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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 325 records · Page 18

Seawater Acidification and Bubble Plume Dispersion from Accidental Subsea CO 2 Pipeline Rupture: A Multiphase CFD Study

If a CO 2 reservoir or transmission pipeline were to leak, both the surrounding ecology and maritime traffic safety could be put at risk. To better understand and prepare for this risk, multiphase Computational Fluid Dynamics (CFD) models were built in ANSYS Fluent to capture the behavior of a leak once it enters the water. A 3D Eulerian–Eulerian model was used for validation, while a simplified 2D model was applied to simulate conditions at a 50-m depth. The models integrate bubble dynamics, gas holdup, CO 2 dissolution, dissolved species transport, and seawater acidification into a unified CFD framework. Mass transfer was calculated using the Hughmark correlation, and local seawater temperature and salinity were factored in to determine dissociation behavior and the relevant Henry’s Law constant. To confirm the 3D model’s accuracy, results were checked against two experimental datasets: the QICS field study and the Hauser Tank experiments. The team also modeled a hypothetical release scenario at the High Island 10L site and compared the results with earlier published work. The results show that at a depth of 50 m, the surrounding water column can completely absorb a CO 2 release at a rate of 35 kg/s, since the gas dissolves into the seawater as it rises toward the surface. Beyond confirming this mitigation capacity, the simulations shed light on how a leak would actually unfold in the environment, including the shape and movement of the rising bubble plume, how much CO 2 dissolves along the way, and the resulting shifts in seawater pH and pCO 2 . Together, this provides a practical framework for assessing how CO 2 leaks could affect marine environments in the Gulf of Mexico.

54 ENVIRONMENTAL SCIENCES↗

An investigation of the phototropic effect on seedling orientation in a microgravity environment: A student involvement project

A microgravity growth chamber was designed to investigate the phototropic response of radish seedlings. Enclosed in a one fourth inch thick, hexagonal, fiberglass-foam spacepak nineteen inches across corners, the experiment consists of a growth chamber and germination tray, a water reservoir and solenoid valve, a fluorescent light for photo simulation, a Minolta X700 camera with programmable back, a 50 mm macro lens and flash, a battery pack, and a computer controller. Two temperature sensors and one light sensor located in the walls of the growth chamber provide temperature and illumination data. A computer provides 8 K command and 34 K data storage capability. The experiment was not activated during the STS flight because a malfunctioning latching relay stuck and reduced the battery power level.

Barainca, J. W.↗

3D computation of hypersonic nozzle

Numerical results of a NASP-like nozzle configuration are presented. The nozzle has characteristically a very large area ratio designed to operate in the hypersonic regime. The overall flowfield consists of the internal expansion from a stagnation reservoir and the external exhaust plume in a quiescent environment. The solutions were obtained for two experimental conditions at an underexpanded pressure ratio of 44000 and an overexpanded pressure ratio of 2495. These conditions produce flows expanding to high Mach numbers in the hypersonic range. At the nozzle entrance, the flow has a supersonic Mach number of 4.3 in the inviscid region. In the external expansion and exhaust regions, the flow expands to a maximum Mach number of 12.3 for the case of high pressure ratio, whereas a shock wave exists for the low pressure ratio case. The solutions from these three-dimensional calculations were compared to the experimental data for pressure distributions.

