKI) with level-set parametrization for solving geophysical inverse problems. In particular, we focus on its extension to induced polarization (IP) data with uncertainty quantification. IP data may provide rich information on characteristics of geological materials due to its sensitivity to characteristics of the pore–grain interface. In many IP studies, different geological units are juxtaposed and the goal is to delineate these units and obtain estimates of unit properties with uncertainty bounds. Conventional inversion of IP data does not resolve well sharp interfaces and tends to reduce and smooth resistivity variations, while not readily providing uncertainty estimates. Recently, it has been shown for DC resistivity that EKI is an efficient solver for inverse problems which provides uncertainty quantification, and its combination with level set parametrization can delineate arbitrary interfaces well. In this contribution, we demonstrate the extension of EKI to IP data using a sequential approach, where the mean field obtained from DC resistivity inversion is used as input for a separate phase angle inversion. We illustrate our workflow using a series of synthetic and field examples. Variations with uncertainty bounds in both DC resistivity and phase angles are recovered by EKI, which provides useful information for hydrogeological site characterization. Although phase angles are less well-resolved than DC resistivity, partly due to their smaller range and higher percentage data errors, it complements DC resistivity for site characterization. Overall, EKI with level set parametrization provides a practical approach forward for efficient hydrogeophysical imaging under uncertainty.

Geochemistry & Geophysics↗
DOE OSTI2024

Characterization of the Structural–Stratigraphic and Reservoir Controls on the Occurrence of Gas Hydrates in the Eileen Gas Hydrate Trend, Alaska North Slope

One of the most studied permafrost-associated gas hydrate accumulations in Arctic Alaska is the Eileen Gas Hydrate Trend. This study provides a detailed re-examination of the Eileen Gas Hydrate Trend with a focus on the gas hydrate accumulation in the western part of the Prudhoe Bay Unit. This integrated analysis of downhole well log data and published geophysical data has provided new insight on structural, stratigraphic, and reservoir controls on the occurrence of gas hydrates in the Eileen Gas Hydrate Trend. This study revealed the relatively complex nature of the gas hydrate occurrences in the Eileen Gas Hydrate Trend, with gas hydrates present in a series of coarsening upward, laterally pervasive, mostly fine-grained sand beds exhibiting high gas hydrate saturations. Most of the gas hydrate-bearing reservoirs in the Eileen Gas Hydrate Trend are laterally segmented into distinct northwest- to southeast-trending fault blocks, occur in a combination of structural–stratigraphic traps, and are only partially hydrate filled with distinct down-dip water contacts. These findings suggest that the traditional parts of a petroleum system (i.e., reservoir, gas source, gas migration, and geologic timing of the system formation) also control the occurrence of gas hydrates in the Eileen Gas Hydrate Trend.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2020

Optimization of the Post-Operational Phase on Two Belgian Multi-Unit Nuclear Power Plants: the Case of the Non-Fissile Irradiated Core Items - 20156

The current legal framework in Belgium foresees the progressive phase out of nuclear power between October 2022 (Doel 3) and December 2025 (Doel 2). Upon its definitive shutdown, each unit of the Tihange and Doel sites will enter a Post-Operational Phase (POP) and be prepared for its Decontamination and Decommissioning (D and D). Prior to obtaining the D and D license, the Operator Electrabel is legally required to remove any non-fissile irradiated core items stored in the deactivation pools. The non-fissile irradiated core items consist essentially of control rods, poison rods and source thimbles as well as thimble plugs and foreign materials irradiated during operation: - Their significant content in highly radiant radionuclides (up to 6 TBq of Co-60 per kg of irradiated material) renders all existing operational waste management processes inadequate due to insufficient biological shielding; - Their high concentrations in long-lived radionuclides call for their disposal in a geological repository for which no final design nor waste acceptance criteria are expected prior to 2050. Uncertainties in the Belgian energy supply and security, however, require the Operator to be prepared for a partial nuclear phase out, where one or more units would benefit from lifetime extension while the remaining units would undergo decommissioning. The present paper aims at presenting how Electrabel, in partnership with Tractebel, addressed this challenge by maximizing the use of synergies within the respective sites as well as between both sites themselves, all the while accounting for site specificities. The most recent results and state of progress of the project will be detailed and the first lessons learned will be shared. The project has been split in multiple tasks and phased as follows: - An inventory phase aimed at mapping the contents, origin, composition and history of the non-fissile irradiated core items; - A pre-characterization phase based on neutron activation models; - A waste sorting phase aimed at separating waste forms for which an evacuation route exists from those for which such route does not exist; - A feasibility phase aimed at exploring all possible scenarios for the management of non-fissile irradiated core items and identifying the optimal feasible solution for each site; - A preparation phase (currently ongoing), developing further the optimal solution and ensuring that back-up solutions are available for any foreseeable change of context (licensing issue, modification in the nuclear phase-out program, etc.) and initiating early contacts with potential subcontractors for segmentation works and cask manufacturers, as well as the Belgian regulatory body and waste management agency. This phase also foresees the investigation of destructive and non-destructive radiological measurements to support the detailed characterization of the waste forms; - A realization phase (future work). (authors)

