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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 145 records · Page 8

Pore-Scale Study on the Positive Feedback Between Stress and Porosity Caused by Pressure Solution in Porous Media

Pressure solution is an important process in the evolution of sedimentary rocks, which provide storage space for most of our petroleum resources. It directly influences the generation, migration, and storage of petroleum fluids in subsurface sedimentary rocks. Here, in this paper, we develop a pore-scale, mechanochemical model to demonstrate a possible positive feedback between the local porosity and pore surface stress, in which a higher local porosity causes a higher local pore surface stress, thus enhancing pressure solution and consequently further increasing the local porosity. Pore surface stress represents stress on a solid grain adjacent to a pore. Specifically, the pore-scale, mechanochemical model directly simulates the stress distribution over solid and pore surfaces using a finite element model. The dissolution of solids at the solid-pore interfaces under a far-from-equilibrium condition is simulated using a first-order kinetics model that accounts for the local stress distribution. The updated pore geometry, caused by pore surface dissolution, is then used in the stress simulation in the next numerical iteration. Two types of porous media, the Oriskany sandstone and an artificial porous medium with spherical pores, were tested in the mechanochemical simulation. The positive stress-porosity feedback during pressure solution was observed in both samples. In addition, the model quantitatively illustrated the distribution of local mineral dissolution rates on all pore surfaces, as well as its relation to the effective mineral dissolution rate of the entire sample. Based on the comparison between the two porous media, the local mineral dissolution was regulated by pore space distribution, geometry, and coalescence during pressure solution. This work is the first that uses direct, pore-scale numerical simulation to demonstrate the positive stress-porosity feedback during pressure solution, which has the potential to advance the understanding of the mechanical-chemical (MC) coupling in many geological processes that are relevant to subsurface energy systems, such as the recovery of petroleum hydrocarbons and geothermal energy.

CT scanning↗

The role of surface forces in environment-enhanced cracking of brittle solids

Fracture initiation and propagation in brittle materials is promoted in surface-reactive (sorptive) environments, a phenomenon known as subcritical crack growth (SCG). Laboratory measured crack-propagation velocity vs. stress intensity factor relationships typically exhibit highly nonlinear, multi-stage characteristics that are sensitive to environmental factors such as adsorbate concentration and temperature. For practical purposes, empirical relationships (e.g., a power law) have been used to describe this complex phenomenon. However, how the overall SCG behavior emerges from the underlying fundamental processes near the crack tip, such as the interaction of the crack surfaces separated by only a few nanometers and mass transport within the nano-confined space, is still not well understood. This paper develops a mechanistic, surface-force-based fracture theory (SFFT) which integrates surface force models, fluid transport models, and linear elastic fracture mechanics to quantitatively explain the multi-stage characteristics of SCG in brittle solids. A numerical model is developed based on SFFT and solved through an implicit partitioned scheme for efficiency and modularity. The results are validated by Wiederhorn's data on crack propagation in soda-lime glasses at a wide range of relative humidity levels. We show that, for the first time, the entire range of an SCG curve can be captured by a single physics-based model. The predicted SCG curves reveal that the development of repulsive disjoining pressure behind the crack tip can be responsible for the reduced apparent fracture toughness in a sorptive environment. In conclusion, the shape of the SCG curve, and its changes with respect to the environment, is found to critically depend on the assumed transport models.

