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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Efficient Dimension Reduction of Complex Three-dimensional CO2 Saturation using Deep Learning Models

In the domain of deep learning (DL), dimension reduction is crucial for enhancing training efficiency and mitigating overfitting, particularly when managing complex data such as three-dimensional (3D) saturation data. The 3D saturation data in the context of geological carbon storage (GCS) presents unique challenges due to its inherent sparsity and the abrupt transitions at plume boundaries, known as shock fronts. To address the challenges, we proposed a novel DL framework that integrates dimension reduction with advanced 3D reconstruction techniques. Our model leveraged latent variables derived from 2D average saturation data, offering a robust and efficient solution tailored to the intricate dynamics of 3D saturation fields. The proposed framework can extract the critical features of the high-dimensional data while reducing the variable numbers, which is more tractable for DL models and enhances the model robustness and accuracy. Therefore, it provides a novel approach for modeling and analyses in complex geological scenarios, which finds great potential applications in environmental monitoring and energy storage.

Wang, Hongsheng↗
DOE OSTI2024

Stressful crystal histories recorded around melt inclusions in volcanic quartz

Abstract Magma ascent and eruption are driven by a set of internally and externally generated stresses that act upon the magma. We present microstructural maps around melt inclusions in quartz crystals from six large rhyolitic eruptions using synchrotron Laue X-ray microdiffraction to quantify elastic residual strain and stress. We measure plastic strain using average diffraction peak width and lattice misorientation, highlighting dislocations and subgrain boundaries. Quartz crystals across studied magma systems preserve similar and relatively small magnitudes of elastic residual stress (mean 53–135 MPa, median 46–116 MPa) in comparison to the strength of quartz (~ 10 GPa). However, the distribution of strain in the lattice around inclusions varies between samples. We hypothesize that dislocation and twin systems may be established during compaction of crystal-rich magma, which affects the magnitude and distribution of preserved elastic strains. Given the lack of stress-free haloes around faceted inclusions, we conclude that most residual strain and stress was imparted after inclusion faceting. Fragmentation may be one of the final strain events that superimposes stresses of ~ 100 MPa across all studied crystals. Overall, volcanic quartz crystals preserve complex, overprinted deformation textures indicating that quartz crystals have prolonged deformation histories throughout storage, fragmentation, and eruption.

58 GEOSCIENCES↗
DOE OSTI2024

Sound propagation in realistic interactive 3D scenes with parameterized sources using deep neural operators

We address the challenge of acoustic simulations in three-dimensional (3D) virtual rooms with parametric source positions, which have applications in virtual/augmented reality, game audio, and spatial computing. The wave equation can fully describe wave phenomena such as diffraction and interference. However, conventional numerical discretization methods are computationally expensive when simulating hundreds of source and receiver positions, making simulations with parametric source positions impractical. To overcome this limitation, we propose using deep operator networks to approximate linear wave-equation operators. This enables the rapid prediction of sound propagation in realistic 3D acoustic scenes with parametric source positions, achieving millisecond-scale computations. By learning a compact surrogate model, we avoid the offline calculation and storage of impulse responses for all relevant source/listener pairs. Our experiments, including various complex scene geometries, show good agreement with reference solutions, with root mean squared errors ranging from 0.02 to 0.10 Pa. Notably, our method signifies a paradigm shift as—to our knowledge—no prior machine learning approach has achieved precise predictions of complete wave fields within realistic domains.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

An Efficient Checkpointing System for Large Machine Learning Model Training

As machine learning models increase in size and complexity rapidly, the cost of checkpointing in ML training became a bottleneck in storage and performance (time). For example, the latest GPT-4 model has massive parameters at the scale of 1.76 trillion. It is highly time and storage consuming to frequently writes the model to checkpoints with more than 1 trillion floating point values to storage. This work aims to understand and attempt to mitigate this problem. First, we characterize the checkpointing interface in a collection of representative large machine learning/language models with respect to storage consumption and performance overhead. Second, we propose the two optimizations: i) A periodic cleaning strategy that periodically cleans up outdated checkpoints to reduce the storage burden; ii) A data staging optimization that coordinates checkpoints between local and shared file systems for performance improvement.

machine learning, artificial intelligence↗
DOE OSTI2021

Exploring Covalency in the Actinides Using Soft Donor-Based Ligands and Metal-Ligand Multiple Bonding