Lai, H. T.↗

Thermal and solubility effects on fault leakage during geologic carbon storage

Geologic carbon storage (GCS) is a promising method for reducing anthropogenic CO 2 emissions to the atmosphere. To safely deploy GCS in the field, it is necessary to assess risks and the effect of uncertainty on safe storage. The effect of uncertainty can be quantified using batches of simulations, but the high computational costs of high-resolution simulations necessitate use of reduced-order models (ROMs). Previous work involves ROMs for quantifying the risk of different potential leakage paths from storage reservoirs to shallow formations. However, previous studies on development of fault-leakage ROMs have limited numbers of uncertain parameters and do not explicitly examine impacts of CO 2 solubility and thermal stresses on fault reactivation, which can generate high-permeability pathways and compromise CO 2 storage. Here, we analyze an ensemble of simulations considering CO 2 leakage from a storage reservoir to a shallow aquifer through a fault while varying a number of uncertain parameters related to thermo-hydro-mechanical properties and CO 2 injection. We show the effects of solubility on: free-phase CO 2 -leakage rates, brine-leakage rates, and poroelastic fault destabilization. We find that CO 2 solubility is more important for estimating free-phase CO 2 -leakage rates compared to brine-leakage rates or poroelastic fault destabilization. We also find that thermal stresses and overpressures have different spatial distributions within the fault, indicating that the spatial variability of overpressures due to variation in flow parameters does not necessarily make the spatial variability of thermal stresses negligible. We suggest the use of the CO 2 phase-change path as a variable in future fault-leakage ROMs.

03 NATURAL GAS↗

Appalachian Basin Play Fairway Analysis: Revised 2016 Combined Risk Factor Analysis

This submission contains information used to compute the combined risk factors for deep geothermal energy opportunities in the Appalachian Basin, in the context of a the Play Fairway Analysis project. The risk factors are sedimentary rock reservoir quality, thermal resource quality, potential for induced seismicity, and utilization for direct-use heating of neighborhoods. The methods used to combine the risk factors included taking the average, the geometric mean, and the minimum of the four risk factors. Combined risk maps are provided for three different sedimentary rock reservoir metrics. Combined risk maps are also provided for the three geologic risk factors alone (thermal, reservoir, and seismic), and for the three risk factors that exclude reservoir quality (utilization, seismicity, and thermal qualities). The 2015 data submission should be visited to obtain associated shapefiles, which include: 1) definition of the High and Medium priority play fairways (Inner_Fairway, and Outer_Fairway), 2) definition of the US Census Places (usCensusPlaces), 3) places (cities) of interest in the region (Places_of_Interest) identified as geothermal play fairways, 4) the point centers of the raster cells (Raster_Center_Locations), and 5) locations of industries and special-use communities (e.g., colleges and military bases) identified as low temperature heat users (Industries). The 2015 submission also includes: 1) a methodology memo that explains how the risk factors were combined (GPFA-AB_combining_risk_factors.pdf), 2) the earthquake-based seismic risk map, and 3) supporting information with details of the calculations or processing used in generating these data files. More details on each file are given in the spreadsheet "list_of_contents.xlsx" in the folder "Supporting_Information". Code used to calculate values is available at https://github.com/calvinwhealton/geothermal_pfa under the folder "combining_metrics". Note that the 2016 code is currently under the branch named "combining_metrics_2016" in the folder called "combining_metrics". This branch may be merged with the master branch in the future. Many files contained within this submission update and replace the indicated files contained in: Cornell University. (2015). Risk Factor Analysis in Low-Temperature Geothermal Play Fairway Analysis for the Appalachian Basin (GPFA-AB) [data set]. Retrieved from https://gdr.openei.org/submissions/622. doi:10.15121/1261942

15 GEOTHERMAL ENERGY↗

Quantum Zeno Control of Superconducting Qubit Coherence

The Quantum Zeno Effect (QZE) dictates how the dynamics of a quantum system can be modified through continuous or discrete measurements [1]. It has gained increasing attention in quantum computing community in recent years, both due to its inevitable implications for qubit readout as well as for its promise for enabling new methods of quantum state control such as reservoir engineering and Zeno-dragging. Here, we investigate Zeno effects implemented via weak measurements for controlling superconducting-qubit coherence during gate and readout operations in a multi-qubit setup. Building on prior observations [2] that measurement backaction can both suppress and enhance qubit relaxation, we predict and measure QZE-altered qubit coherence times by manipulating the spectral overlap of qubit spectrum with background noise sources. We also discuss modifications and opportunities for controllable QZE due to anharmonic effects in multi-level superconducting atoms. [1] S. Greenfield, A. Kamal, J. Dressel, E. Levenson-Falk, arXiv:2506.12679 (2025) [2] Thorbeck, Z. Xiao, L. Govia, A. Kamal, Phys. Rev. Lett. 132, 090602 (2024)