36 MATERIALS SCIENCE↗

Modeling of Chemical Slurry Rheology in DWPF Sludge Batch (SB) 10 Simulants

The Defense Waste Processing Facility (DWPF) treats high-activity radionuclides from sludge through a process called vitrification. This process converts radioactive liquid waste currently stored in tank farms into a solid glass form that is suitable for long-term storage and disposal. Due to the complexities involved in vitrifying this waste within each operation of the Chemical Processing Cell (CPC), waste rheology is studied to characterize the fluid-mechanical properties as it passes through the CPC and into the Melter. To better understand the waste and validate flow behavior, slurry rheology of simulants that represents the waste was studied at various acid stoichiometry percentages and solids concentrations to determine the simulant’s yield stress and viscosity. This research work has been supported by the DOE-FIU Science & Technology Workforce Development Initiative, an innovative program developed by the U.S. Department of Energy’s Office of Environmental Management (DOE-EM) and Florida International University’s Applied Research Center (FIU-ARC). During the spring of 2022, a DOE Fellow intern, Brendon Cintas, spent 10 weeks doing a summer internship at Savannah River National Laboratory (SRS) under the supervision and guidance of Dan Lambert, Chemical Flowsheet Development. The intern’s project was initiated on June 6, 2022, and continued through August 11, 2022 with the objective of assisting scientists at SRNL’s Rheology and Grout Laboratory at Aiken Country Technology Lab (ACTL) better understand the sludge composition on the rheology of a simulant slurry using a HAAKE RheoStress 6000 rheometer and extrapolate the results to the real-waste data.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Nanoengineered Shape-Memory Hemostat

Uncontrolled hemorrhage is the predominant cause of preventable combat deaths. Various biomaterials serve as hemostatic agents due to their procoagulant or absorptive activity. However, these biomaterials often lack expansion capabilities, which severely limits use in noncompressible wounds. This study combines a hemostatic nanocomposite with a shape-memory polymer foam to design a composite material with both hemostatic and physical expansion properties. This composite is fabricated in two formulations: a foam externally coated in a highly concentrated nanocomposite (“coated composite”) and a foam containing a diluted nanocomposite infused throughout its pores (“infused composite”). Both formulations retain the shape-memory foam's expansion property. Further, the coated composite shows improved fluid uptake (>2-fold) versus infused composites or foam. The nanocomposite component dissociates from the foam under degradative conditions, with the foam remaining stable for 30 days. Hemostatic studies illustrate that the coated composite reduces the clotting time by ≈20%. Alternatively, the infused composite improves clotting over a larger distance (up to ≈2× distance from the composite). These results signify a modular hemostatic ability: the coated composite reduces clotting and improves fluid uptake, while the infused composite achieves diffuse clotting and maintains mechanical properties. Thus, these materials pose a strong potential for use in noncompressible wounds.

60 APPLIED LIFE SCIENCES↗

Hydromechanical Modeling of Fault Rupture in Geologic CO 2 Sequestration: A Comparison of Two Failure Criteria

Abstract The large‐scale implementation of geological carbon sequestration has raised concerns about potential fault activation and induced seismicity, which could compromise storage integrity and pose seismic risks. We theoretically compared two failure criteria, Mohr‐Coulomb (MC) and Modified Cam‐Clay criteria (MCC), to assess fault rupture during CO 2 storage. Both criteria characterize fault behavior in a specific stress regime but differ in reducing the complexity of fault rupture to a few key mechanisms. Using a coupled hydromechanical model, we demonstrate that the choice of a failure criterion and the physics of fault weakening associated with these criteria strongly condition fault response to a given fluid injection. MC mainly relates rupture to friction, while MCC relates rupture to fault poro‐plasticity. Our findings highlight that the selection of a failure criterion, being inherently subjective, can significantly alter the predicted fault behavior during CO 2 storage, thereby impacting the reliability of geomechanical risk assessments.

Cao, M. [Energy Geosciences Division Lawrence Berk↗

Utah FORGE 5-2557: Trixial Shear and Wellbore Breakout Tests Report and Data

Included are a report and data from triaxial shear tests on simulated Sierra White fault gouge and a borehole stimulation experiment. This serves as a progress report for the Role of Fluid and Temperature in Fracture Mechanics and Coupled Thermo-Hydro-Mechanical-Chemical (THMC) Processes for Enhanced Geothermal Systems project by Purdue University (Utah FORGE R&D project 5-2557). Tests were done with Sierra White granite (SWG) to investigate slip mechanisms and to evaluate the fracture initiation and propagation from a geothermal borehole. Raw data is provided alongside a report on all experimental testing protocols, experimental design, and results.