Closing the fuel cycle is critical to the renaissance of nuclear energy in the United States. Essential in closing the fuel cycle is identification of separation strategies for actinides and fission products from spent fuels and identification of host matrices for storage or transmutation of fission products. These issues are intensified due to the complex nature of the problem (e.g., high radiation fields, high thermal fields, long half-lives of certain fission products). The use of extractor ligands with soft donor atoms has been demonstrated to selectively sequester actinides over their lanthanide counterparts. This has been presumed to be enhanced covalent bonding between the actinide 5f orbitals and the valence ligand-based orbitals; however, the coordination chemistry and reactivity with ligands containing selenium, tellurium, phosphorus, and arsenic are underdeveloped. Additionally, compounds containing actinide-ligand multiple bonding will be explored to examine pi-bonding with 5f orbitals. Efforts will be made to develop this chemistry with neptunium as well. This research explores the unique structure, bonding, and reactivity of the actinide elements while developing the underlying fundamental science involved in the separation of actinides.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Advanced Computing, Data Science, and Artificial Intelligence Research Opportunities for Energy-Focused Transportation Science

The Energy Efficient Mobility Systems (EEMS) technology landscape is complex and rapidly evolving, which provides both tremendous opportunities and formidable challenges. Significant alterations to the mobility landscape are underway due to the advent of vehicle and infrastructure connectivity, autonomous driving, and rapid passenger- and freight-vehicle electrification. Advanced computing will play an increasingly important role in enabling the EEMS program to understand and identify the most important levers to improve the energy productivity of future integrated mobility systems. It is also driving new approaches to mobility and the research to unlock an affordable, efficient, safe, and accessible transportation future. Driving much of this change is the collection, analysis, and strategic use of massive amounts of diverse, complex data from infrastructure and vehicles with on-board sensors and data storage and transmission capabilities. Diverse and representative data are key to implementing approaches to maximize mobility energy productivity. While high-fidelity modeling of integrated transportation networks has strengthened our understanding of dynamic movement and behavior patterns, existing tools must be expanded beyond their current focus. This work necessitates data infrastructure investments (e.g., secure-streaming data platforms driven by ubiquitous sensors and video analytics) as well as investments in critical capabilities for large-scale automated analysis and organization using modern machine learning, statistics, and artificial intelligence. Other chief needs include agile, large-scale storage that can be quickly searched and queried for relevant data to support validation and model development, data-sharing agreements, and formatting standards for key data types. The future of public transit must be explored in greater detail, research must inform design, and opportunities must be identified for improving the mobility productivity of public transit in both urban and rural America.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Perspective Chapter: Safe Disposal and Storage of Nuclear Waste

The use of nuclear energy inevitably generates nuclear waste as the byproduct of fission reactions. Depending on the initial composition of the fuel that goes into the reactor and the subsequent burn-up level, the chemistry of the resulting nuclear waste can vary substantially. This waste typically exhibits a broad spectrum of radioactivity and half-lives, making effective management one of the most critical challenges for global nuclear energy. This chapter provides a comprehensive overview of the origin and classification of nuclear waste and various strategies for its safe immobilization and disposal. The short- and long-term storage of waste with varying radioactivity is addressed. The significant technical and political complexities involving primarily long-term disposal are also discussed. To ensure the safe and permanent disposal of hazardous waste with extremely long half-lives, future efforts should focus on both technical innovation and public engagement.

36 MATERIALS SCIENCE↗
DOE OSTI2024

VPP Participation Models: What is the Objective?

Virtual power plants (VPPs) can provide grid services by aggregating and controlling many distributed energy resources. However, their design, operation, level of participation, and outcomes depend on the regulatory and market environments they operate in, DER owner preferences, grid service value, and technical capabilities (e.g., communications, forecasting, controls, user interfaces). Although VPPs are inherently complex, they could enable high shares of behind-the-meter solar plus storage and reduce the cost of electrifying, e.g., personal vehicles and space heating.

demand response↗
DOE OSTI2024

Chemical Framework to Design Linear-like Relaxors toward Capacitive Energy Storage

ABO 3 -type perovskite relaxor ferroelectrics (RFEs) have emerged as the preferred option for dielectric capacitive energy storage. However, the compositional design of RFEs with high energy density and efficiency poses significant challenges owing to the vast compositional space and the absence of general rules. Here, we present an atomic-level chemical framework that captures inherent characteristics in terms of radius and ferroelectric activity of ions. By categorizing A/B-site ions as host framework, rattling, ferroelectrically active, and blocking ions and assembling these four types of ions with specific criteria, linear-like relaxors with weak locally correlated and highly extendable unit-cell polarization vectors can be constructed. As example, we demonstrate two new compositions of Bi 0.5 K 0.5 TiO 3- based and BaTiO 3- based relaxors, showing extremely high recoverable energy densities of 17.3 and 12.1 J cm –3 , respectively, both with a high efficiency of about 90%. Further, the role of different types of ions in forming heterogeneous polar structures is identified through element-specific local structure analysis using neutron total scattering combined with reverse Monte Carlo modeling. Further, our work not only opens up new avenues toward rational compositional design of high energy storage performance lead-free RFEs but also sheds light on atomic-level manipulation of functional properties in compositionally complex ferroelectrics.