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

3D Time-Lapse Electrical Resistivity Imaging of Rock Damage Patterns and Gas Flow Paths Resulting from Two Underground Chemical Explosions

Abstract Rock damage from underground nuclear explosions (UNEs) has a strong influence on sub-surface gas movement and on seismic waveform characteristics, both of which are used to detect UNEs. Although advanced numerical simulation capabilities exist to predict rock damage patterns and corresponding detection signals, those predictions are dependent on (generally) unknown properties of the host rock. For example, the effects of in-situ mechanical heterogeneities on the explosively generated damage/fractures that provide gas flow pathways to the surface are not well understood, due largely to the difficulty in accessing and characterizing the near-source region. In this paper we demonstrate the emerging use of electrical resistivity tomography (ERT) for imaging rock damage and gas flow patterns resulting from two relatively small-scale underground chemical explosions. Pre-explosion ERT and crosshole seismic imaging revealed a natural fracture zone within the test bed. Post-explosion imaging revealed that the damage zone was non-symmetric and was focused primarily within the pre-existing fracture zone, located 10 m above the first explosion and 5 m above the second explosion. Time-lapse ERT imaging of heated air injected into the detonation borehole revealed the primary gas flow paths to be within the upper margin of the same primary damage zone. These results point to the utility of ERT imaging for understanding rock damage and gas flow patterns under experimental conditions, and to the importance of understanding the effects of geologic heterogeneity on UNE detection signals, particularly gas surface breakthrough times.

58 GEOSCIENCES↗
DOE OSTI2022

Relationships between fault characteristics and seismic responses in a large lab-scale tri-axial injection test conducted on a faulted Castlegate Sandstone

Here to investigate mechanisms causing microseismicity (M w < 2) at a CO 2 injection site, a large-scale triaxial block experiment was carried out on a faulted (saw-cut) cubic-meter of Castlegate Sandstone. The experiment consisted of injection tests at varying differential stresses, while monitoring and recording pore pressure and acoustic emissions (AEs). During the experiment, ~33,000 AEs and ~14 mm of horizontal displacement/slip, like a strike-slip fault movement, occurred. To understand the AE responses and ascertain fault characteristics near the located AEs, we modeled the topography of the fault surface, fault aperture, and fault-gouge thickness using pre- and post-experiment laser scans of the fault surface on each half of the block. Additionally, we characterized surface roughness parallel and perpendicular to slip. Models show crushing and flattening of the fault surfaces can be linked to the spatiotemporal distribution of AEs within 50 mm of the fault surface. Approximately 65% of AEs were in areas with small aperture (≤300 μm); thicker fault gouge was observed in adjacent areas with wider aperture and shows a two-fold reduction in grain size relative to unaltered Castlegate Sandstone. This work provides a conceptual understanding on fault surface evolution, which can be applied towards modeling of seismic slip.

