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At least 1,549 records · Page 86
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Degradation science: Integrating modeling and experiments to predict localized corrosion processes (Annual Progress Report)

Additively manufactured (AM) eutectic high-entropy alloys (EHEAs), such as nano-lamellar AlCoCrFeNi 2.1 , have excellent strength, ductility, and wear resistance even at elevated temperatures, but their corrosion behavior in aggressive acids at different length scales remain poorly understood. This work investigates the corrosion behavior of laser powder bed–fused (L-PBF) AlCoCrFeNi 2.1 as a function of annealing temperatures, probing degradation mechanisms from nanoscopic to macroscopic length scales. The alloy is dual phase consisting of a ductile FCC L1 2 phase and a high-strength BCC B2 phase. Rapid solidification during L-PBF produces a far-from-equilibrium nano-lamellar structure with nearly homogeneous elemental distribution, which tends to evolve upon annealing toward Cr/Co/Fe-enriched FCC and Al/Ni-enriched B2. Three conditions were studied: as-printed, 600 °C/5 h, and 1000 °C/1 h, over which B2 lamellae coarsen, lamellar spacing increases, and elemental segregation becomes more prominent. Microstructure and chemistry were characterized by scanning electron microscopy (SEM) and energy-dispersive spectroscopy (EDS), while in-situ electrochemical atomic force microscopy (EC-AFM) was used to link early (<5 h) local dissolution to microstructure after exposure in sulfuric acid. EC-AFM highlights preferential dissolution of the BCC/B2 phase where the surrounding matrix is Cr-depleted and directly quantifies the dissolution rates within individual phases, tracks the transition from early nano-scale attack to partial repassivation, to correlate height differences with current and impedance responses. To monitor longer-term behavior (up to 96 h), ex-situ AFM, SEM, and confocal imaging were combined with conventional bulk electrochemical tests, bridging nanoscale observations to micro/meso-scale damage morphologies. At the meso-scale, the deepest dissolution channels align with the build-direction lamellae and melt-pool boundaries, indicating that printing directionality guides the propagation of these localized corrosion sites. Annealing modifies corrosion by restructuring BCC/FCC phase fractions, lamellar spacing, and Cr/Al segregation, thereby changing the cathode/anode ratio and passive film stability. The results clarify how as-printed and annealed nano-lamellar architectures differ in their susceptibility to selective dissolution; how elemental segregation competes with residual stresses along the build direction. With these insights, future work will use CALPHAD-guided alloy modification to stabilize higher Cr contents in the B2 phase while retaining a dominant FCC+B2/BCC microstructure, with the goal of designing mechanically robust, corrosion-resistant EHEAs for safety-critical applications to leverage the LLNL’s broader national and global security mission.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Initial Laboratory Measurements Probing Hydrogen Interactions with Eagle Ford Shale and Pyrite: Potential Implications for Subsurface Hydrogen Storage

Hydrogen (H 2 ) has the potential to be a transformative technology as an enabler to a low-carbon future and promoter of renewable energy. When H 2 is injected and stored in the subsurface, it has the potential to interact with the caprock (usually shale) which overlies and seals the storage reservoir. Here, this study examines geochemical reactions or changes in surface morphology to Eagle Ford Shale, a proxy for caprock, upon exposure to H 2 at 50°C and 10.3 MPa. Reactions were also performed with N 2 to provide an experimental control. Scanning Electron Microscopy with Energy Dispersive Spectroscopy (SEM-EDS), Atomic Force Microscopy (AFM), and Optical Photothermal-Infrared (O-PTIR) Spectroscopy were applied to quantify changes on the microscale and nanoscale level. Fluid chemistry changes were monitored with Ion Chromatography (IC) and Inductively Coupled Plasma Mass Spectrometry (ICP-MS). Exposure of Eagle Ford Shale to H 2 gas alone did not result in any alterations to the shale chemically or any changes in the surface morphology. Exposure of Eagle Ford Shale to both H 2 and water as well as N 2 and water resulted in changes to the surface morphology because of gypsum dissolution and reprecipitation, thus indicating that H 2 is not necessary to promote changes. Pure pyrite was the most reactive with H 2 possibly resulting in a reduction to pyrrhotite. These initial studies suggest that the extent of reactions activated by hydrogen with caprock are minor under the temperature and pressure conditions that would represent underground hydrogen storage.

