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DOE OSTI2022

Redox-flow batteries employing oligomeric organic active materials and size-selective microporous polymer membranes

Intermittent energy sources, including solar and wind, require scalable, low-cost, multi-hour energy storage solutions to be effectively incorporated into the grid. Redox-flow batteries offer a solution, but suffer from rapid capacity fade and low Coulombic efficiency due to the high permeability of redox-active species across the battery's membrane. Here we show that active-species crossover can be arrested by scaling the membrane's pore size to molecular dimensions and in turn increasing the size of the active material to be above the membrane's pore-size exclusion limit. When oligomeric redox-active organic molecules were paired with microporous polymer membranes, the rate of active-material crossover was either completely blocked or slowed more than 9,000-fold compared to traditional separators at minimal cost to ionic conductivity. In the case of the latter, this corresponds to an absolute rate of ROM crossover of less than 3 μmol cm−2 day−1 (for a 1.0 M concentration gradient), which exceeds performance targets recently set forth by the battery industry. This strategy was generalizable to both high and low-potential ROMs in a variety of electrolytes, highlighting the importance of macromolecular design in implementing next-generation redox-flow batteries.

Helms, Brett A.↗

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↗

NASA NTRSDate not supplied

L'Ralph's Advanced Thermal Model Correlation Using Veritrek

Thermal model correlation uses data from thermal balance tests to better estimate uncertain input parameter values. During the correlation process, input parameters are modified in an iterative manner which can become computationally expensive since this requires that the high-fidelity thermal model be run for each iteration. Depending on the number of thermal balance test points there can be many sets of correlation parameters that satisfy correlation criteria; and having enough data to ascertain the best set of correlation parameters to use, further increases the computational expense. Reduced-order models (ROMs) provide computationally efficient surrogates of high-fidelity models and are often built to reduce development cycle times and cost. By leveraging the speed of reduced-order models and the Correlation Analysis feature in the Veritrek software, the typical computational expense of a traditional thermal model correlation process can be significantly reduced and having access to hundreds of thousands of iteration results provides an advanced means of intelligently determining the best set of correlation parameters to use. The L’Ralph thermal team at NASA Goddard Space Flight Center explored the use of the Veritrek software for their thermal model correlation efforts. The ROM that was created allowed for the variation of 15 input parameters to match 70 temperature sensor readouts from 3 thermal balance plateus and required 125 runs of the high-fidelity Thermal Desktop® model to generate a ROM that could predict the detailed model’s results to within 0.2 K (RMS). The ROM was then used to find dozens of plausible correlation parameter values based on L’Ralph instrument test data within a few seconds. By providing several plausible correlation parameter combinations, Veritrek allowed the thermal team to explore different uncertain parameter value combinations and provided insight into how deterministic each input parameter was. This allowed for a more confident decision on the best set of correlation parameters to use, compared to traditional model correlation techniques. In this presentation, the L’Ralph thermal team will be presenting their experience with the Veritrek software and how the software was utilized to provide additional insights during the correlation process.

Daniel Bae↗

NASA NTRSDate not supplied

L'Ralph's Advanced Thermal Model Correlation Using Veritrek

Daniel Bae↗

NASA NTRS2001

An FPGA-Based Test-Bed for Reliability and Endurance Characterization of Non-Volatile Memory

Memory technologies are divided into two categories. The first category, nonvolatile memories, are traditionally used in read-only or read-mostly applications because of limited write endurance and slow write speed. These memories are derivatives of read only memory (ROM) technology, which includes erasable programmable ROM (EPROM), electrically-erasable programmable ROM (EEPROM), Flash, and more recent ferroelectric non-volatile memory technology. Nonvolatile memories are able to retain data in the absence of power. The second category, volatile memories, are random access memory (RAM) devices including SRAM and DRAM. Writing to these memories is fast and write endurance is unlimited, so they are most often used to store data that change frequently, but they cannot store data in the absence of power. Nonvolatile memory technologies with better future potential are FRAM, Chalcogenide, GMRAM, Tunneling MRAM, and Silicon-Oxide-Nitride-Oxide-Silicon (SONOS) EEPROM.

