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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 OSTI2021

A microfluidic study of transient flow states in permeable media using fluorescent particle image velocimetry

Velocity fields in flow in permeable media are of great importance to many subsurface processes such as geologic storage of CO 2 , oil and gas extraction, and geothermal systems. Steady-state flow is characterized by velocity fields that do not change significantly over time. The flow field transitions to a new steady state once it experiences a disturbance such as a change in flow rate or in pressure gradient. This transition is often assumed to be instantaneous, which justifies the expression of constitutive relations as functions of instantaneous phase saturations. This work examines the evolution of velocity fields in a surrogate quasi-2D permeable medium using a microfluidic device, a microscopy system, and a high-speed camera. Tracer particles are injected into the medium along with DI water. The evolution of the velocity field is examined by tracing these particles in the captured images using the standard high-density particle image velocimetry algorithm founded on cross-correlation. The results suggest that the transition between steady states for an incompressible fluid takes a finite and non-negligible amount of time that is independent of the magnitude of the change in pressure gradient. The existence of transient states and the nature of the response during these states are readily interpreted by the principle of least action where flow gradually establishes an optimal configuration such that energy dissipation is 2 minimized. The findings provide evidence against the applicability of the assumption that flowing phases relax instantaneously to their steady states and, hence, against the accuracy of the classical multiphase extension of Darcy's law.

42 ENGINEERING↗
DOE OSTI2024

Unveiling the Potential of MeshGraphNets for Predicting Subsurface Evolution in Carbon Storage Projects

This is the conference paper accompanying an oral presentation “Unveiling the Potential of MeshGraphNets for Predicting Subsurface Evolution in Carbon Storage Projects” at the 17th International Conference on Greenhouse Gas Control Technologies GHGT-17 held in Calgary, Canada, October 20-24 , 2024. Carbon capture and storage (CCS) technology is critical for mitigating climate change but requires effective subsurface reservoir management to ensure safe containment of injected CO2. Accurate predictions of reservoir pressure and saturation are essential for assessing long-term CCS performance. Traditional numerical simulations, while effective, are computationally intensive, time-consuming, and constrained by data discretization. Previous work has shown the effectiveness of MeshGraphNets (MGN), a graph-based machine learning framework, as an innovative alternative for predicting reservoir behavior. MGN leverages graph neural networks (GNNs) and mesh representations to model complex geological formations, offering superior adaptability across different discretizations and reservoir configurations. Classic MGN implementations utilize an autoregressive technique to predict future behavior based on current predictions, but this technique is hampered by error accumulation over time. To enhance the model accuracy in time-series predictions, this study implemented a multi-step rollout strategy that integrates autoregressive predictions during training to stabilize prediction of saturation over time. Using the Illinois Basin – Decatur Project (IBDP) dataset, comprising 100 simulations of CO2 injection, pressure, and saturation changes, the framework demonstrated its ability to learn spatial dependencies and temporal dynamics. With inputs including permeabilities, porosities, and injection rates, MGN accurately predicted CO2 plume evolution over time, even with limited training data. Moreover, the addition of a multi-step rollout procedure during training improved the ability of MGN to predict stably over time by ~15%. This research positions MGN, enhanced with multi-step rollout capabilities, as a robust and efficient tool for CCS applications. It advances the field by enabling precise, computationally efficient predictions of reservoir behavior, providing a foundation for the broader adoption of machine learning frameworks in CCS and other geoscience domains.