08 HYDROGEN↗
DOE OSTI2021

Fiber optic system for direct detection of CO 2 leakage in carbon storage wells (Abbreviated Final Report)

The feasibility study focused on the development of new fiber for distributed chemical sensing that will allow direct detection of CO2 leakages in the environment. This is particularly important for monitoring well integrity for carbon capture and storage (CSS), which can provide early warning for an incoming well failure and potential CO2 leaking through it. We proposed Raman or IR interrogation within gas-filled Holey Fibers (HoFs) interleaved with Fiber Bragg Grating (FBG) sections, so that the location and concentration of the gases would be provided simultaneously. The methodology would overcome current roadblocks to using fiber optics for CO2 (and other gases) detection in wells with direct in-situ measurements of concentration along with other important parameters such as temperature and pressure. We were able to assess commercially available IR/Raman hollow core fiber and demonstrated detection of CO2 through them in our controlled environment setups at various pressure conditions. We have also established the ability of drilling precisely with fs-lases side holes to enable penetration of CO2 into the hollow core fiber and reduce diffusion rates. Open joint collars were also explored with double functionality: to obtain splice to solid core fiber critical for field deployment and create gas ingress locations. Both diffusion-only and pressurized fiber system have been constructed following COMSOL based semi-hybrid optical /fluidodynamics models. FBGs have been identified and procured and characterized. Along the work we leveraged internal modeling/design, photonics/laser characterization, optical fiber fabrication, and AM lab capabilities to design, develop and test in-house components or assemblies. Our results indicate the potential of HoF for CO2 downhole direct detection.

25 ENERGY STORAGE↗
DOE OSTI2024

Long-Term Performance of Ag/AgCl Reference Electrodes for Corrosion Potential Monitoring in Radioactive Tank Waste at the Hanford Site

This work studied the exposure effects of radioactive tank waste on the long-term performance of single junction Ag/AgCl reference electrodes for corrosion potential monitoring at the Hanford Site. Electrodes from three manufacturers with very different designs were studied using open-circuit potential and electrochemical impedance measurements in radioactive tank waste. Post-test analyses were conducted on some failed electrodes using destructive and nondestructive techniques. The intrusion of the aggressive and radioactive chemicals in tank waste through the porous frit materials was the primary mechanism that led to the clogging of frit, physical and chemical degradation of AgCl bonded to Ag wire, and alteration of the internal electrolyte. Radiolytic chemical species such as H2O2 and HNO3 may have also induced the degradation of the Ag wire. The extent of electrode degradation and failure probability highly depended on the electrode design and environmental conditions. Chemicals in tank waste had stronger effects than radiation on the long-term performance of the Ag/AgCl reference electrodes.

Materials Science↗
DOE OSTI2020

The Impact of Behind-the-Meter Heterogeneous Distributed Energy Resources on Distribution Grids: Preprint

The increasing integration of distributed energy resources (DERs) on the electric grid brings new challenges and opportunities for utility grid operations. With the rapid deployment of DERs, there is emerging interest in integrating these controllable devices with utility operations at all levels for monitoring and management. Different types of DERs such as Photovoltaics (PV), energy storage, electric vehicles (EVs), etc. have varying effects on the grid based on how and where they are deployed. Again, the DER deployment and its impact are network-dependent, while the traditional electric grids were not designed to host DERs. To understand the challenges with increasing behind-the-meter (BTM) DERs and to identify the needs in deploying advanced controls, a comprehensive grid impact study is indispensable. This paper investigates the impacts of integrating a mix of DERs in the utility distribution network in Colorado, U.S. Firstly, BTM DERs at the residential scale including distributed PV; battery energy storage systems (BESS); heating, ventilation, and air-conditioning (HVAC) load; electric water heater (EWH) load; and EVs are modeled. The impacts of integrating these resources on the distribution network are evaluated by conducting time-series simulations for different scenarios considering different days to capture the worst-case conditions. Monte Carlo simulations are conducted to generate the realistic EV charging profile. The voltage issues, substation transformer loadings, and critical nodes in the network are identified with the incorporation of uncoordinated EV charging loads and other DER in the network. This analysis helps visualize the DER impact on the grid, identify the challenges, and provides an insight into the new distribution management and control needs to enable reliable and resilient distribution grid operations. Additionally, further analysis is performed to estimate the daily residential electricity cost with the inclusion of DERs under time-of-use tariffs. The result shows the daily residential electricity cost reduced by 20:7% on average with DERs compared to the case without DERs.