58 GEOSCIENCES↗
DOE OSTI2026

De-Risking Exploration for Geothermal Plays in Magmatic Environments Through Open-Source Tools: An Open-Source Python Framework for 2D and 3D Play Fairway Analysis

The De-Risking Exploration for Geothermal Plays in Magmatic Environments (DEEPEN) project seeks to accelerate superhot geothermal development by reducing exploration risk through advanced open-source modeling tools. This work presents a novel Python-based framework, geoPFA, for conducting 2D and 3D play fairway analysis (PFA) tailored to superhot geothermal systems. Building on previous methodologies, the framework integrates thermo-hydro-mechanical-chemical simulation outputs from TReactMech, resulting in improved representation of subsurface properties that are critical to superhot resource producibility. The workflow has been applied to the Nesjavellir field in Iceland, a candidate site for the third Iceland Deep Drilling Project's superhot production scenarios. This application demonstrates the value of modular, transparent, and extensible workflows for integrating geological, geophysical, and simulation-derived datasets in high-enthalpy environments. Preliminary results indicate favorable zones consistent with known hydrothermal activity and suggest possible upflow from the Hengill volcanic system. The geoPFA library is publicly available, offering a scalable and reproducible approach to geothermal exploration across varied geological contexts.

15 GEOTHERMAL ENERGY↗
DOE OSTI2022

Application of machine learning to characterize gas hydrate reservoirs in Mackenzie Delta (Canada) and on the Alaska north slope (USA)

Here, artificial neural network-trained models were used to predict gas hydrate saturation distributions in permafrost-associated deposits in the Eileen Gas Hydrate Trend on the Alaska North Slope (ANS), USA and at the Mallik research site in the Beaufort-Mackenzie Basin, Northwest Territories, Canada. The database of Logging-While-Drilling (LWD) and wireline logs collected at five wells (Mount Elbert, Ignik Sikumi, and Kuparuk 7–11–12 wells at ANS, plus 2L-38 and 5L-38 wells at the Mallik research site) includes more than 10,000 depth points, which were used for training, validation, and testing the machine learning (ML) models. Data used in training the ML models include the well logs of density, porosity, electrical resistivity, gamma radiation, and acoustic wave velocity measurements. Combinations of two or three out of these five well logs were found to reliably predict the gas hydrate saturation with accuracy varying between 80 and 90% when compared to the gas hydrate saturations derived from Nuclear Magnetic Resonance (NMR)-based technique. The ML models trained on data from three ANS wells achieved high fidelity predictions of gas hydrate saturation at the Mallik site. The results obtained in this study indicate that ML models trained on data from one geological basin can successfully predict key reservoir parameters for permafrost-associated gas hydrate accumulations within another basin. A generalized approach for selecting a well log combination that can improve model accuracy is discussed. Overall, the study outcome supports earlier work demonstrating that ML models trained on non-NMR well logs are a viable alternative to physics-driven methods for predicting gas hydrate saturations.

58 GEOSCIENCES↗
DOE OSTI2021

Quantifying particle-scale 3D granular dynamics during rapid compaction from time-resolved in situ 2D x-ray images

Understanding the particle-scale dynamics of granular materials during rapid compaction and flow is of fundamental importance for manufacturing, planetary science, geology, and defense applications. Time-resolved 2D radiography and static 3D x-ray tomography are powerful in situ tools for studying particle-scale dynamics but provide detail only in 2D or with significant time-scale limitations, respectively. Here, we introduce a new method that uses 2D in situ x-ray imaging for determining time-resolved 3D particle-scale dynamics in rapidly compressed granular materials. The method employs initial particle packing structures obtained from x-ray tomography, a 2D x-ray image generation algorithm, and an optimization algorithm. We first describe and validate the method using finite element simulations. Furthermore, we then apply the technique to x-ray phase-contrast images obtained during rapid compaction of granular materials with varying particle morphology and sample thickness. The depth-resolved particle-scale dynamics reveal complex velocity and porosity fields evolving heterogeneously along and perpendicular to the compaction direction. We characterize these features, their fluctuations near the compaction front, and the compaction front thickness. Our technique can be applied to understanding granular dynamics during rapid compaction events, and rearrangements during slower, but non-quasi-static, flows.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Mechanisms for Microseismicity Occurrence Due to CO 2 Injection at Decatur, Illinois: A Coupled Multiphase Flow and Geomechanics Perspective