15 GEOTHERMAL ENERGY↗

3D probabilistic fracture mechanics / computational fluid dynamics simulation of a reactor pressure vessel under transient conditions

Reactor pressure vessels (RPVs) are safety-critical light-water-reactor components that, under irradiation, experience long-term material degradation in the form of embrittlement. This can increase their susceptibility to fracture under thermal-shock conditions, which could occur during off-normal transients such as loss-of-coolant accidents (LOCAs). During a LOCA, the most severe conditions for the RPV occur when emergency core cooling water is injected through the cold legs into the water-and-steam-filled RPV. The rapid cooling of the downcomer and internal RPV surface causes decreased temperature and elevated thermally driven tensile stresses in the RPV wall. This, combined with long-term material embrittlement, may cause fracture initiation at pre-existing flaws, challenging the integrity of the RPV. Assessing RPV integrity during transients with a large spatial variation in the coolant temperature requires a modeling approach that considers the effects of spatially varying coolant temperature on the fracture probability of a population of flaws distributed throughout the RPV, accounting for spatially varying embrittlement. Here, the present study addresses this need by demonstrating first-of-its-kind coupling of a high-fidelity 3D computational fluid dynamics code with 3D probabilistic fracture mechanics This was accomplished using representative models of a pressurized-water reactor subjected to small- and medium-break LOCA conditions, both of which can result in large spatial temperature variations. While the observed impact of accounting for 3D effects was minimal under the small-break LOCA this study indicates a significant increase in the probability of fracture initiation under the medium-break LOCA when 3D effects are considered, relative to a spatially uniform cooling scenario.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

Frictional Behavior Downdip Along the Subduction Megathrust: Insights From Laboratory Experiments on Exhumed Samples at In Situ Conditions

Subduction megathrusts exhibit a spectrum of slip modes, including catastrophic earthquakes. Although the mechanical and frictional properties of materials sampled from subduction zones have been studied extensively, few datasets have been collected for compositions and at pressure and temperature conditions representative of those in situ. The Nankai subduction zone in southwest Japan is a well-studied margin, and abundant data provide an opportunity to advance our understanding of fault and earthquake physics. Here, we use samples exhumed in the Shimanto and Sanbagawa Belts on Shikoku Island of southwest Japan that represent analogs for materials along the present-day megathrust at depths of ~5–>25 km, and we shear these at their peak in situ pressure-temperature (P-T) conditions. Effective normal stresses range from 28 to 192 MPa, and temperatures from 105°C to 470°C. We used pore fluid pressures of 45–240 MPa, corresponding to fluid overpressure ratios λ of 0.65 and 0.90. Slip velocities of 0.1–100 μm/s were used, in order to focus on the nucleation of instability and earthquakes. We found predominantly velocity-strengthening (inherently stable) behavior under all conditions for λ = 0.65. For λ = 0.90, velocity-weakening behavior was observed at 350°C, with velocity-strengthening behavior at lower and higher temperatures. The rate/state frictional stability parameter (a-b) increases with slip velocity at temperatures up to ~200°C and remains constant or decreases with slip velocity at higher temperatures. Altogether, our results demonstrate the potentially important roles of both temperature and slip velocity in controlling the distribution of stress and frictional rheology along subduction thrusts.

58 GEOSCIENCES↗

Bifurcation of equilibrium positions for ellipsoidal particles in inertial shear flows between two walls

We conducted a systematic numerical investigation of spherical, prolate and oblate particles in an inertial shear flow between two parallel walls, using smoothed particle hydrodynamics (SPH). It was previously shown that above a critical Reynolds number, spherical particles experience a supercritical pitchfork bifurcation of the equilibrium position in shear flow between two parallel walls, namely that the central equilibrium position becomes unstable, leading to the emergence of two new off-centre stable positions (Foxet al.,J. Fluid Mech., vol. 915, 2021). This phenomenon was unexpected given the symmetry of the system. In addition to confirming this finding, we found, surprisingly, that ellipsoidal particles can also return to the centre position from the off-centre positions when the particle Reynolds number is further increased, while spherical particles become unstable under this increased Reynolds number. By utilizing both SPH and the finite element method for flow visualization, we explained the underlining mechanism of this reverse of bifurcation by altered streamwise vorticity and symmetry breaking of pressure. Furthermore, we expanded our investigation to include asymmetric particles, a novel aspect that had not been previously modelled, and we observed similar trends in particle dynamics for both symmetric and asymmetric ellipsoidal particles. While further validation through laboratory experiments is necessary, our research paves the road for development of new focusing and separation methods for shaped particles.