25 ENERGY STORAGE↗
DOE OSTI2024

The Polarity of Co-solvents Regulates the Charge Storage Mechanisms in Supercapacitors with Concentrated Electrolytes

Developing better energy storage devices depends on comprehending the underlying mechanisms involved in charge storage. With the continuous conception of new electrolytes, this task becomes progressively more urgent and complex. An example is the utilization of co-solvated concentrated solutions. While these show promising electrochemical responses, their dynamic properties (especially under confinement) and their relationships with performance are not fully understood. Here, we combined modified step potential electrochemical spectroscopy and quasielastic neutron scattering to investigate systems composed of activated mesoporous carbon (AMC) and concentrated solutions of lithium bis(trifluoromethanesulfonyl)imide in acetonitrile co-solvated with either toluene or acetone. Further, we report that acetone does not impair surface-controlled mechanisms, contrary to the case with toluene, which competes with charged species to populate the AMC’s pores without contributing to charge storage. In turn, toluene promotes a greater overall capacitance owing to Faradaic processes, which may be related to changes in the solvation structures under confinement.

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

Assessing Suitable Geologic Carbon Storage Sites Across Utah

Utah has a wealth of potential geological reservoirs for carbon dioxide storage (CS) and a long history of geologic research resulting in an abundance of available subsurface data to evaluate CS potential. Reservoirs may include sandstone, carbonate, and basalt; these rock types are plentiful in Utah’s subsurface and the complex Phanerozoic history throughout the state requires evaluating each geologic region individually for promising reservoir-seal pairs for CO2 storage. Classifying Utah by geologic provinces (or “geo-regions”) allows for customized thinking about suitable CS reservoir and seal distribution, CO2 point sources, land use, and existing infrastructure. Preliminary results from this study highlight the geologic CS potential across 15 geo-regions. Four regions stand out as having high CS potential: the Uinta Basin, San Rafael Swell, Paradox Basin, and the southern Basin and Range Province. The Uinta Basin and San Rafael Swell geo-regions are well suited for CS and have several projects ongoing to evaluate Cretaceous Frontier and Naturita Formations, Jurassic Navajo Sandstone and Entrada Sandstone, and Permian Weber Sandstone reservoir units that lie beneath robust sealing units like the ~5000-ft-thick Mancos Shale and Carmel Formation. Reservoirs such as the Navajo and Weber Sandstones have been demonstrated to be suitable reservoirs through a long history of oil and gas exploration in Utah. New areas of interest include the southern Basin and Range in southwest Utah, where the Jurassic Navajo Sandstone is overlain by the sealing Carmel Formation at suitable depths (>3000 ft), and has good porosities based on outcrop analogue data. Just to the north (e.g., central Basin and Range), legacy wells and 2D seismic data show possible salt and subsurface basalt flows that may provide additional possible CS reservoirs and seals. This geo-region also has the advantage of being coupled with geothermal energy resources that may be used to power burgeoning direct air capture technologies. In the Paradox Basin of southeastern Utah, the Leadville Limestone is a potential storage reservoir beneath the thick (4000–5000 ft), salt-bearing Pennsylvanian Paradox Formation. Although the northern and western parts of Utah offer CS potential, these areas typically contain less infrastructure and subsurface penetrations, creating geologic uncertainty associated with subsurface seals and reservoirs due to a lack of data. Overall, this statewide assessment and ranking is the first step to aid in evaluating CS potential across Utah and provides a foundation for future research in the most favorable locations.