27 ARPA - Advanced Research Projects Agency-Energy↗
DOE OSTI2022

Rapid Refreezing of a Marginal Ice Zone Across a Seafloor Distributed Acoustic Sensor

Abstract Seismic instruments such as broadband seismometers and distributed acoustic sensors (DAS) have a demonstrated potential for wide‐scale and continuous in situ monitoring of near‐surface environmental and anthropogenic processes. DAS is attractive for development as a multi‐geophysical observatory due to the prevalence of existing fiber infrastructure in regions with environmental, cultural, or strategic significance. Here we present results from a multi‐seasonal acquisition of DAS data on a seafloor cable in the Beaufort Sea, Alaska. During a November 2021 data collect we captured the rapid transition of ambient noise characteristics from an “ice‐free” state to an “ice‐bound” state. A sea ice formation front was plainly visible on the DAS record and was observed to propagate 20 km seaward over a period of 8 hr. Satellite‐based instrumentation were unable to record this event due to cloud cover, low light conditions, and orbital frequency.

Baker, Michael G.↗
DOE OSTI2024

Ultrafast Annealing Improves SNR and Long-Term Stability of a Highly Multiplexed Line-by-Line FBG Array Inscribed by Femtosecond Laser in a Coreless Fiber for Extreme-Temperature Applications

This study reports the fabrication of a fourth-order line-by-line fiber Bragg grating (FBG) array using femtosecond laser inscription within a highly multimode coreless optical fiber, with a particular focus on achieving substantial multiplexing capabilities. An ultrafast annealing procedure is employed, resulting in an impressive enhancement of the FBG sensor’s fringe visibility by approximately 13 dB, signifying a notable improvement of approximately ~4 dB. This substantial enhancement contributes to the long-term stability and performance of the multiplexed FBG array in extreme-temperature conditions. The systematic fabrication approach employed for the multiplexed FBG array guarantees a high signal-to-noise ratio (SNR) for each individual FBG within the array. This FBG array is intended for extreme-temperature applications, addressing limitations associated with traditional FBGs based on doped optical fibers, including SNR degradation and temperature-induced fringe drift. Testing at temperatures up to 1120 °C demonstrates the FBG array’s stability without fluctuations in readings. Furthermore, it endures seven heat cycles, spanning from 500 °C to 1120 °C, over 60 h, exhibiting outstanding thermal stability. Furthermore, this highly multiplexed FBG array with an ultrafast annealing approach holds promise for extreme-temperature environments, such as steelmaking, where precise and reliable distributed temperature monitoring is imperative.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Spatio-temporal and weather characterization of road loads of electrified heavy-duty commercial vehicles across U.S. interstate roads

Adoption of battery electric vehicles (BEV) in heavy duty (HD) commercial freight transportation is difficult due to technological and economic hurdles. Beyond safety and compliance, fleet and operational logistics necessitate both high uptime and parity with diesel system productivity/Total Cost of Ownership to support widespread deployment of electric powertrains. However, relatively high energy storage costs, along with the higher weight of BEV systems, limit the viability of HD commercial freight transport to shorter-range applications where smaller batteries will serve for mission energy requirements (single operational shift). Knowing the energy consumption and operating variations of these commercial vehicle systems is crucial for effectively sizing the energy storage systems. This paper is the first in a series of studies to understand the regional specific operating design domain variations of commercial Class 8 HD trucks and the associated impact to their energy requirements. In particular, the local weather conditions are shown to influence the total vehicle energy usage. Further, the impact of temperature, pressure, and humidity changes are shown to impact the local air density. This is needed to calculate aerodynamic drag on vehicles and has been found to play a significant role in the overall performance of a vehicle. Although the methodology of calculating air density varies only slightly throughout the literature, the application to transportation has still been limited. This study provides a means by which air density can be estimated for the contiguous U.S. using the NOAA MADIS dataset. These air density estimates were then used to determine vehicle performance in varying regions of the country to highlight the importance of consideration of weather variables when monitoring vehicle performance, but also to provide recommendations based on these locales upon fleet conversion to BEVs.