Here, we numerically investigate the mechanisms that resulted in induced seismicity occurrence associated with CO 2 injection at the Illinois Basin–Decatur Project (IBDP). We build a geologically consistent model that honors key stratigraphic horizons and 3D fault surfaces interpreted using surface seismic data and microseismicity locations. We populate our model with reservoir and geomechanical properties estimated using well-log and core data. We then performed coupled multiphase flow and geomechanics modeling to investigate the impact of CO 2 injection on fault stability using the Coulomb failure criteria. We calibrate our flow model using measured reservoir pressure during the CO 2 injection phase. Our model results show that pore-pressure diffusion along faults connecting the injection interval to the basement is essential to explain the destabilization of the regions where microseismicity occurred, and that poroelastic stresses alone would result in stabilization of those regions. Slip tendency analysis indicates that, due to their orientations with respect to the maximum horizontal stress direction, the faults where the microseismicity occurred were very close to failure prior to injection. These model results highlight the importance of accurate subsurface fault characterization for CO 2 sequestration operations.

58 GEOSCIENCES↗
DOE OSTI2020

Evaluation of Nuclear Spent Fuel Disposal in Clay-Bearing Rock - Process Model Development and Experimental Studies

The DOE R&D program under the Spent Fuel Waste Science Technology (SFWST) campaign has made key progress in modeling and experimental approaches towards the characterization of chemical and physical phenomena that could impact the long-term safety assessment of heat-generating nuclear waste disposition in deep clay/shale/argillaceous rock. International collaboration activities such as heater tests and postmortem analysis of samples recovered from these have elucidated key information regarding changes in the engineered barrier system (EBS) material exposed to years of thermal loads. Chemical and structural analyses of sampled bentonite material from such tests has as well as experiments conducted on these are key to the characterization of thermal effects affecting bentonite clay barrier performance and the extent of sacrificial zones in the EBS during the thermal period. Thermal, hydrologic, and chemical data collected from heater tests and laboratory experiments has been used in the development, validation, and calibration of THMC simulators to model near-field coupled processes. This information leads to the development of simulation approaches (e.g., continuum vs. discrete) to tackle issues related to flow and transport at various scales of the host-rock and EBS design concept. Consideration of direct disposal of large capacity dual-purpose canisters (DPCs) as part of the back-end SNF waste disposition strategy has generated interest in improving our understanding of the effects of elevated temperatures on the EBS design. This is particularly important for backfilled repository concepts where temperature plays a key role in the EBS behavior and long-term performance. This report describes multiple R&D efforts on disposal in argillaceous geologic media through development and application of coupled THMC process models, experimental studies on clay/metal/cement barrier and host-rock (argillite) material interactions, molecular dynamic (MD) simulations of water transport during (swelling) clay dehydration, first-principles studies of metaschoepite (UO 2 corrosion product) stability, and advances in thermodynamic plus surface complexation database development. Drift-scale URL experiments provides key data for testing hydrological-chemical (HC) model involving strong couplings of fluid mixing and barrier material chemical interactions. The THM modeling focuses on heater test experiments in argillite rock and gas migration in bentonite as part of international collaboration activities at underground research laboratories (URLs). In addition, field testing at an URL involves in situ analysis of fault slip behavior and fault permeability. Pore-scale modeling of gas bubble migration is also being investigated within the gas migration modeling effort. Interaction experiments on bentonite samples from heater test under ambient and elevated temperatures permit the evaluation of ion exchange, phase stability, and mineral transformation changes that could impact clay swelling. Advances in the development, testing, and implementation of a spent nuclear fuel (SNF) degradation model coupled with canister corrosion focus on the effects of hydrogen gas generation and its integration with Geologic Disposal Safety Assessment (GDSA). GDSA integration activities includes evaluation of groundwater chemistries in shale formations.