Mechanics↗

WHOLESCALE - Water & Hole Observations Leverage Effective Stress Calculations And Lessen Expenses (Final Technical Report 2020 - 2024)

The WHOLESCALE acronym stands for Water & Hole Observations Leverage Effective Stress Calculations and Lessen Expenses. The goal of the WHOLESCALE project is to simulate the spatial distribution and temporal evolution of stress in the geothermal system at San Emidio in Nevada, United States. To reach this goal, the WHOLESCALE team has developed a methodology to incorporate and interpret data from four methods of measurement into a multi-physics model that couples thermal, hydrological, and mechanical (T H-M) processes. The WHOLESCALE team has applied this methodology at the San Emidio geothermal field, located ~100 km north of Reno, Nevada in the northwestern Basin and Range province. The WHOLESCALE team includes 30 individuals working at two universities, two national laboratories, and one industry partner. Two master-degree students and five post-doctoral researchers have gained professional experience and earned partial financial support via the WHOLESCALE project. The WHOLESCALE team has taken advantage of the perturbations created by changes in pumping operations during planned shutdowns in 2016, 2021, and 2022 to infer temporal changes in the state of stress in the geothermal system at San Emidio, Nevada, U.S. The WHOLESCALE results support the working hypothesis that increasing pore-fluid pressure reduces the effective normal stress acting across fault zones. During normal operations, pumping in deep production wells decreases fluid pressures and thus increases the effective normal stresses on faults, reducing microseismicity. During planned shutdowns, the cessation of production increases pore-fluid pressure and reduces effective normal stress. The WHOLESCALE products generated during the 4-year period between 2020 and 2024 include: three articles published in the open-access, peer-reviewed scientific literature, two master’s theses, 20 presentations or papers at scientific conferences, and 17 data sets available on public repositories. The WHOLESCALE project has been completed in two phases that included three performance periods separated by two Go/No-go Stage Gate Reviews. Tasks were classified by data type (i.e., Geologic Structure, Borehole, Geodesy, Hydrology, Seismology, and Modeling). The first phase of the project started July 31, 2020 and included ongoing project coordination (Task 1), a project kickoff (Task 2), analysis of existing data (Task 3), development of the initial stress model & deployment design (Task 4), and Go/No-go Decision Point #1 (Task 5). Phase II began with implementing the 2022 deployment (Task 6), followed by Go/No-go Decision Point #2 (Task 7) The remainder of Phase II consisted of analyzing data collected during deployment (Task 8), calibration of the stress model on all observations (Task 9), and the Final Review (August 23, 2024) & Reporting (Task 10).

15 GEOTHERMAL ENERGY↗

Low embodied energy and carbon, high lifetime silicon boules via a combined chemical vapor deposition/float zone process

This work evaluates a new process route to making float zone (Fz)-quality silicon wafers using a combination of computational fluid dynamics (CFD) modeling and technoeconomic analysis. Our analysis finds that the new process competes with Czochralski (Cz)-grown wafers on a levelized cost of energy system level. The new process also decreases embodied energy and carbon of silicon photovoltaics (PV) by ~6x circumventing the energy-costly Siemens process used in polycrystalline silicon (poly-Si) production plants to generate feedstock for Fz and Cz boules. Instead of using poly-Si from the Siemens process to feed crystallization, the new process uses the high-purity, trichlorosilane (TCS) precursor gas to grow a poly-Si feed rod in-situ during a modified Fz1,2 boule growth process. The gas-to-boule float zone process enables opportunity to produce high-purity (low metals and oxygen content), uniformly doped single crystal silicon boules and wafers with high bulk lifetimes (τ bulk > 15 ms) to enable higher efficiency cells (>27 %) with fewer known degradation mechanisms than Czochralski (Cz)-grown wafers. These benefits reduce the levelized cost of electricity (LCOE) of PV-produced electricity. Here we show the results of our CFD and chemical modeling of the process to prove feasibility and economic viability.