Moore, Amy↗
DOE OSTI2021

The dynamic evolution of swelling in nickel concentrated solid solution alloys through in situ property monitoring

Defects and microstructural features spanning the atomic level to the microscale play deterministic roles in the expressed properties of materials. Yet studies of material evolution in response to environmental stimuli most often correlate resulting performance with one dominant microstructural feature only. In this work, the dynamic evolution of swelling in a series of Ni-based concentrated solid solution alloys under high-temperature irradiation exposure is observed using continuous, in situ measurements of thermoelastic properties in bulk specimens. Unlike traditional evaluation techniques which account only for volumetric porosity identified using electron microscopy, direct property evaluation provides an integrated response across all defect length scales. In particular, the evolution in elastic properties during swelling is found to depend significantly on the entire size spectrum of defects, from the nano- to meso-scales, some of which are not resolvable in imaging. Observed changes in thermal transport properties depend sensitively on the partitioning of electronic and lattice thermal conductivity. This emerging class of in situ experiments, which directly measure integrated performance in relevant conditions, provides unique insight into material dynamics otherwise unavailable using traditional methods.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A perfused multi-well bioreactor platform to assess tumor organoid response to a chemotherapeutic gradient

There is an urgent need to develop new therapies for colorectal cancer that has metastasized to the liver and, more fundamentally, to develop improved preclinical platforms of colorectal cancer liver metastases (CRCLM) to screen therapies for efficacy. To this end, we developed a multi-well perfusable bioreactor capable of monitoring CRCLM patient-derived organoid response to a chemotherapeutic gradient. CRCLM patient-derived organoids were cultured in the multi-well bioreactor for 7 days and the subsequently established gradient in 5-fluorouracil (5-FU) concentration resulted in a lower IC 50 in the region near the perfusion channel versus the region far from the channel. We compared behaviour of organoids in this platform to two commonly used PDO culture models: organoids in media and organoids in a static (no perfusion) hydrogel. The bioreactor IC 50 values were significantly higher than IC 50 values for organoids cultured in media whereas only the IC 50 for organoids far from the channel were significantly different than organoids cultured in the static hydrogel condition. Using finite element simulations, we showed that the total dose delivered, calculated using area under the curve (AUC) was similar between platforms, however normalized viability was lower for the organoid in media condition than in the static gel and bioreactor. Our results highlight the utility of our multi-well bioreactor for studying organoid response to chemical gradients and demonstrate that comparing drug response across these different platforms is nontrivial.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Source Analysis of Ozone Pollution in Liaoyuan City’s Atmosphere Based on Machine Learning Models and HYSPLIT Clustering Method

Firstly, this study investigates the spatiotemporal distribution characteristics of the ozone (O 3 ) pollution in Liaoyuan City using monitoring data from 2015 to 2024. Then, three machine learning models (ML)—random forest (RF), support vector machine (SVM), and artificial neural network (ANN)—are employed to quantify the influence of meteorological and non-meteorological factors on O 3 concentrations. Finally, the HYSPLIT clustering method and CMAQ model are utilized to analyze inter-regional transport characteristics, identifying the causes of O 3 pollution. The results indicate that O 3 pollution in Liaoyuan exhibits a distinct seasonal pattern, with the highest concentrations found in spring and summer, peaking in the afternoon. Among the three ML models, the random forest model demonstrates the best predictive performance (R 2 = 0.9043). Feature importance identifies NO 2 as the primary driving factor, followed by meteorological conditions in the second quarter and land surface characteristics. Furthermore, regional transport significantly contributes to O 3 pollution, with approximately 80% of air mass trajectories in heavily polluted episodes originating from adjacent industrial areas and the sea. The combined effects of transboundary precursors and O 3 transport with local emissions and meteorological conditions further increase the O 3 pollution level. This study highlights the need to strengthen coordinated NO X and VOCs emission reductions and enhance regional joint prevention and control strategies in China.

HYSPLIT clustering↗
DOE OSTI2026

Design and Commissioning of a Deuterium-Tritium Gas Delivery System for Muon Catalyzed Fusion in a Diamond Anvil Cell