Rao, Vikram↗

DOE OSTI2023

Physics-informed machine learning for fault-leakage reduced-order modeling

Geologic carbon storage (GCS) is a promising technology for mitigating CO 2 emissions. The overall success of GCS depends on safe operations that are informed by risk assessment and have proper mitigation plans in place. Performing quantitative probabilistic risk assessment for a GCS site using traditional reservoir simulators can be challenging due to the high computational costs. To overcome this challenge, the US Department of Energy’s National Risk Assessment Partnership (NRAP) project has developed an integrated assessment modeling approach that utilizes computationally efficient reduced-order models (ROM) for simulating various parts of a GCS storage site to quantify uncertainty. Here, in this study, we develop a reduced-order model for fault leakage risk assessment. We use a deep learning approach to build the reduced-order model. We perform a sensitivity analysis and find that the deep learning model yields high accuracy with a much smaller computational cost than full-physics simulation. We also evaluate the performance of the model in scenarios where simulations are not possible to run, providing analysis not previously performed in fault-leakage ROM analyses. Based on a sensitivity analysis of the model, we suggest a simplified conceptual model for fault leakage and site monitoring.

58 GEOSCIENCES↗

NASA NTRS2018

Assessment of the Mars Helicopter Thermal Design Sensitivities Using the Veritrek Software

The Mars Helicopter will be a technology demonstration conducted during the Mars 2020 mission. The primary mission objective is to achieve several 90-second flights and capture visible light images via forward and nadir mounted cameras. These flights could possibly provide reconnaissance data for sampling site selection for other Mars surface missions. The helicopter is powered by a solar array, which stores energy in secondary batteries for flight operations, imaging, communications, and survival heating. The helicopter thermal design is driven by minimizing survival heater energy while maintaining compliance with allowable flight temperatures in a variable thermal environment. Due to the small size of the helicopter and its complex geometries, along with the fact that it operates with very low power and small margins, additional care had to be paid while planning thermal tests and designing the thermal system. A Thermal Desktop® model has been developed to predict the thermal system’s performance. A reduced-order model (ROM) created with the Veritrek software has been utilized to explore the sensitivities of the thermal system’s drivers, such as electronics dissipations, gas gaps, heat transfer coefficients, etc., as well as to assess and verify the final thermal design. This paper presents the performance of the Veritrek software products and the details of the ROM creation process. The results produced by Veritrek were utilized to study the effect of the major thermal design drivers and Mars environment on the Mars Helicopter in as little as 10 days, an effort that would have taken over 4 months using traditional thermal analysis techniques.

Hengeveld, Derek W.↗

DOE OSTI2022

Variational encoder geostatistical analysis (VEGAS) with an application to large scale riverine bathymetry

Estimation of riverbed profiles, also known as bathymetry, plays a vital role in many applications, such as safe and efficient inland navigation, prediction of bank erosion, land subsidence, and flood risk management. The high cost and complex logistics of direct bathymetry surveys, i.e, depth imaging, have encouraged the use of indirect measurements such as surface flow velocities. However, estimating high-resolution bathymetry from indirect measurements is an inverse problem that can be computationally challenging. Here, we propose a reduced-order model (ROM) based approach that utilizes a variational autoencoder (VAE), a type of deep neural network with a narrow layer in the middle, to compress bathymetry and flow velocity information and accelerate bathymetry inverse problems from flow velocity measurements. In our application, the shallow-water equations (SWE) with appropriate boundary conditions (BCs), e.g., the discharge and/or the free surface elevation, constitute the forward problem, to predict flow velocity. Then, ROMs of the SWEs are constructed on a nonlinear manifold of low dimensionality through a variational encoder and the bathymetry inversion problem is derived on the low-dimensional latent space in a Hierarchical Bayesian setting. Further, the reformulation allows variational inference with a small number (e.g., $\mathscr{O}$ (100) of ROM runs and efficient uncertainty quantification. We have tested our inversion approach on a one-mile reach of the Savannah River, GA, USA. Once the neural network is trained (offline stage), the proposed technique can perform the inversion operation orders of magnitude faster than traditional inversion methods that are commonly based on linear projections, such as principal component analysis (PCA), or the principal component geostatistical approach (PCGA). Furthermore, tests show that the algorithm can estimate the bathymetry with good accuracy even with sparse flow velocity measurements.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Train small, model big: Scalable physics simulators via reduced order modeling and domain decomposition