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

Hydro-mechanical behavior of heated bentonite buffer for geologic disposal of high-level radioactive waste: A bench-scale X-ray computed tomography investigation

The behavior of heated bentonite buffer is critical for the security and long-term performance of a geological repository for high-level radioactive waste (HLW). While laboratory column experiments have been conducted to investigate compacted bentonite and coupled THMC (thermal-hydro-mechanical and chemical) processes for a moderate temperature range of up to 100 °C, data for a higher temperature range are limited. Understanding bentonite behavior and coupled THMC processes under higher temperatures (e.g., up to 200 °C) could allow for a more economic repository design and would expand the data and knowledge base for more reliable modeling. In this study, a bench-scale experiment was conducted in a compacted bentonite column experiencing both heating up to 200 °C in the center and hydration from a sand-clay boundary surrounding the column. During the experiment run for 1.5 years, frequent X-ray computed tomography (CT) scanning of bentonite provided insights into the spatiotemporal evolution of (1) hydration/dehydration, (2) clay swelling/shrinkage, (3) displacement, and (4) mineral precipitation. After the experiment, a comprehensive post-dismantling characterization of bentonite samples was conducted. Results showed that the bentonite hydration was axi-symmetrical despite the initial heterogeneity due to packing, confirming the ability of bentonite to seal fast flow/transport paths. Further, compared to a non-heated control experiment, the heated column showed greater CT density variations along the radial distance, indicating that homogenization of bentonite might be more difficult if a temperature gradient is maintained in the repository. Precipitation of an anhydrite layer occurred in the inner hot zone, pointing to potential concerns about salt precipitation causing canister corrosion. Ultimately, the experiments provided a high-resolution window into the strongly dynamic and coupled behavior of bentonite exposed to heating, hydration and swelling, which will be valuable for improving modeling of coupled processes, especially for the early state of a HLW repository.

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

Maximizing oil production from water alternating gas (CO 2 ) injection into residual oil zones: The impact of oil saturation and heterogeneity

Residual oil zones (ROZs) are widespread reservoirs, characterized by oil at residual saturation, either underlying oil fields (brownfield) or lateral (greenfield) to such fields. These reservoirs have the potential to produce volumes of oil sufficiently significant to make appreciable impacts on the US’s oil reserves and associated incidental CO 2 sequestration. The objective of this study is to improve our understanding the impact of heterogeneous and low oil saturations, in brownfield ROZs, on the effectiveness of water alternating gas (WAG) injection strategies. ROZs occur in the Permian Basin and elsewhere, and operators are using CO 2 injection for enhanced oil recovery (EOR) in these zones. The consensus model for the formation of ROZs is that they were formed by the effect of faster regional aquifer flow, acting over millions of years. Both the magnitude of oil saturation and the spatial distribution of oil differ from water-flooded main pay zones (MPZs). To explore the most effective injection strategies, we conducted simulations of CO 2 injection into synthetic geologic reservoirs. These simulations focused on injection into reservoirs subject to either man-made waterflooding or long-term natural waterflooding. By exploring the impact of varying: oil saturation; well patterns; reservoir heterogeneity; and permeability anisotropy, we attempt to quantify the factors that most influence the effectiveness of WAG injection. WAG ratios (the ratio of injected water and CO 2 , in reservoir volumes) of interest are those that either minimize the net CO 2 utilization ratios or maximize oil production rates. In general, the most effective WAG ratios for ROZs, are consistently less than those observed undergoing CO 2 injection in the same geologic reservoir models after traditional (man-made) waterflooding. This work demonstrates that most favorable WAG ratios for oil production in ROZs are different from those in traditional MPZs because of oil saturation differences. Therefore, CO 2 injection into both zones or directly copying WAG injection designs from MPZs to ROZs might not maximize oil production.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2024

Synthesis of historical reservoir operations from 1980 to 2020 for the evaluation of reservoir representation in large-scale hydrologic models