We report the design, commissioning, and operation of deuterium-deuterium (DD) and deuterium-tritium (DT) gas delivery systems developed to load a diamond anvil cell (DAC) beam target for muon-catalyzed fusion (muCF). The DAC approach enables DT fuel to be compressed to GPa pressures at more than twice the liquid density and heated from cryogenic temperatures through 500 K, opening access to a substantially expanded parameter range for muCF kinetics and yield measurements. In this approach, DT is cryo-condensed to a liquid in a minichamber and then compressed in the DAC using a helium-driven pneumatic membrane, achieving high pressures in a millimeter-scale DT sample volume. A DD gas delivery system was designed and used to validate the experimental apparatus, measure the gas quantities needed for filling, develop operational experience, and collect kinetics and yield data with DD targets. The DT gas delivery system adds tritium-specific capabilities for inventory minimization, secondary containment, and activity monitoring. The DT system integrates depleted uranium storage beds and a liquid helium cryogenic condenser used for pressure building and cryopumping. High-purity delivery is provided by a rapid-response palladium permeator. The system is housed in a helium-atmosphere glovebox held at negative pressure with continuous cleanup. We present the process and instrumentation design, a failure modes and effects analysis (FMEA), and data from the experiment's in situ Raman spectrometer, which provides direct confirmation of target loading and composition through the optically clear diamond anvils. The 2024 and 2025 DT campaigns achieved repeatable target fills and operation with no measurable tritium releases to the stack, demonstrating safe, high-purity DT loading at novel density-temperature conditions for muCF studies.

Koukina, Elena [Acceleron Fusion]↗
DOE OSTI2022

E ‐selective Semi‐hydrogenation of Alkynes under Mild Conditions by a Diruthenium Hydride Complex

Abstract The synthesis, characterization and catalytic activity of a new class of diruthenium hydrido carbonyl complexes bound to the t Bu PNNP expanded pincer ligand is described. Reacting t Bu PNNP with two equiv of RuHCl(PPh 3 ) 3 (CO) at 140 °C produces an insoluble air‐stable complex, which was structurally characterized as [Ru 2 ( t Bu PNNP)H(μ‐H)Cl(μ‐Cl)(CO) 2 ] ( 1 ) using solid‐state NMR, IR and X‐ray absorption spectroscopies and follow‐up reactivity. A reaction with KO t Bu results in deprotonation of a methylene linker to produce [Ru 2 ( t Bu PNNP * )H(μ‐H)(μ‐O t Bu)(CO) 2 ] ( 3 ) featuring a partially dearomatized naphthyridine core. This enables metal‐ligand cooperative activation of H 2 analogous to the mononuclear analogue, [Ru( t Bu PNP*)H(CO)]. In contrast to the mononuclear system, the bimetallic analogue 3 catalyzes the E ‐selective semi‐hydrogenation of alkynes at ambient temperature and atmospheric H 2 pressure with good functional group tolerance. Monitoring the semi‐hydrogenation of diphenylacetylene by 1 H NMR spectroscopy shows the intermediacy of Z ‐stilbene, which is subsequently isomerized to the E ‐isomer. Initial findings into the mode of action of this system are provided, including the spectroscopic characterization of a polyhydride intermediate and the isolation of a deactivated species with a partially hydrogenated naphthyridine backbone.

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

Phase Composition and Phase Transformation of Additively Manufactured Nickel Alloy 718 AM Bench Artifacts

Additive manufacturing (AM) technologies offer unprecedented design flexibility but are limited by a lack of understanding of the material microstructure formed under their extreme and transient processing conditions and its subsequent transformation during post-build processing. As part of the 2022 AM Bench Challenge, sponsored by the National Institute of Standards and Technology, this study focuses on the phase composition and phase evolution of AM nickel alloy 718, a nickel-based superalloy, to provide benchmark data essential for the validation of computational models for microstructural predictions. Here, we employed high-energy synchrotron X-ray diffraction, in situ synchrotron X-ray scattering, as well as high-resolution transmission electron microscopy for our analyses. The study uncovers critical aspects of the microstructure in its as-built state, its transformation during homogenization, and its phase evolution during subsequent aging heat treatment. Specifically, we identified secondary phases, monitored the dissolution and coarsening of microstructural elements, and observed the formation and stability of γ ’ and γ ” phases. The results provide the rigorous benchmark data required to understand the atomic and microstructural transformations of AM nickel alloy 718, thereby enhancing the reliability and applicability of AM models for predicting phase evolution and mechanical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Uncovering the Role of Hole Traps in Promoting Hole Transfer from Multiexcitonic Quantum Dots to Molecular Acceptors