Numerous cutting-edge scientific technologies originate at the laboratory scale, but transitioning them to practical industry applications is a formidable challenge. Traditional pilot projects at intermediate scales are costly and time-consuming. An alternative, the pilot-scale model, relies on high-fidelity numerical simulations, but even these simulations can be computationally prohibitive at larger scales. To overcome these limitations, we propose a scalable, physics-constrained reduced order model (ROM) method. The ROM identifies critical physics modes from small-scale unit components, projecting governing equations onto these modes to create a reduced model that retains essential physics details. We also employ Discontinuous Galerkin Domain Decomposition (DG-DD) to apply ROM to unit components and interfaces, enabling the construction of large-scale global systems without data at such large scales. Here this method is demonstrated on the Poisson and Stokes flow equations, showing that it can solve equations about 15–40 times faster with only ~1% relative error. Furthermore, ROM takes one order of magnitude less memory than the full order model, enabling larger scale predictions at a given memory limitation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

An Optimization-Based Coupling of Reduced Order Models with an Efficient Reduced Adjoint Basis Generation Approach

Optimization-based coupling (OBC) is an attractive alternative to traditional Lagrange multiplier approaches in multiple modeling and simulation contexts. However, application of OBC to time-dependent problems has been hindered by the computational cost of finding the stationary points of the associated Lagrangian, which requires primal and adjoint solves. This issue can be mitigated by using OBC in conjunction with computationally efficient reduced order models (ROMs). To demonstrate the potential of this combination, in this paper, we develop an optimization-based ROM-ROM coupling for a transient advection-diffusion transmission problem. We pursue the “optimize-then-reduce” path toward solving the minimization problem at each time step and solve reduced space adjoint system of equations, where the main challenge in this formulation is the generation of adjoint snapshots and reduced bases for the adjoint systems required by the optimizer. One of the main contributions of the paper is a new technique for an efficient adjoint snapshot collection for gradient-based optimizers in the context of optimization-based ROM-ROM couplings. In conclusion, we present numerical studies demonstrating the accuracy of the approach along with comparison between various approaches for selecting a reduced order basis for the adjoint systems, including decay of snapshot energy, average iteration counts, and timings.

coupled problems↗

NASA NTRS1993

A multimedia adult literacy program: Combining NASA technology, instructional design theory, and authentic literacy concepts

For a number of years, the Software Technology Branch of the Information Systems Directorate has been involved in the application of cutting edge hardware and software technologies to instructional tasks related to NASA projects. The branch has developed intelligent computer aided training shells, instructional applications of virtual reality and multimedia, and computer-based instructional packages that use fuzzy logic for both instructional and diagnostic decision making. One outcome of the work on space-related technology-supported instruction has been the creation of a significant pool of human talent in the branch with current expertise on the cutting edges of instructional technologies. When the human talent is combined with advanced technologies for graphics, sound, video, CD-ROM, and high speed computing, the result is a powerful research and development group that both contributes to the applied foundations of instructional technology and creates effective instructional packages that take advantage of a range of advanced technologies. Several branch projects are currently underway that combine NASA-developed expertise to significant instructional problems in public education. The branch, for example, has developed intelligent computer aided software to help high school students learn physics and staff are currently working on a project to produce educational software for young children with language deficits. This report deals with another project, the adult literacy tutor. Unfortunately, while there are a number of computer-based instructional packages available for adult literacy instruction, most of them are based on the same instructional models that failed these students when they were in school. The teacher-centered, discrete skill and drill-oriented, instructional strategies, even when they are supported by color computer graphics and animation, that form the foundation for most of the computer-based literacy packages currently on the market may not be the most effective or most desirable way to use computer technology in literacy programs. This project is developing a series of instructional packages that are based on a different instructional model - authentic instruction. The instructional development model used to create these packages is also different. Instead of using the traditional five stage linear, sequential model based on behavioral learning theory, the project uses the recursive, reflective design and development model (R2D2) that is based on cognitive learning theory, particularly the social constructivism of Vygotsky, and an epistemology based on critical theory. Using alternative instructional and instructional development theories, the result of the summer faculty fellowship is LiteraCity, a multimedia adult literacy instructional package that is a simulation of finding and applying for a job. The program, which is about 120 megabytes, is distributed on CD-ROM.

Willis, Jerry W.↗

NASA NTRS1994

Networked information: Management issues for the acquisitions librarian

Historically, libraries have been the depositories and public access points to both domestic and international government information. A change in the information seeking behavior of the public is driving a change in government information publishing and dissemination. Patrons who traditionally used libraries for access to printed government information have become familiar and comfortable with the electronic environment. These data users are showing an increased interest in certain types of government information in electronic format, including indexes, numeric files, statistics, and hypertext documents. Government response to increased demand for electronic information has led to a flurry of special initiatives, with the production of information products on diskette, CD-ROM, and dissemination via the Internet. Libraries, and acquisitions units in particular, are being challenged to provide consistent and timely management of the information. The rapidly developing communications infrastructure, which frequently redesigns access to the information environment, poses significant obstacles to, and the tremendous opportunities for, making large bodies of government information available to a broad base of users.