Holcomb, Paul↗
DOE OSTI2022

Examination of Haines Jump in Microfluidic Experiments via Evolution Graphs and Interface Tracking

This work examines a type of rapid pore-filling event in multiphase flow through permeable media that is better known as Haines Jump. While existing microfluidic experiments on Haines Jump mostly seek to maintain quasi-steady states through very low bulk flow rates over long periods of time, this work explores the combined use of a highly structured microscale transport network, high-speed fluorescent microscopy, displacement front segmentation algorithms, and a tracking algorithm to build evolution graphs that track displacement fronts as they evolve through high-speed video recording. The resulting evolution graph allows the segmentation of a high-speed recording in both space and time, potentially facilitating topology-cognitive computation on the transport network. Occurrences of Haines Jump are identified in the microfluidic displacement experiments and their significance in bulk flow rates is qualitatively analyzed. The bulk flow rate has little effect on the significance of Haines Jump during merging and splitting, but large bulk flow rates may obscure small bursts at the narrowest part of the throat.

permeable media↗
DOE OSTI2024

Predicting Fracture Porosity Evolution in Sandstone (Final Report)

To better understand porosity, strength, chemical reactivity, and patterns of fractures, we developed methods using mineral deposits to unravel how fracture growth and diagenesis interact to create and destroy fracture porosity. Quartz and dolomite cement textures and associated fluid inclusion assemblage sequences and thermal histories provided data to infer the duration and rates at which fractures open. We developed and tested a model that accounts for how fracture porosity and rock properties change as a function of thermal exposure and how fracture size and arrangement evolve. Effects of cement deposits on growth were investigated with new geomechanical models and new methods to quantify fracture spatial arrangement. We tested these concepts in a wide range of rock types using outcrop and core-based datasets. We documented opening histories of fractures and fracture arrays in contrasting tectonic and thermal regimes. Our methods set a new standard for fracture characterization and our diagenetic-geomechanical model accurately predicts fluid flow characteristics of fractured rocks based on coupled effects of diagenesis and deformation. Results represent a significant advance in fundamental understanding of fractures in the Earth and have application to improving subsurface engineering operations in a wide range of contexts including geothermal and sequestration applications. The breakthrough of successfully reconstructing the timing and opening rates of parts of single fractures and portions of fracture arrays to document the growth and linkage of fracture arrays was an accomplishment of this grant that is being followed up in our current BES grant DE-SC0022968, ‘Reconstructing and Predicting Fracture Pattern Evolution‘

58 GEOSCIENCES↗
DOE OSTI2021

Role of Mineralogy in Controlling Fracture Formation

The presence of fractures in caprocks can pose increased risks in subsurface energy systems and processes like CO 2 sequestration by introducing high-permeability leakage paths. Fracture apertures and permeability can be altered through mineral dissolution and precipitation reactions, but the reactive evolution of fractures is not well understood. In fractures, minerals that are otherwise inaccessible to reactive fluids can become exposed, resulting in mineral reactions unpredicted by bulk formation data. This work seeks to understand the relationship between mineralogy and fracture formation to enhance our understanding of reactive fracture evolution and CO 2 leakage potential. Here, the mineral compositions of mechanically induced fracture surfaces in samples of the Mancos and Marcellus shales have been quantified and compared to those of the near-fracture matrices using imaging and bulk X-ray diffraction (XRD) data. In the Mancos shale, the concentrations of clay minerals are enhanced along fracture surfaces with respect to the bulk, and the fracture is most likely to form at kaolinite–kaolinite interfaces. Further, evaluation of the mineralogical spatial variability through cross-correlation analysis of the surrounding matrix in images of samples cut perpendicular to the fracture shows that clay is 16.7 times more likely to be present than carbonate minerals near the fracture surface. The high correlation persists roughly 200 μm into the surrounding matrix for the Mancos sample and implies that the fracture formed within a defined clay-rich lithofacies.

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

Fourier-MIONet: Fourier-enhanced multiple-input neural operators for multiphase modeling of geological carbon sequestration