58 GEOSCIENCES↗
DOE OSTI2024

A deep learning-based battery sizing optimization tool for hybridizing generation plants

Hybrid generation and energy storage systems offer the ability to increase flexibility of the combined asset. This flexibility can be used to increase provision of services already provided by the generation asset, such as timing sale of electricity to the energy market during high price periods, and also enable provision of additional services, such as ancillary services or contribute to resource adequacy. From a generation asset owner perspective, the decision to hybridize includes selecting an energy storage system that, among other factors, maximizes financial performance of the energy storage investment. Yet, existing tools to optimize energy storage sizing are either too rudimentary (i.e., based on “rules of thumb”) or too complex to implement (i.e., require specialized engineering and software knowledge and a high-performance computer to run). This work presents a novel deep learning-based battery sizing optimization tool that is designed to help generation asset owners easily assess preliminary sizing considerations for potential battery investments to hybridize their generation facility. The tool uses deep learning to predict revenue over a broad search space of potential battery sizes, estimates capital and operating costs (including accounting for battery degradation), and computes financial performance of each potential battery system investment, recommending a system with maximum financial performance. The tool is tested and validated for hydropower assets. Finally, this tool will help a greater cross-section of industry consider investments in battery systems, increasing their revenue and helping them compete in rapidly evolving electrify markets.

13 HYDRO ENERGY↗
DOE OSTI2022

Corrosivity Screening of Pyrolysis Bio-Oils by Short-Term Alloy Exposures. Laboratory Analytical Procedure (LAP), Issue Date: May 12, 2022

Bio-oils contain organic acids and oxygenated compounds that can lead to corrosion issues during bio-oil processing and storage. This Laboratory Analytical Procedure (LAP) allows for rapid screening of a bio-oil's corrosivity without the need for complex equipment and long-term exposures. A robust and repeatable method for assessing the corrosivity of bio-oils is necessary in order to remove materials degradation as an obstacle to research, upgrading, use and storage of bio-oils. This LAP involves the incubation of a representative alloy, 410 stainless steel (410 SS), specimen in bio-oil over a period of 48 hours at 50 degrees C in a sealed container. The corrosive species in the bio-oil react with and deplete alloy elements such as iron (Fe) and/or chromium (Cr) from the specimen into the bio-oil solution. The depletion of Fe and Cr from the specimen results in a significant mass loss that can be recorded. The mass loss is directly correlated to the corrosivity of a bio-oil. Examples of bio-oils in scope include the ones produced by fast pyrolysis and catalytic fast pyrolysis, as well as liquids produced from hydrothermal liquefaction.

09 BIOMASS FUELS↗
DOE OSTI2025

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↗
DOE OSTI2023

Electrolytes in Multiple-Phase Hydrogen Storage Reactions

Multiple-phase hydrogen storage materials such as metal alanates and borohydrides, and destabilized systems offer the possibility of high hydrogen storage capacity with favorable thermodynamics. However, the multiphase nature of these materials intrinsically limits the kinetics due to the required transport of species between phases, which are typically in dry powder form. To address this limitation, the influence of added electrolytes is explored. This approach is motivated by analogy with similar multiphase battery reactions that show reduced kinetic limitations while necessarily containing electrolytes. Previous experimental results showing improved kinetics for MgH2/Sn (using a LiBH4/KBH4 eutectic electrolyte) and NaAlH4 (using a diglyme electrolyte) are further analyzed in terms of this analogy. The results show that the analogy is useful and rate constants are increased. Importantly, the inclusion of an electrolyte also appears to alleviate the continuously decreasing rates with the extent of reaction, which is characteristic of many multiphase hydrides. Instead, reaction rates are approximately constant until near completion. Together, these effects can lead to >10× shorter overall reaction times. In addition, new results are presented for the hydrogenation of MgB2 using Li/K/CsI and Li/K/CsCl eutectic electrolytes, where >60% conversion to Mg(BH4)2 was demonstrated at 350 bar.

08 HYDROGEN↗
DOE OSTI2020

Update on Full-Scale Retrieval and Transfer System Testing for Pneumatic Conveyance of High-Level Calcine Waste - 20241