Seidel, Olivia [Texas U., Arlington; Fermilab]↗

Computed Tomography Scanning and Geophysical Measurements of the Wellington 1-32 Core

The computed tomography (CT) facilities and the Multi-Sensor Core Logger (MSCL) at the U.S. Department of Energy’s (DOE), National Energy Technology Laboratory (NETL) in Morgantown, West Virginia were used to characterize core from the Wellington 1-32 well (API 15-191-22591), a small-scale field test site in the Wellington Field, in Sumner County, Kansas. Wellington 1-32 was drilled in association with the Kansas Geologic Survey’s (KGS) Phase I pre-feasibility study under the DOE-NETL Carbon Storage Assurance Facility Enterprise (CarbonSAFE) program, with the goal of utilizing the Arbuckle Group as a reservoir for CO 2 storage and the potential for stacked reservoir enhanced oil recovery from Mississippian reservoirs.

58 GEOSCIENCES↗

Experimental and Computational Studies of the Flow Over a Sting Mounted Planetary Probe Configuration

This paper summarizes the results of a series of experimental studies in the LENS shock tunnel and computations with DSMC and Navier Stokes codes which have been made to examine the aerothermal and flowfield characteristics of the flow over a sting-supported planetary probe configuration in hypervelocity air and nitrogen flows. The experimental program was conducted in the LENS hypervelocity shock tunnel at total enthalpies of 5and 10 MJkg for a range of reservoir pressure conditions from 70 to 500 bars. Heat transfer and pressure measurements were made on the front and rear face of the probe and along the supporting sting. High-speed and single shot schlieren photography were also employed to examine the flow over the model and the time to establish the flow in the base recirculation region. Predictions of the flowfield characteristics and the distributions of heat transfer and pressure were made with DSMC codes for rarefied flow conditions and with the Navier-Stokes solvers for the higher pressure conditions where the flows were assumed to be laminar. Analysis of the time history records from the heat transfer and pressure instrumentation on the face of the probe and in the base region indicated that the base flow was fully established in under 4 milliseconds from flow initiation or between 35 and 50 flow lengths based on base height. The measurements made in three different tunnel entries with two models of identical geometries but with different instrumentation packages, one prepared by NASA Langley and the second prepared by CUBRC, demonstrated good agreement between heat transfer measurements made with two different types of thin film and coaxial gage instrumentation. The measurements of heat transfer and pressure to the front face of the probe were in good agreement with theoretical predictions from both the DSMC and Navier Stokes codes. For the measurements made in low density flows, computations with the DSMC code were found to compare well with the pressure and heat transfer measurements on the sting, although the computed heat transfer rates in the recirculation region did not exhibit the same characteristics as the measurements. For the 10MJkg and 500 bar reservoir match point condition, the measurements and heat transfer along the sting from the first group of studies were in agreement with the Navier Stokes solutions for laminar conditions. A similar set of measurements made in later tests where the model was moved to a slightly different position in the test section indicated that the boundary layer in the reattachment compression region was close to transition or transitional where small changes in the test environment can result in larger than laminar heating rates. The maximum heating coefficients on the sting observed in the present studies was a small fraction of similar measurements obtained at nominally the same conditions in the HEG shock tunnel, where it is possible for transition to occur in the base flow, and in the low enthalpy studies conducted in the NASA Langley high Reynolds number Mach 10 tunnel where the base flow was shown to be turbulent. While the hybrid Navier- StokedDMSC calculations by Gochberg et al. (Reference 1) suggested that employing the Navier- Stokes calculations for the entire flowfield could be seriously in error in the base region for the 10 MJkg, 500 bar test case, similar calculations performed by Cornell, presented here, do not.