Geologic carbon sequestration (GCS) is a safety-critical technology that aims to reduce the amount of carbon dioxide in the atmosphere, which also places high demands on reliability. Multiphase flow in porous media is essential to understand CO 2 migration and pressure fields in the subsurface associated with GCS. However, numerical simulation for such problems in 4D is computationally challenging and expensive, due to the multiphysics and multiscale nature of the highly nonlinear governing partial differential equations (PDEs). It prevents us from considering multiple subsurface scenarios and conducting real-time optimization. Here, we develop a Fourier-enhanced multiple-input neural operator (Fourier-MIONet) to learn the solution operator of the problem of multiphase flow in porous media. Fourier-MIONet utilizes the recently developed framework of the multiple-input deep neural operators (MIONet) and incorporates the Fourier neural operator (FNO) in the network architecture. Once Fourier-MIONet is trained, it can predict the evolution of saturation and pressure of the multiphase flow under various reservoir conditions, such as permeability and porosity heterogeneity, anisotropy, injection configurations, and multiphase flow properties. Compared to the enhanced FNO (U-FNO), the proposed Fourier-MIONet has 90% fewer unknown parameters, and it can be trained in significantly less time (about 3.5 times faster) with much lower CPU memory (<15%) and GPU memory (<35%) requirements, to achieve similar prediction accuracy. In addition to the lower computational cost, Fourier-MIONet can be trained with only 6 snapshots of time to predict the PDE solutions for 30 years. Furthermore, we observed that Fourier-MIONet can maintain good accuracy when predicting out-of-distribution (OOD) data. The excellent generalizability of Fourier-MIONet is enabled by its adherence to the physical principle that the solution to a PDE is continuous over time. Furthermore, the developed Fourier-MIONet makes it possible to solve the long-time evolution of geological carbon sequestration in a large-scale three-dimensional space accurately and efficiently.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Impact of aquifer properties on the extent and timeline of CO 2 trapping

Abstract Geologic CO 2 sequestration in porous saline aquifers is a promising approach to reducing atmospheric concentrations of CO 2 . Reactive transport simulations provide the opportunity to analyze which factors influence geochemical reactivity in the reservoir, understand those most important for promoting CO 2 trapping, and assess individual sites. Field‐scale aquifer characterization is time and resource intensive such that here, reactive transport simulations are leveraged to enhance understanding of selected aquifer properties including porosity, permeability, depth of storage, and carbonate mineralogy on the overall CO 2 trapping potential to better select sites promoting geochemical reactivity for CO 2 trapping. There are different mechanisms for sequestrating CO 2 . Once injected, CO 2 will dissolve into the brine to create an acidic environment, resulting in the dissolution of pre‐injection formation minerals. Released ions can reprecipitate as secondary minerals. The dissolved CO 2 and mineralized CO 2 are considered as a more secure form of CO 2 trapping in this study compared to the free supercritical CO 2 . Here, a framework leveraging a controlled set of field scale simulations is developed to facilitate rapid, optimized site selection. Simulations vary aquifer properties to understand the impact of each unique property on CO 2 trapping, tracking, and comparing the amount of supercritical, aqueous, and mineralized CO 2 . The rate at which the CO 2 injected into the aquifer is converted to aqueous or mineralized CO 2 is newly defined here as the sequestration efficiency and used to compare simulation results. The reservoir depth and fraction of carbonate minerals in the formation are shown to be more important factors than reservoir porosity and permeability in affecting CO 2 trapping. However, the impact of aquifer properties on the evolution of injected CO 2 depends on the stage of the sequestration project. © 2023 Society of Chemical Industry and John Wiley & Sons, Ltd.

Energy & Fuels↗
DOE OSTI2025

Coupled THM modeling of bentonite heating and hydration in tank tests with a new temperature-dependent water retention model

This study presents a coupled thermo-hydro-mechanical (THM) model for simulating the heating and hydration behavior of bentonite, a buffer material in deep geological repositories (DGRs). The model incorporates a new temperature-dependent soil water retention curve which captures the thermal-induced shift in water retention behavior. It also distinguishes between liquid and gas permeability, modeling intrinsic gas permeability as a function of accessible porosity to improve vapor transport and desaturation predictions. The model was validated against two large-scale tank tests, demonstrating good agreement with measured temperature, relative humidity, and water inflow data. It revealed a complex porosity evolution driven by thermal expansion, vapor movement, vapor condensation, and hydration-induced swelling during heating and hydration processes. The simulation results also suggest that the permeability of the hydration layer plays a critical role in controlling water intake. Clogging of this layer can significantly reduce the volume of water inflow during the hydration phase. Furthermore, while the model effectively captures key THM behavior, further development of the mechanical constitutive law is required to account for possible thermo-elasto-plastic volume changes and microstructural effects. Overall, the model provides a robust tool for evaluating the evolution of bentonite-based barrier material in DGRs.