Lawrence, Gregory↗

NASA NTRS1995

The NASA/MSFC Global Reference Atmospheric Model-1995 version (GRAM-95)

The latest version of the Global Reference Atmospheric Model (GRAM-95) is presented and discussed. GRAM-95 uses the new Global Upper Air Climatic Atlas (GUACA) CD-ROM data set, for 0- to 27-km altitudes. As with earlier versions, GRAM-95 provides complete geographical and altitude coverage for each month of the year. Individual years 1985 to 1991 and a period-of-record (1980 to 1991) can be simulated for the GUACA height range. GRAM-95 uses a specially developed data set, based on Middle Atmosphere Program (MAP) data, for the 20- to 120-km height range, and the NASA Marshall Engineering Thermosphere (MET) model for heights above 90 km. Fairing techniques assure a smooth transition in the overlap height ranges (20 to 27 km and 90 to 120 km). In addition to the traditional GRAM variables of pressure, density, temperature and wind components, GRAM-95 now includes water vapor and 11 other atmospheric constituents (O3, N2O, CO, CH4, CO2, N2, O2, O, A, He, and H). A new, variable-scale perturbation model provides both large-scale and small-scale deviations from mean values for the thermodynamic variables and horizontal and vertical wind components. The perturbation model includes new features that simulate intermittency (patchiness) in turbulence and small-scale perturbation fields. The density perturbations and density gradients (density shears) computed by the new model compare favorably in their statistical characteristics with observed density perturbations and density shears from 32 space shuttle reentry profiles. GRAM-95 provides considerable improvement in wind estimates from the new GUACA data set, compared to winds calculated from the geostrophic wind relations previously used in the 0- to 25-km height range. The GRAM-95 code has been put into a more modular form, easier to incorporate as subroutines in other programs (e.g., trajectory codes). A complete user's guide for running the program, plus sample input and output, is provided.

Justus, C. G.↗

NASA NTRS2001

Near-Horizontal, Two-Phase Flow Patterns of Nitrogen and Hydrogen at Low Mass Heat and Flux (on CD-ROM)

One reason for NASA's interest in cryogenic two-phase flow with low mass and heat flux is the need to design spacecraft heat exchangers used for vaporizing cryogenic propellants. The CD-ROM provides digitized movies of particular flow patterns observed in experimental work. The movies have been provided in (QuickTime9Trademark) format, encoded at 320w x 240h pixels, 15 fps, using the Sorenson(Trademark) Video Codec for compression. Experiments were conducted to obtain data on the two-phase (liquid and vapor) flow behavior of cryogenic nitrogen and hydrogen under low mass and heat flux conditions. Tests were performed in normal gravity with a 1.5 degree up flow configuration. View ports in the apparatus permitted visual observation of the two-phase flow patterns. Computer codes to predict flow patterns were developed from theoretical/empirical models reported in the literature. Predictions from the computer codes were compared with experimental flow pattern observations. Results are presented employing the traditional two-dimensional flow pattern map format using the liquid and gas superficial velocities as coordinates. In general, the agreement between the experimental results and the analytical predictive methods is reasonably good. Small regions of the flow pattern maps are identified where the models are deficient as a result of neglecting phase change phenomena. Certain regions of the maps were beyond the range of the experiments and could not be completely validated. Areas that could benefit from further work include modeling of the transition from separated flow, collection of additional data in the bubble and annular flow regimes, and collection of experimental data at other inclination angles, tube diameters and high heat flux.

TWO PHASE FLOW↗

NASA NTRS1987

Digital cartography of the planets - New methods, its status, and its future

A system has been developed that establishes a standardized cartographic database for each of the 19 planets and major satellites that have been explored to date. Compilation of the databases involves both traditional and newly developed digital image processing and mosaicking techniques, including radiometric and geometric corrections of the images. Each database, or digital image model (DIM), is a digital mosaic of spacecraft images that have been radiometrically and geometrically corrected and photometrically modeled. During compilation, ancillary data files such as radiometric calibrations and refined photometric values for all camera lens and filter combinations and refined camera-orientation matrices for all images used in the mapping are produced. The system is designed to aid in the following: access to and utilization of spatial data returned by planetary spacecraft; coregistration of cartographic image and topographic elevation models with geological, geophysical, and geochemical databases; and the design and preparation of both standard and custom map products. A major goal of the project is to publish the DIMs on compact computer-compatible media such as digital-optical (CD-ROM) disks.