Holden, Michael S.↗

ML-based Data Assimilation and History Matching: Application to the IBDP CCS Project

It is crucial to monitor the CO2 plume effectively throughout the life cycle of a geologic CO2 sequestration project to ensure safety and storage efficiency. However, the computational cost of existing data assimilation methods can be prohibitively expensive due to the complex physics with multi-component non-isothermal simulation and high dimensionality of large-scale reservoir models. We address this challenge by proposing an accelerated deep learning-based workflow for model calibration and prediction of CO2 plume evolution in the reservoir.The power and efficacy of our workflow is demonstrated by application to the Illinois Basin-Decatur Project (IBDP), a large-scale CO2 storage test in saline aquifer. The data assimilation process is implemented rapidly by the proposed workflow with given field measurements including distributed pressure and temperature sensing (DTS) data at an injection and a monitoring well. CO2 plume evolution is predicted by running the simulations of the calibrated reservoir models.

Nagao, Masahiro↗

Computer acquired performance data from an etched-rhenium, molybdenum planar diode

Performance data from an etched-rhenium, molybdenum thermionic converter are presented. The planar converter has a guard-ringed collector and a fixed spacing of 0.254 mm (10 mils). The data were acquired by using a computer and are available on microfiche as individual or composite parametric current, voltage curves. The parameters are the temperatures of the emitter T sub E, collector T sub C and cesium reservoir T sub R. The composite plots have constant T sub E, and varying T sub C or T sub R, or both. The envelope and composite plots having constant I sub E are presented. The diode was tested at increments between 1500 and 2000 K for the emitter, 750 and 1100 K for the collector, and 540 and 640 K for the reservoir. In all, 774 individual current, voltage curves were obtained.

Manista, E. J.↗

Adaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties

A fully atomistic modelling of many biophysical and biochemical processes at biologically relevant length- and time scales is beyond our reach with current computational resources, and one approach to overcome this difficulty is the use of multiscale simulation techniques. In such simulations, when system properties necessitate a boundary between resolutions that falls within the solvent region, one can use an approach such as the Adaptive Resolution Scheme (AdResS), in which solvent particles change their resolution on the fly during the simulation. Here, we apply the existing AdResS methodology to biomolecular systems, simulating a fully atomistic protein with an atomistic hydration shell, solvated in a coarse-grained particle reservoir and heat bath. Using as a test case an aqueous solution of the regulatory protein ubiquitin, we first confirm the validity of the AdResS approach for such systems, via an examination of protein and solvent structural and dynamical properties. We then demonstrate how, in addition to providing a computational speedup, such a multiscale AdResS approach can yield otherwise inaccessible physical insights into biomolecular function. We use our methodology to show that protein structure and dynamics can still be correctly modelled using only a few shells of atomistic water molecules. We also discuss aspects of the AdResS methodology peculiar to biomolecular simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

TU-H-206-02: Novel Linearly-Filled Derenzo PET Phantom Design

Purpose: To design a linearly-filled Derenzo positron emission tomography (PET) phantom, eliminating the extraneous radioisotope volumes in a conventional reservoir-type design. This activity reduction combined with the elimination of bubbles in smaller phantom channels would significantly reduce personnel dose, radioisotope cost, and would improve image quality by reducing out-of-slice activity scatter. Methods: A computer-aided design (CAD) was created of a modular Derenzo phantom consisting of three phantom layers with gaskets between the layers. The central piece contains the active pattern volume and channels connecting adjacent rods in a serpentine pattern. The two end-pieces contained an inlet and an outlet for filling purposes. Phantom prototypes were 3D printed on a Viper Si2 stereolithography machine. The two gaskets were fabricated from silicon sheets using a PLS 6.75 laser cutter. Phantoms were held together by pass-through glass-filled nylon bolts and nuts. Phantoms were filled with {sup 52}Mn, {sup 64}Cu, {sup 74}Br, and {sup 124}I for testing, and were imaged on a Siemens Inveon MicroPET scanner. Results: Four phantom prototypes were constructed using male Leur Lock fittings for inlet/outlet ports. 3D printed layers were sanded to ensure proper coupling to the silicon gaskets. The filling volume for each prototype was approximately 2.4 mL. The filling process was found to be rapid, leak-tight, and with minimal back-pressure. PET images were reconstructed by OSEM3D, and axial slices along the phantom pattern length were averaged to provide final images. Image distortion was isotope dependent with {sup 52}Mn and {sup 64}Cu having the least distortion and {sup 124}I having the most distortion. Conclusion: These results indicate that the linearlyfilled Derenzo design improves on conventional reservoir-type designs by eliminating potential bubbles in small channels and by reducing activity level, radioisotope volume, radioisotope cost, personnel dose, filling time, and out-of-slice activity scatter The method described in this abstract has been filed as a patent application to the US Patent and Trade Office by the Wisconsin Alumni Research Foundation (WARF).