The understanding of electronic dynamics in multiexcitonic quantum dots (QDs) is important for designing efficient systems useful in high power scenarios, such as solar concentrators and multielectron charge transfer. The multiple charge carriers within a QD can undergo undesired Auger recombination events, which rapidly annihilate carriers on picosecond time scales and generate heat from absorbed photons instead of useful work. Compared to the transfer of multiple electrons, the transfer of multiple holes has proven to be more difficult due to slower hole transfer rates. To probe the competition between Auger recombination and hole transfer in CdSe, CdS, and CdSe/CdS QDs of varying sizes, we synthesized a phenothiazine derivative with optimized functionalities for binding to QDs as a hole accepting ligand and for spectroscopic observation of hole transfer. Transient absorption spectroscopy was used to monitor the photoinduced absorption features from both trapped holes and oxidized ligands under excitation fluences where the averaged initial number of excitons in a QD ranged from ~1 to 19. We observed fluence-dependent hole transfer kinetics that last around 100 ps longer than the predicted Auger recombination lifetimes, and the transfer of up to 3 holes per QD. Theoretical modeling of the kinetics suggests that binding of hole acceptors introduces trapping states significantly different from those in native QDs passivated with oleate ligands. Holes in these modified trap states have prolonged lifetimes, which promotes the hole transfer efficiency. These results highlight the beneficial role of hole-trapping states in devising hole transfer pathways in QD-based systems under multiexcitonic conditions.

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

Near-Field Passive Wireless Sensor for High-Temperature Metal Corrosion Monitoring

This work focuses on the fabrication and evaluation of a passive wireless sensor for the monitoring of the temperature and corrosion of a metal material at high temperatures. An inductor–capacitor (LC) resonator sensor was fabricated through the screen printing of Ag-based inks on dense polycrystalline Al 2 O 3 substrates. The LC design was modeled using the ANSYS HFSS modeling package, with the LC passive wireless sensors operating at frequencies from 70 to 100 MHz. The wireless response of the LC was interrogated and received by a radio frequency signal generator and spectrum analyzer at temperatures from 50 to 800 °C in real time. The corrosion kinetics of the Cu 110 was characterized through thermogravimetric (TGA) analysis and microscopy images, and the oxide thickness growth was then correlated to the wireless sensor signal under isothermal conditions at 800 °C. The results showed that the wireless signal was consistent with the corrosion kinetics and temperature, indicating that these two characteristics can be further deconvoluted in the future. In addition, the sensor also showed a magnitude- and frequency-dependent response to crack/spallation events in the oxide corrosion layer, permitting the in situ wireless identification of these catastrophic events on the metal surface at high temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Heat Generation Concerns Associated with Extreme Fast Charging

Present-day thermal management systems for battery electric vehicles are inadequate in limiting the maximum temperature rise of the battery during extreme fast charging. Incorrect thermal management designs for extreme fast charging conditions could result in cells reaching abuse temperatures and potentially sending the cells into thermal runaway. Furthermore, the cell and module design needs to be improved to meet the lifetime expectations of the consumer. Each of these aspects is explored and addressed as well as outlining where the heat is generated in a cell, the efficiencies of power and energy cells, and how to potentially measure the internal temperatures of a battery. Thermal management is not a limiting condition with regards to extreme fast charging, but many factors need to be addressed especially for future high specific energy density cells to meet U.S. Department of Energy cost and volume goals.

ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Deep learning model for fast, science-based forecasting of fluid migration along faults in geologic carbon storage scenarios

Effective long-term geologic storage depends on robust site selection and credible, science-based forecasting of subsurface behavior to ensure storage integrity. For this work, we develop a deep learning–based reduced-order model (ROM) to quantify potential carbon dioxide (CO₂) and brine migration through geological faults. The ROM combines a Transformer model for binary classification and a Stacked Ensemble for regression, trained on a comprehensive dataset generated from 1400 physics-based reservoir simulations. Key geologic and operational parameters—including fault geometry, reservoir structure, and injection conditions—were systematically varied to capture a wide range of fluid migration scenarios. The ROM accurately predicts the onset of migration, cumulative migration volumes of both CO₂ and brine, and associated migration rates, as compared to an independent set of validation simulations, while significantly reducing computational cost compared to traditional simulation methods. Model performance was evaluated across diverse fault configurations, revealing that shallow reservoir geometry and fault angle are among the most influential factors governing migration behavior. Sensitivity analysis using SHapley Additive exPlanations (SHAP) provided interpretability, revealing distinct patterns in how geological and operational features drive transient versus cumulative migration outcomes. The ROM’s ability to rapidly simulate fault migration scenarios enables efficient sensitivity analyses, scenario evaluations, and decision support for site selection and monitoring design. This approach enhances the safety, scalability, and long-term operational performance of geologic carbon storage (GCS) systems by providing a robust, interpretable tool for predicting subsurface fluid migration and assessing fault-related migration potential.

42 ENGINEERING↗