14 SOLAR ENERGY↗

Dynamic response of a freely rotating butterfly valve in the advanced test reactor – dynamic fluid-body interaction modeling

To regulate primary coolant flow in the Advanced Test Reactor (ATR), a butterfly valve was installed between the primary coolant pumps and the reactor core. If the mechanical connection between the valve's disk and its shaft ever fails, the disk will rotate freely. Rapid disk rotation may induce pressure surges that could damage upstream pipes. In the present work, the rotational trajectory and pressure evolution during a disk free-rotation scenario were analyzed via the dynamic fluid-body interaction (DFBI) approach in STAR-CCM+, with the movement of a solid being driven by the forces and moment/torque imposed by its surrounding fluid. Assuming a large initial opening angle, the disk accelerates slowly, but swiftly passes the closed position. As a result of the sudden valve closure, a pressure surge occurs in the upstream pipes, exceeding their maximum allowable pressure. Furthermore, the disk does not stabilize at the closed position but continually oscillates due to the unsteady nature of the coolant flow. Because of the significant and continuous water hammer effect, a fix to the butterfly valve is being implemented to prevent rapid valve closure due to failure at the valve's disk/shaft mechanical connection.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Temporally-consistent koopman autoencoders for forecasting dynamical systems

Absence of sufficiently high-quality data often poses a key challenge in data-driven modeling of high-dimensional spatio-temporal dynamical systems. Koopman Autoencoders (KAEs) harness the expressivity of deep neural networks (DNNs), the dimension reduction capabilities of autoencoders, and the spectral properties of the Koopman operator to learn a reduced-order feature space with simpler, linear dynamics. However, the effectiveness of KAEs is hindered by limited and noisy training datasets, leading to poor generalizability. To address this, we introduce the Temporally-Consistent Koopman Autoencoder (tcKAE), designed to generate accurate long-term predictions even with limited and noisy training data. This is achieved through a consistency regularization term that enforces prediction coherence across different time steps, thus enhancing the robustness and generalizability of tcKAE over existing models. We provide analytical justification for this approach based on Koopman spectral theory and empirically demonstrate tcKAE’s superior performance over state-of-the-art KAE models across a variety of test cases, including simple pendulum oscillations, kinetic plasma, and fluid flow data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Thermal Analysis of a Solid Particle Light-Trapping Planar Cavity Receiver Using Computational Fluid Dynamics

Concentrated solar power (CSP) is one of the most effective ways of harnessing solar power to create efficient, durable, and resilient energy systems. This study entails thermal modeling and analysis of a novel central tower receiver configuration. This receiver uses solid particles as the heat transfer fluid (HTF), a promising option for third-generation CSP systems. The configuration considered here is the light-trapping planar cavity receiver (LTPCR) introduced by the National Renewable Energy Laboratory. While heat transfer studies of various LTPCR subsystems have been done, system-level thermal analysis of the LTPCR receiver has not been attempted. This study also presents important sensitivity analyses of the operating parameters of the CSP system, which can help guide the design of future central tower receivers. This study employs Ansys Fluent as a computational fluid dynamics (CFD) tool to model fluid dynamics and heat transfer in the receiver, intending to quantify its thermal performance. The model seamlessly integrates Monte Carlo ray tracing data, which generates absorbed solar flux profiles from the heliostat field design, with the heat transfer characteristics of the fluidized particle bed. This unified model is designed to accurately predict the thermal behavior of the LTPCR. Analysis of preliminary results reveals that the primary loss mechanisms are radiative and natural convective losses, in that order. Based on observations from a baseline case, several strategies are suggested and numerically tested. These solutions include selective cooling of high-temperature regions and manipulation of particle bed parameters. Selective cooling of high-temperature regions reduced the peak temperature by 151 degrees C and decreased thermal losses by 0.9%. Improving the particle-wall heat transfer coefficient (P-W HTC) of the particle bed decreased the thermal losses by 1.7% and decreased the peak temperatures by 57 degrees C. Decreasing the particle inlet temperature (PIT) also reduced thermal losses by 3.5% and decreased peak temperatures by 29 degrees C. Compounding these strategies improved the thermal losses of the receiver from 13.5% in the baseline case to 7.5%. Additionally, the study explores the variation in thermal performance across different locations of the receiver, where a variation of thermal losses from 12.9% to 17.3% is found. This allows a comprehensive evaluation of potential improvements in efficiency and temperature management.

computational fluid dynamics↗

CFD modeling of non-catalytic, partial-oxidation engine reformer for flare mitigation