60 APPLIED LIFE SCIENCES↗

Multiscale Modeling of CO 2 Migration and Trapping in Fractured Reservoirs with Validation by Model Comparison and Real-Site Applications (Final Technical Report)

This report documents the accomplishments achieved during the project titled “Multiscale Modeling of CO 2 Migration and Trapping in Fractured Reservoirs with Validation by Model Comparison and Real-Site Applications” funded by the US Department of Energy, Office of Fossil Energy. The objectives of the project were to develop modeling capabilities for predicting CO 2 and brine migration in fractured reservoirs during geologic carbon storage and to investigate the feasibility of carbon storage in fractured reservoirs using the newly developed modeling capabilities. To achieve these objectives new mass transfer functions were developed to adapt existing dual-continuum approaches – a commonly used approach in hydrocarbon reservoir modeling – to the CO 2 -brine system. In the dual-continuum approach the undisturbed rock matrix and the fractures are modeled as two separate continua, which are coupled through mass exchange of CO 2 and brine between the two continua. Mass transfer functions represent the mass exchange between fractures and the rock matrix, without requiring highly resolved numerical grids of individual fractures, thus allowing large modeling domains relevant to geologic carbon storage questions (tens of meters to hundreds of kilometers). Mass transfer functions for the exchange of both free-phase CO 2 and brine between fractures and rock matrix were developed for both the injection phase and the post-injection phase. During the injection phase the fractures are filled with CO 2 , while the rock matrix is initially filled with brine. Therefore, a mass transfer function was developed that is based on vertical displacement of brine by CO 2 in the rock matrix due to gravitational forces. Once CO 2 injection ceases and CO 2 migrates away from the direct vicinity of the injection site, the fractures will begin to re-fill with brine, while the rock matrix will have high CO 2 saturations. For these conditions a mass transfer functions was developed that is based on spontaneous imbibition, as the pore spaces in the rock matrix are much smaller than in the fractures. For formations with low permeability or high capillary entry pressure of the rock matrix, free-phase CO 2 may not be able to enter the rock matrix. However, free-phase CO 2 at the interface between fractures and rock matrix can dissolve into brine resident in the rock matrix. Therefore, additional mass transfer functions were developed based on aqueous-phase diffusion of CO 2 through the rock matrix. These mass transfer functions are based on existing solutions for diffusion and were expanded to be applicable to a variety of block shapes relevant to dual-continuum modeling. Implementations of the newly developed mass transfer functions showed that they give accurate results when compared to highly resolved models. In addition to developing new transfer functions, a new vertically-integrated dual-continuum modeling framework was developed. This development takes advantage of fast vertical segregation of CO 2 and brine in the fractures due to the density difference between CO 2 and brine and the high permeability of the fractures. Therefore, a vertically-integrated vertical equilibrium model for the fractures is coupled with a vertically-distributed model for the rock matrix. The newly developed approach significantly reduces the computational effort, but is only accurate for fracture permeabilities of 100 mD or higher. Finally, the newly developed models were applied to real and hypothetical geologic carbon storage sites to investigate the feasibility of using fractured reservoirs for carbon storage. The general results were, that storage of CO 2 – both as free-phase and dissolved – is feasible, but that storage capacities are likely lower than in unfractured systems. While the high permeability of the fractures reduces the injection pressure (or permits higher injection rates), fast migration of CO 2 may limit the overall storage volume, because CO 2 may escape laterally with not enough of the rock matrix being swept for effective storage.