Guo, Guanlong [Lawrence Berkeley National Laborato↗
DOE OSTI2021

Oxidation and Associated Pore Structure Modification During Experimental Alteration of Granite

Weathering plays a crucial role in a number of environmental processes, and the microstructure and evolution of multi-scale pore space is a critically important factor in the weathering of geological formations. In igneous rocks the infiltration of meteoric water into initially relatively dry material can cause the rock to begin to disaggregate, increasing porosity and surface area, and allowing further disaggregation and weathering to occur. These processes, in turn, allow biota to colonize the rock, further enhancing the weathering rate. In some igneous rocks this may be driven by oxidation of primary minerals. One such mineral, biotite, has been repeatedly mentioned as a cause of cracking during oxidation. However, the scale-dependence of the processes by which this occurs are poorly understood. We cannot, therefore, accurately extrapolate laboratory reaction rates to the field in predictive numerical models. In order to better understand the effects of oxidation and test the hypothesis that fracture and disaggregation are initiated by swelling of oxidizing biotites, we reacted granite cores in a selenic acid-rich aqueous solution at 200°C for up to 438 days. Elevated temperatures and selenic acid were used to provide relatively fast reaction rates and highly oxidizing conditions in sealed reaction vessels. These experiments were analyzed using a combination of imaging, X-ray diffraction, Mössbauer spectroscopy, and small- and ultra-small angle neutron scattering to interrogate porosity and microfracture formation. The experimental results show little observable biotite swelling, but significant transport and growth of iron oxides and/or clays along grain boundaries throughout the sample. Significant increases in porosity were also observed at the sample rim, likely associated with feldspar alteration. Fractures and transport were observed throughout the core, suggesting that stresses due to crystallization pressures caused by the growing iron phases may be the initiating factors in granite weathering, possibly followed by biotite swelling after sufficient permeability is achieved.

Anovitz, Lawrence M.↗
DOE OSTI2020

Crystalline Disposal R&D at LBNL: FY20 Progress Report

Within the Spent Fuel & Waste Science and Technology (SFWST) Program, research work continues further with the goal to better understand long-term performance of disposal systems in three main geologic rock types: clay/shale, salt, and crystalline rock. This report documents LBNL’s research activities related to investigations of crystalline host rock according to the scope of two work packages: SF-20LB01030207 “Crystalline International Collaborations – LBNL,” and SF-20LB01030203 “Crystalline Disposal R&D – LBNL.” These research activities correspond are related to key Features, Events, and Processes (FEPs), ranked in importance from medium to high, as listed in Table 7 of the Used Fuel Disposition Campaign Disposal Research and Development Roadmap (FCR&D-USED-2011-000065 REV0) (Nutt, 2011). Specifically, these research activities address FEP 2.2.01, Excavation Disturbed Zone (EZD). The results of these research activities provide important insights into understanding and predicting flow and transport processes that could occur in low-permeability crystalline rocks, in which fractures might serve as main conduits for fluid flow and radionuclide transport. The evolution of the EDZ during the excavation of the tunnel as well as the evolution of microcrack growth within the EDZ after the emplacement of backfill are critical for predicting the long- term behavior of the EDZ. A number of factors including stress, temperature, water activity, capillary pressure, chemistry, and mineralogy can affect the rock evolution, which require advanced experimental tools to study it.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Mineralogy and reactive fluid chemistry evolution of hydraulically fractured Caney shale of Southern Oklahoma

Here, this study investigates geochemical rock-fluid interactions as a potential cause of rapid loss of permeability and productivity in hydraulically fractured shale reservoirs. It also interrogates the effects of these reactions in transforming depleted shale reservoirs into impermeable carbon storage units. The study employs batch reactor experiments where rock-powder samples are reacted with field fracturing fluid under reservoir temperature (95°C).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Evolution of texture and internal stresses within polycrystalline rock salt using in situ 3D synchrotron computed tomography and 3D X-ray diffraction