The Idaho National Laboratory processed spent nuclear fuel from 1953 to 1994. The process used solvent extraction to separate uranium, resulting in a liquid waste. A calcination process was used to convert the liquid waste to a high-level radioactive solid powder, referred to as calcine. The calcine is stored in stainless steel bins contained within concrete vaults called the Calcined Solids Storage Facilities. There are a total of seven CSSFs. The Calcine Retrieval Project is tasked with retrieving the calcine from the bins of CSSF 1 and pneumatically transferring it to the bins of CSSF 6. CSSF 1 was constructed to be a final calcine repository with no forethought of retrieval. It represents the greatest technical hurdle to calcine extraction of all the CSSFs. The challenges inherent with accessing the calcine, safely extracting it, and securely transporting it are copious and complex. Once the calcine is removed from CSSF1, that facility may be closed, reducing the footprint of waste storage at the INL. The same process for removing Calcine from CSSF1 may then be utilized to remove the calcine from the remaining CSSFs for final treatment and transport to a long-term storage facility. To overcome these inherent challenges with accessing CSSF 1 and extracting the calcine in a timely manner, a full-scale integrated mockup has been constructed. The mockup includes a full-size model of a concentric group of bins from CSSF 1 and a storage vessel representing CSSF 6. All essential elements of the transport design are represented in the Mockup, including motive and makeup air supply (air compressor), a replica of the CSSF6 cyclone, pre-filter, HEPA filter, vacuum pump, and retrieval control devices. Construction on the Mockup was completed in 2018 and testing began in February 2019. It has already proven very beneficial to the CRP. Experience in running the Mockup have aided in the development of retrieval and transport methodologies and the selection of process parameter values. It has also uncovered some unforeseen technological challenges and will continue to be valuable to the testing team as these hurdles are overcome and the process is proven effective. Operations personnel have also benefitted from its use as a training tool and will continue to use the Mockup as a simulator to reproduce problems encountered during extraction and transfer of Calcine from CSSF 1. The knowledge gained during this process will also be of continued benefit as future work is done to remove various types of calcine from the remaining CSSFs. The methodology of safe and secure transfer of radioactive material may be of benefit to others throughout the U.S. Department of Energy complex. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Peatland hydrology across scale: a probabilistic framework for confronting variability, heterogeneity, and uncertainty (Final Report)

Our project aimed to guide the representations of peatland hydrology and water-carbon feedbacks within Earth System Models, by improving process understanding and developing parsimonious models that elucidate the effects of hydroclimatic variability and spatial heterogeneity. Our research questions centered on the three key drivers of peatland hydrology: (1) seasonal and interannual hydroclimatic fluctuations, (2) spatial heterogeneity of peatland microtopography, and (3) hydrological connectivity across landscape units within a peatland watershed. Our analyses and model testing used existing long-term datasets within the Marcell Experimental Forest (MEF), with new data collected whenever necessary. To date, we have demonstrated the strong influence of water table elevations on the temperature sensitivity of CH 4 emissions, using a newly developed eddy covariance dataset spanning eleven years at MEF. Specifically, higher water tables dampen the increase in CH 4 emissions in the spring as well as their decrease in the fall, resulting in hysteresis. These results imply that any hydroclimatological changes in peatlands that shift seasonal water availability from winter to summer will increase annual CH 4 emissions, even if soil temperature remains unchanged. To further investigate water table elevation change within the peatland microtopography, we installed automated water table gauges across four bog-forest transects (the “lagg”) in two peatland watersheds at MEF, which are hotspots of intense biogeochemical activity. These measurements will give us new information about the extent of lagg expansion and contraction during snowmelt and high intensity rainfall events, as well as the directionality of water and nutrient flow into the bog from the surrounding forests. Finally, we investigated the hydrological connectivity across the peatland watershed complex during early spring – a critical period where water table is elevated from snowmelt – using extended hydrological records from MEF (e.g., snow and frost depths, water table elevations, streamflow). The importance of thermal and wintertime processes within the Energy Exascale Earth System Model (E3SM) was determined through sensitivity analyses. Results from data analyses show that (i) streamflow has decreased over decades likely due to increased evapotranspiration rates (despite no detectable trends in precipitation), (ii) spring streamflow generation is controlled by a sequence of fill-and-spill pathways from the snowpack to the stream through peatland water stores, and (iii) frost depth is a key explanatory variable for the timing and magnitude of streamflow. These results suggest that frost plays an important role in connecting surface water storage in peatlands to stream outlets, and that the hydrological connectivity across the peatland watershed complex can mediate the sensitivity of hydrological responses to climate variations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

A New Charged Lepton Flavor Violation Program at Fermilab

The muon has played a central role in establishing the Standard Model of particle physics, and continues to provide valuable information about the nature of new physics. A new complex at Fermilab, the Advanced Muon Facility, would provide the world's most intense positive and negative muon beams by exploiting the full potential of PIP-II and the Booster upgrade. This facility would enable a broad muon physics program, including studies of charged lepton flavor violation, muonium-antimuonium transitions, a storage ring muon EDM experiment, and muon spin rotation experiments. This document describes a staged realization of this complex, together with a series of next-generation experiments to search for charged lepton flavor violation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