20 FOSSIL-FUELED POWER PLANTS↗

Quantum simulation of dissipative processes without reservoir engineering

We present a quantum algorithm to simulate general finite dimensional Lindblad master equations without the requirement of engineering the system-environment interactions. The proposed method is able to simulate both Markovian and non-Markovian quantum dynamics. It consists in the quantum computation of the dissipative corrections to the unitary evolution of the system of interest, via the reconstruction of the response functions associated with the Lindblad operators. Our approach is equally applicable to dynamics generated by effectively non-Hermitian Hamiltonians. We confirm the quality of our method providing specific error bounds that quantify its accuracy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Mixed Delay/Nondelay Embeddings Based Neuromorphic Computing with Patterned Nanomagnet Arrays

Patterned nanomagnet arrays (PNAs) have been shown to exhibit a strong geometrically frustrated dipole interaction. Some PNAs have also shown emergent domain wall dynamics. Previous works have demonstrated methods to physically probe these magnetization dynamics of PNAs to realize neuromorphic reservoir systems that exhibit chaotic dynamical behavior and high-dimensional nonlinearity. These PNA reservoir systems from prior works leverage echo state properties and linear/nonlinear short-term memory of component reservoir nodes to map and preserve the dynamical information of the input time-series data into nondelay spatial embeddings. Such mappings enable these PNA reservoir systems to imitate and predict/forecast the input time series data. However, these prior PNA reservoir systems are based solely on the nondelay spatial embeddings obtained at component reservoir nodes. As a result, they require a massive number of component reservoir nodes, or a very large spatial embedding (i.e., high-dimensional spatial embedding) per reservoir node, or both, to achieve acceptable imitation and prediction accuracy. These requirements reduce the practical feasibility of such PNA reservoir systems. To address this shortcoming, we present a mixed delay/nondelay embeddings-based PNA reservoir system. Our system uses a single PNA reservoir node with the ability to obtain a mixture of delay/nondelay embeddings of the dynamical information of the time-series data applied at the input of a single PNA reservoir node. Our analysis shows that when these mixed delay/nondelay embeddings are used to train a perceptron at the output layer, our reservoir system outperforms existing PNA-based reservoir systems for the imitation of NARMA 2, NARMA 5, NARMA 7, and NARMA 10 time series data, and for the short-term and long-term prediction of the Mackey Glass time series data.

Ti, Changpeng↗

Matrix-Free High-Performance Saddle-Point Solvers for High-Order Problems in \(\boldsymbol{H}(\operatorname{\textbf{div}})\)

Here, this work describes the development of matrix-free GPU-accelerated solvers for high-order finite element problems in H(div). The solvers are applicable to grad-div and Darcy problems in saddle-point formulation, and have applications in radiation diffusion and porous media flow problems, among others. Using the interpolation–histopolation basis, efficient matrix-free preconditioners can be constructed for the (1, 1)-block and Schur complement of the block system. With these approximations, block-preconditioned MINRES converges in a number of iterations that is independent of the mesh size and polynomial degree. The approximate Schur complement takes the form of an M-matrix graph Laplacian and therefore can be well-preconditioned by highly scalable algebraic multigrid methods. High-performance GPU-accelerated algorithms for all components of the solution algorithm are developed, discussed, and benchmarked. Numerical results are presented on a number of challenging test cases, including the “crooked pipe” grad-div problem, the SPE10 reservoir modeling benchmark problem, and a nonlinear radiation diffusion test case.

97 MATHEMATICS AND COMPUTING↗