Over time rock salt caverns have been extensively used as reliable repositories for hazardous waste such as nuclear waste, oil or compressed gases. Undisturbed rock salt deposits in nature are usually impermeable and have very low porosity. However, rock salt formations under excavation stresses can develop crack networks, which increase their porosities; and in the case of a connected crack network within the media, rock salt may become permeable. Although the relationship between the permeability of rock salt and the applied stresses has been reported in the literature, a microscopic study that investigates the properties influencing this relationship, such as the evolution of texture and internal stresses, has yet to be conducted. This study employs in situ 3D synchrotron micro-computed tomography and 3D X-ray diffraction (3DXRD) on two small-scale polycrystalline rock salt specimens to investigate the evolution of the texture and internal stresses within the specimens. The 3DXRD technique measures the 3D crystal structure and lattice strains within rock salt grains. The specimens were prepared under 1D compression conditions and have shown an initial {111} preferred texture, a dominant {110}$\langle1\bar{1}0\rangle$ slip system and no fully connected crack network. The {111} preferred texture under the unconfined compression experiment became stronger, while the {111}$\langle1\bar{1}0\rangle$ slip system became more prominent. The specimens did not have a fully connected crack network until applied axial stresses reached about 30 MPa, at a point where the impermeability of the material becomes compromised due to the development of multiple major cracks.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Strain-Based Assessment of Shale Caprock during Cyclic Underground Hydrogen Storage

Successful large-scale underground hydrogen storage (UHS) in depleted gas reservoirs depends on the integrity of the overlying caprock to prevent hydrogen loss during cyclic injection and depletion. Prior studies on crushed Marcellus shale, a potential caprock, indicate that cyclic hydrogen injection and depletion induces microstructural changes, increasing porosity and permeability. However, the extent of these changes in intact shale remains unclear. This study presents a strain-based experimental approach to quantify volumetric strain evolution in intact Marcellus shale matrix under unconstrained stress conditions. A quadrant-shaped shale sample without visible fractures underwent eight hydrostatic pore-pressure cycles (injection to 1500 psi and depletion to 500 psi in 250 psi steps). Linear strain gauges measured strain in three orthogonal directions. Results indicate progressive plastic strain accumulation, leading to an ∼12% increase in matrix porosity after eight cycles, with an estimated 19% increase after 30 cycles. This porosity increase follows a logarithmic trend, suggesting a diminishing effect in later cycles. Additionally, permeability and diffusive mass flux are projected to rise by ∼70% over 30 cycles, enhancing hydrogen migration risk. The shale matrix also exhibited mechanical stiffening over successive cycles, limiting large-scale deformation but not preventing porosity enhancement. A new parameter, α, was introduced to characterize shale sensitivity to cyclic loading, aiding UHS caprock assessments. These findings underscore the necessity of incorporating cyclic loading effects in UHS site selection and operational strategies to ensure long-term storage integrity.

08 HYDROGEN↗
DOE OSTI2025

A percolating path to green iron

About 1.9 gigatons of steel is produced every year, emitting 8% (3.6 gigatons) of global CO 2 in the process. More than 50% of the CO 2 emissions come from a single step of steel production, known as ironmaking. Hydrogen- based direct reduction (HyDR) of iron oxide to iron has emerged as an emission-free ironmaking alternative. However, multiple physical and chemical phenomena ranging from nanometers to meters inside HyDR reactors alter the microstructure and pore networks in iron oxide pellets, in ways that resist gaseous transport of H 2 /H 2 O, slow reaction rates, and disrupt continuous reactor operation. Using synchrotron nano X-ray computed tomography and percolation theory, we quantify the evolution of pores in iron oxide pellets and demonstrate how nanoscale pore connectivity influences micro- and macroscale flow properties such as permeability, diffusivity, and tortuosity. Our modeling framework connects disparate scales and offers opportunities to accelerate HyDR.