Abstract. All the major river systems in the contiguous United States (CONUS) (and many in the world) are impacted by dams, yet reservoir operations remain difficult to quantify and model due to a lack of data. Reservoir operation data are often inaccessible or distributed across many local operating agencies, making the acquisition and processing of data records quite time-consuming. As a result, large-scale models often rely on simple parameterizations for assumed reservoir operations and have a very limited ability to evaluate how well these approaches match actual historical operations. Here, we use the first national dataset of historical reservoir operations in the CONUS domain, ResOpsUS, to analyze reservoir storage trends and operations in more than 600 major reservoirs across the US. Our results show clear regional differences in reservoir operations. In the eastern US, which is dominated by flood control storage, we see storage peaks in the winter months with sharper decreases in the operational range (i.e., the difference between monthly maximum and minimum storage) in the summer. In the more arid western US where storage is predominantly for irrigation, we find that storage peaks during the spring and summer with increases in the operational range during the summer months. The Lower Colorado region is an outlier because its seasonal storage dynamics more closely mirrored those of flood control basins, yet the region is classified as arid, and most reservoirs have irrigation uses. Consistent with previous studies, we show that average annual reservoir storage has decreased over the past 40 years, although our analyses show a much smaller decrease than previous work. The reservoir operation characterizations presented here can be used directly for development or evaluation of reservoir operations and their derived parameters in large-scale models. We also evaluate how well historical operations match common assumptions that are often applied in large-scale reservoir parameterizations. For example, we find that 100 dams have maximum storage values greater than the reported reservoir capacity from the Global Reservoirs and Dams database (GRanD). Finally, we show that operational ranges have been increasing over time in more arid regions and decreasing in more humid regions, pointing to the need for operating policies which are not solely based on static values.

Geology↗
DOE OSTI2020

Engineered Barrier System R&D and International Collaborations – LANL (FY20): Spent Fuel and Waste Disposition

The United States Department of Energy’s Spent Fuel and Waste Disposition (SFWD) program is investigating the design and safety function of generic nuclear geologic repositories in a variety of geologic settings (salt, argillite, and crystalline rock). Different configurations and loadings of spent nuclear fuel and waste within disposal canisters are also being investigated, some of which have the potential to generate repository temperatures higher than previously considered (i.e., temperatures >100ºC) by foreign and domestic concepts. This report expands on engineered barrier material stability in a high temperature crystalline rock repository through high temperature hydrothermal experiments. Experiments were designed to develop engineered barrier system (EBS) concepts in a hightemperature crystalline environment in 1) bentonite-Grimsel Granodiorite interactions, 2) bentonite-cement reactions, and 3) interaction between waste canister materials and bentonite. Experiment results are applied to understanding long-term repository performance in terms of radionuclide isolation. One hydrothermal experiment was completed in the rocking autoclaves at LANL in FY-20: IEBS-6 (Grimsel Granodiorite + Wyoming bentonite + cured ordinary Portland cement + Grimsel Granodiorite synthetic groundwater, 250ºC/150 bar, 8 weeks). Several other experiments were planned but were delayed due to the COVID-19 pause in laboratory work. In addition, some characterization of the reaction products of experiments conducted in FY-20 was prevented by COVID-19. Mineral phase chemistry was not measured via electron microprobe analyses for IEBS-6. Quantitative X-ray diffraction results from IEBS-6 and HBT-1 were not completed. The missing analyses and discussion of the results will be included in next year’s report. New characterization that was completed includes scanning electron microscopy of reaction products from IEBS-6, quantitative X-ray diffraction results are presented from IEBS-1 through IBES-5, preliminary scanning electron microscope images and chemical analyses for IEBS-6, X-ray diffraction of the clay fraction from all experiments, measurement/imaging of mineral growth on the surface of steel coupons. Major observations pertaining to bentonite stability in a Grimsel Granodiorite environment include the stability of Na-montmorillonite at 250°C, the formation of trace CSH phases, and the formation of bentonite colloids on experiment cooling. The addition of a cured chip of Portland cement to the bentonite-Grimsel system results in slightly higher pH values and the formation of diverse secondary mineral phases that were not observed in the previous experiments (e.g., analcime, garronite, CSH phases). The new characterization efforts related to the interaction of stainless-steel coupons and bentonite clay focused on thickness and mineralogy of phases that formed at the steel surface. In Wyoming bentonite + Grimsel Granodiorite systems, newly formed minerals at the bentonitesteel coupon interface included alteration of the outermost steel edge to Fe,Cr-oxide phases, followed by Fe-rich phyllosilicates (Fe-saponite, chlorite) and interbedded Fe,Cr,Ni-sulfide phases (pentlandite). Hydrothermal experiments were completed to assess uranium-carbonate complexation at conditions relevant to high-temperature disposal. Autoclave solubility experiments were conducted at 150 to 250ºC with a range of carbonate and uranium concentrations. The experiment results were characterized via situ UV-Visible spectroscopy and synchrotron-based in situ XAS techniques. Results show a significant decrease in the stability of uranyl-carbonate complexes at temperatures above 100ºC along with the precipitation of uranium oxides. Further, at T > 200ºC, results show that uranyl-hydroxyl complexes control solubility of uranium instead of the previously predicted uranyl-carbonate species. These results are significant for understanding the mobility of uranium in the EBS, which will likely contain carbonate-rich fluids. International research efforts focused on three main areas: 1) participation in international conferences, 2) building collaborations with foreign repository programs, and 3) the initiation of an experimental program to complement the full-scale HotBENT test at the Grimsel test site. This experiment included Wyoming bentonite + low carbon steel + Grimsel Granodiorite synthetic groundwater and was run at the planned maximum temperature of the HotBENT test (200°C). Complete characterization of reaction products was hindered by disruptions to laboratory work but will be reported in the next FY. The experimental results obtained in FY-20 continue to document the wide-ranging effects of bulk composition and pressure-temperature conditions in the mineralogical and geochemical evolution of a high-temperature repository environment. Concepts developed will be used to inform models of long-term material stability in a generic crystalline rock-hosted repository.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Atmospheric River Response to Arctic Sea Ice Loss in the Polar Amplification Model Intercomparison Project