Flaring associated natural gas is commonly employed in the oil and gas industry to reduce methane (CH 4 ) emissions but generates carbon dioxide (CO 2 ) and harmful pollutants, significantly contributing to air pollution and posing risks to public health. To mitigate this impact, M2X Energy Inc. has developed a small-scale, modular gas-to-methanol system. This system features an engine reformer that performs fuel-rich partial oxidation of wellhead gas to produce syngas—a mixture of carbon monoxide (CO) and hydrogen (H 2 )—followed by a downstream reactor for methanol synthesis. This study focused on computational fluid dynamics (CFD) modeling of the engine reformer to simulate partial oxidation chemistry, predict the rich-burn operating limit, and assess syngas quality, ultimately aiding in design and operational optimization. The CFD model, developed within a Reynolds-Averaged Navier-Stokes (RANS) turbulence framework, incorporated sub-models for turbulent combustion, a chemical mechanism with polycyclic aromatic hydrocarbon (PAH) pathways, and soot emissions to accurately capture the fuel-rich, turbulent jet ignition and combustion processes. Model validation against experimental data showed good agreement across pre- and main-chamber pressures, apparent heat release rates, and exhaust gas concentrations of key species (H 2 , CO, CO 2 , CH 4 ) for varying intake equivalence ratios. Here, the model identified a rich-burn operating limit near a fuel-air equivalence ratio of 2.35, consistent with experimental observations. Furthermore, syngas quality analysis revealed that extending the rich-burn limit through engine reformer optimization could enhance syngas production, contributing to higher methanol synthesis efficiency.

Computational Fluid Dynamics↗

Utah FORGE: Triaxial Direct Shear Results - February 2025

This dataset contains results from nine triaxial direct shear tests conducted by Los Alamos National Laboratory on samples from FORGE Well 16A(78)-32. The primary objectives of this work were to determine the shear strength in both intact and residual states, evaluate dilation against displacement, assess permeability in relation to displacement, time, and normal stress, understand the relationship between aperture and normal stress, and monitor the effluent chemistry as a function of time. The data includes time-series measurements of stress, displacement, permeability, and effluent chemistry, with and without experimental dilution corrections. Additional materials include profilometry data, photographic documentation of the experimental setups and apparatus, and test notes. The dataset is organized into folders corresponding to each test, containing hydromechanical data, effluent chemistry measurements, and images. The hydromechanical data consists of detailed time-series records capturing parameters such as shear force, confining pressure, permeability, and temperature. Effluent chemistry data tracks fluid composition changes over time. Also included are conference papers, presentation slides, and a summary document outlining the experiments.

15 GEOTHERMAL ENERGY↗

Predicting Cement-Sheath Integrity with Consideration of Initial State of Stress and Thermoporoelastic Effects

In conventional wellbore-integrity analysis, the cement sheath’s initial state of stress and transient thermoporoelastic effects are often neglected. However, the initial state of stress is prerequisite information for accurately predicting the safe operating conditions that prevent a cemented well from being damaged. In addition, transient thermoporoelastic effects can have a profound effect on when damage will occur. Here in this paper, we propose a model that includes these effects to predict the safe operating pressures and temperatures that will prevent cement-sheath failure. For the initial state of stress, we proposed an empirical model using measurements. Subsequent stress changes are evaluated by a fully coupled transient thermoporoelastic model to analyze the mechanical behavior of the cement sheath. We predict the safe operating envelope (SOE) for shear, tensile, and debonding cement-sheath failures caused by pressure and temperature perturbations after the cement sets. Our model predicts that pore pressure is a key factor for cement failure, especially for rapid temperature changes. If the formation is low permeability, the transient pore pressures are amplified, causing the risk of damage to increase. Compared with conventional thermoelastic models, the thermoporoelastic model predicts a smaller SOE when heating the internal casing fluid and a larger envelope when cooling the internal casing fluid. Finally, the heating rate was considered with respect to field applications. The heating rate was also considered, and slower heating/cooling rates can prevent damage to the cement sheath. Finally, the thermoporoelastic model was applied to explain several laboratory and field experiments and achieved good matches.

02 PETROLEUM↗