hydrogen↗
DOE OSTI2021

A Novel Multiphysics Multiscale Multiporosity Shale Gas Transport Model for Geomechanics/Flow Coupling in Steady and Transient States

Summary A novel multiphysics multiscale multiporosity shale gas transport (M3ST) model was developed to investigate shale gas transport in both transient and steady states. The microscale model component contains a kerogen domain and an inorganic matrix domain, and each domain has its own geomechanical and gas transport properties. Permeabilities of various shale cores were measured in the laboratory using a pulse decay permeameter (PDP) with different pore pressure and confining stress combinations. The PDP-measured apparent permeability as a function of pore pressure under two effective stresses was fitted using the microscale M3ST model component based on nonlinear least squares fitting (NLSF), and the fitted model parameters were able to provide accurate model predictions for another effective stress. The parameters and petrophysical properties determined in the steady state were then used in the transient-state, continuum-scale M3ST model component, which performed history matching of the evolutions of the upstream and downstream gas pressures. In addition, a double-exponential empirical model was developed as a powerful alternative to the M3ST model to fit laboratory-measured apparent permeability under various effective stresses and pore pressures. The developed M3ST model and the research findings in this study provided critical insights into the role of the multiphysics mechanisms, including geomechanics, fluid dynamics and transport, and the Klinkenberg effect on shale gas transport across different spatial scales in both steady and transient states.

Engineering↗
DOE OSTI2026

Computer simulation of reaction and transport of core-scale serpentinization of Fe-bearing olivine and evolution of geological hydrogen

We present reactive flow and transport simulations of core-scale serpentinization of forsteritic, Fe-bearing olivine under hydrothermal conditions. The model captures fluid flow, evolving porosity–permeability, and redox-controlled H 2 production in a cylindrical core over 55 days at 245 °C and 37 bar. Key processes include olivine dissolution, precipitation of serpentine and magnetite, and oxidation of Fe2+ to Fe 3+ . Here, results show strong coupling among flow velocity, alteration front propagation, and spatially heterogeneous H 2 generation. Elevated H2 concentrations align with inlet-localized magnetite precipitation, consistent with experiments. Secondary mineral formation reduces porosity and permeability, altering transport pathways. Reactive flow at the fluid–solid interface governs H 2 generation rates and distribution. Dissolved SiO2 promotes serpentine and talc formation by suppressing brucite, while bicarbonate extends reaction duration and moderates surface complexation effects.

Geologic hydrogen↗
DOE OSTI2024

An integrated experimental–modeling approach to identify key processes for carbon mineralization in fractured mafic and ultramafic rocks

Abstract Controlling atmospheric warming requires immediate reduction of carbon dioxide (CO2) emissions, as well as the active removal and sequestration of CO2 from current point sources. One promising proposed strategy to reduce atmospheric CO2 levels is geologic carbon sequestration (GCS), where CO2 is injected into the subsurface and reacts with the formation to precipitate carbonate minerals. Rapid mineralization has recently been reported for field tests in mafic and ultramafic rocks. However, unlike saline aquifers and depleted oil and gas reservoirs historically considered for GCS, these formations can have extremely low porosities and permeabilities, limiting storage volumes and reactive mineral surfaces to the preexisting fracture network. As a result, coupling between geochemical interactions and the fracture network evolution is a critical component of long-term, sustainable carbon storage. In this paper, we summarize recent advances in integrating experimental and modeling approaches to determine the first-order processes for carbon mineralization in a fractured mafic/ultramafic rock system. We observe the critical role of fracture aperture, flow, and surface characteristics in controlling the quantity, identity, and morphology of secondary precipitates and present where the influence of these factors can be reflected in newly developed thermo-hydro-mechanical–chemical models. Our findings provide a roadmap for future work on carbon mineralization, as we present the most important system components and key challenges that we are overcoming to enable GCS in mafic and ultramafic rocks.

58 GEOSCIENCES↗