The atmospheric river (AR) response to Arctic sea ice loss in the Northern hemisphere winter is investigated using simulations from the Polar Amplification Model Intercomparison Project. Results have shown that the midlatitude responses are dominated by dynamic effects. Poleward of around 60°N, the dynamic and thermodynamic effects cancel each other, resulting in relatively small responses. The response uncertainty can be characterized by leading uncertainty modes, with the responses over the Pacific and Atlantic projecting onto the northeastward extension and equatorward shift mode, respectively. In addition, the responses seem to be mean state-dependent: under the same forcing, models with more poleward-located climatological ARs tend to show stronger equatorward shifts over the Atlantic; over the Pacific, models with more westward-located climatological AR core tend to show stronger northeastward extensions. Finally, these relationships highlight the importance of improving the AR climatology representation on reducing the response uncertainty to Arctic sea ice loss.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Subsurface Characterization and Machine Learning Predictions at Brady Hot Springs: Preprint

Subsurface data analysis, reservoir modeling, and machine learning (ML) techniques have been applied to the Brady Hot Springs (BHS) geothermal field in Nevada, USA to further characterize the subsurface and assist with optimizing reservoir management. Hundreds of reservoir simulations have been conducted in TETRAD-G and CMG STARS to explore different injection and production fluid flow rates and allocations and to develop a training data set for ML. This process included simulating the historical injection and production since 1979 and prediction of future performance through 2040. ML networks were created and trained using TensorFlow based on multilayer perceptron (MLP), long short-term memory (LSTM), and convolutional neural network (CNN) architectures. These networks took as input selected flow rates, injection temperatures, and historical field operation data and produced estimates of future production temperatures. This approach was first successfully tested on a simplified single fracture doublet system, followed by the application to the BHS reservoir. Using an initial BHS dataset with 37 simulated scenarios, the trained and validated network predicted the production temperature for 6 production wells with the mean absolute percentage error of less than 8%. In a complementary analysis effort, the principal component analysis applied to 13 BHS geological parameters revealed that vertical fracture permeability shows the strongest correlation with fault density and fault intersection density. A new BHS reservoir model was developed considering the fault intersection density as proxy for permeability. This new reservoir model helps to explore under-exploited zones in the reservoir. A data gathering plan to obtain additional subsurface data was developed; it includes temperature surveying for three idle injection wells, at which the reservoir simulations indicate high bottom-hole temperatures. The collected data assist with calibrating the reservoir model and may lead to converting these wells to producers to access under-exploited zones in the reservoir. Data gathering activities are planned for the first quarter of 2021.

40 EE - Geothermal Technologies Office (EE-4G)↗