Batson, R. M.↗

DOE OSTI2024

Coal-derived electrically conductive asphalt pavements for snow/ice melting: From laboratory to field

Timely removal of ice and snow from roads is critical to safe, fast, and uninterrupted transportation networks in cold regions. Constructing electrically conductive asphalt pavements to melt the ice and snow on the roads through resistive eating is an emerging alternative technology to traditional snow/ice removal approaches such as utilizing snowplow machines and deicing chemicals. Carbon-based fibers and fillers including carbon fiber and graphite have been widely reported to make electrically conductive hot mix asphalt mixtures for pavement snow/ice-melting applications. This study aimed to develop and demonstrate a novel type of electrically conductive asphalt pavements for snow/ice-melting, which utilizes electrically conductive cold mix asphalt (CMA) mixtures incorporating coal-derived carbon-based coke aggregate as resistive heating elements. Both laboratory experiments and field tests were conducted to investigate the electrical, mechanical, and thermal properties of such electrically conductive asphalt mixtures and pavements. The laboratory experiment results indicated that the electrically conductive CMA mixtures incorporating coke aggregate had sufficiently high electrical conductivity and satisfactory mechanical performance and the pavement prototype slab utilizing a thin layer of such CMA mixtures could successfully raise the pavement surface temperatures to 8.3–11.7 °C rom a low temperature of –5 °C with an input power density of 473 W/m 2 . The field test results showed that the full-scale coal-derived electrically conductive asphalt pavements were able to increase the pavement surface temperatures when electricity was applied, but the magnitude of temperature increase was highly dependent on the power density. Furthermore, it is promising to use coke aggregate to construct coal-derived electrically conductive asphalt pavements for snow/ice melting.

36 MATERIALS SCIENCE↗

NASA NTRS1994

Interactive archives of scientific data

A focus on qualitative methods of presenting data shows that visualization provides a mechanism for browsing independent of the source of data and is an effective alternative to traditional image-based browsing of image data. To be generally applicable, such visualization methods, however, must be based upon an underlying data model with support for a broad class of data types and structures. Interactive, near-real-time browsing for data sets of interesting size today requires a browse server of considerable power. A symmetric multi-processor with very high internal and external bandwidth demonstrates the feasibility of this concept. Although this technology is likely to be available on the desktop within a few years, the increase in the size and complexity of achieved data will continue to exceed the capacity of 'worksation' systems. Hence, a higher class of performance, especially in bandwidth, will generally be required for on-demand browsing. A few experiments with differing digital compression techniques indicates that a MPEG-1 implementation within the context of a high-performance browse server (i.e., parallized) is a practical method of converting a browse product to a form suitable for network or CD-ROM distribution.

Treinish, Lloyd A.↗

DOE OSTI2021

Optimization Methodology of Pebble Bed HTGR Start-Up and Running-in Strategy

In recent years interest in advanced reactor technologies has increased significantly. However, the methods used for analysis of traditional nuclear reactors are insufficient to consider all the different and varied advanced reactor designs without further development. One promising advanced reactor design is the pebble bed reactor (PBR). PBRs possess unique operational and fuel cycle features that require the development of specific analysis methodologies to adequately design and analyze the systems. There is a need in PBR research for a capability to analyze and optimize the process of transitioning from the start-up reactor core to the equilibrium core (known as the “running-in” of the reactor). The start-up of a PBR and the transition to the equilibrium core is a complex, multi-physics challenge that has not yet been well researched and has many opportunities for design, analysis, and optimization of the process. In this research, a methodology is defined to consider the potential strategies in PBR start-up and run-in to the equilibrium core. Multiple candidate software are considered, and their pros and cons are discussed for the PBR-specific application in the methodology. A preliminary software selection for the physics engine is made, and initial verification of key modules is performed. Software to support optimization of the reactor run-in strategies through reduced order modeling (ROM) and machine learning are considered. Challenges for a full implementation of the methodology are discussed. Additional code selections and verification of models relevant to the application are needed before full demonstration of the methodology can be achieved and an optimal strategy determined.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