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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 685 records · Page 38

Enhancing Unknown Waveform Detection by Learning Intra and Inter-domain Dependencies with Advanced Attention Fusion Mechanisms

Detection of unknown waveforms in mission-critical communications is a crucial area of interest for the Department of Energy (DoE). Traditional methods and recent deep learning-based approaches often assume that the training set includes all possible classes, which is impractical for detecting new waveforms. This limitation gives rise to the problem of open-set recognition (OSR), which involves correctly identifying known classes while detecting and rejecting unknown or unseen classes. To address this limitation, we propose a novel dual-domain complex-valued neural architecture that jointly processes time-domain and frequency-domain signal representations using transformer mechanisms. A transformer model is a deep learning architecture that uses self-attention mechanisms to process and learn relationships in sequential data. Our model employs a cosine similarity loss to extract domain-specific features and incorporates a transformer architecture in the latent space to weigh the importance of different features from the time and frequency domains. The transformer layer includes stacked self-attention and cross-attention modules to learn intra-domain and inter-domain dependencies, creating a more holistic signal representation. An attention-based fusion module intelligently combines the time and frequency-domain features using multi-head attention, enabling the network to learn the optimal feature for each domain in each input signal. Quantitative results demonstrate the impact of these architectural choices on overall performance, showing significant improvement after incorporating self and cross-attention modules and using complex attention fusion over simple weighted fusion. Our ongoing work will focus on addressing the limitations of threshold-based OSR methods by developing a novel generative framework that integrates a conditional diffusion probabilistic model (DPM). DPM is a generative framework that learns to synthesize complex data by reversing a gradual noising process using a neural network trained to denoise step-by-step. Our goal is to leverage the inherent strengths of DPMs for identifying unknown signals more robustly. One primary advantage of using a DPM is its ability to provide a more reliable anomaly score based on the model's reconstruction error, rather than relying solely on classifier confidence. Additionally, the iterative denoising process of DPMs makes this approach naturally resilient to low Signal-to-Noise Ratio (SNR) conditions, where traditional methods often fail. By implementing this generative framework, we aim to enhance the model's capability to accurately detect unknown waveforms and maintain performance in challenging environments.

99 - GENERAL AND MISCELLANEOUS↗

Transitioning CO2-EOR Field to Dedicated CO2 Storage: Risk Considerations and Quantifications

Presentation slides on “Transitioning CO2-EOR Field to Dedicated CO2 Storage: Risk Considerations and Quantifications” for the CCUS 2025 conference held in Houston, Texas March 3-5, 2025. CO2 injection wells for enhanced oil recovery (EOR) are currently regulated as Class II wells under the U.S. Environmental Protection Agency’s (EPA) Underground Injection Control (UIC) program, while dedicated geological CO2 storage (GCS) wells are considered Class VI wells. The UIC classification of wells for a transitioning CO2-EOR facility has the potential to substantially impact the feasibility of operations. This paper reports a case study of risk assessment of this transition, including areas review, plume stability and pressure transient and its impacts in dedicated CO2 storage.

carbon storage↗

Effects of HLA single chain trimer design on peptide presentation and stability

MHC class I “single-chain trimer” molecules, coupling MHC heavy chain, β 2 -microglobulin, and a specific peptide into a single polypeptide chain, are widely used in research. To more fully understand caveats associated with this design that may affect its use for basic and translational studies, we evaluated a set of engineered single-chain trimers with combinations of stabilizing mutations across eight different classical and non-classical human class I alleles with 44 different peptides, including a novel human/murine chimeric design. While, overall, single-chain trimers accurately recapitulate native molecules, care was needed in selecting designs for studying peptides longer or shorter than 9-mers, as single-chain trimer design could affect peptide conformation. In the process, we observed that predictions of peptide binding were often discordant with experiment and that yields and stabilities varied widely with construct design. We also developed novel reagents to improve the crystallizability of these proteins and confirmed novel modes of peptide presentation.

59 BASIC BIOLOGICAL SCIENCES↗

Continual learning in the presence of repetition

Continual learning (CL) provides a framework for training models in ever-evolving environments. Although re-occurrence of previously seen objects or tasks is common in real-world problems, the concept of repetition in the data stream is not often considered in standard benchmarks for CL. Unlike with the rehearsal mechanism in buffer-based strategies, where sample repetition is controlled by the strategy, repetition in the data stream naturally stems from the environment. This report provides a summary of the CLVision challenge at CVPR 2023, which focused on the topic of repetition in class-incremental learning. The report initially outlines the challenge objective and then describes three solutions proposed by finalist teams that aim to effectively exploit the repetition in the stream to learn continually. The experimental results from the challenge highlight the effectiveness of ensemble-based solutions that employ multiple versions of similar modules, each trained on different but overlapping subsets of classes. This report underscores the transformative potential of taking a different perspective in CL by employing repetition in the data stream to foster innovative strategy design.

Class-incremental learning↗

Seismic isolation: A pathway to standardized advanced nuclear reactors

Standardizing advanced nuclear reactors is a pathway to substantially reducing their overnight capital cost and achieving parity with other power sources, including renewables and fossil fuels. The seismic load case has thwarted standardization of nuclear power plants because site-specific seismic hazard and local near-surface geology has triggered soil-structure-interaction analysis, design, equipment qualification, regulatory review, and licensing, ensuring that each build is different. To achieve standardized or site-independent certified advanced reactor designs, the impact of the seismic load case on the engineering and construction cost and time must be substantially mitigated. Seismic isolation is a mature technology that has been used for more than 30 years in non-nuclear sectors to substantially reduce earthquake demands in buildings and other infrastructure. In this paper, seismic isolation is used to enable standardization of advanced reactor designs, aimed at the complete re-use of a site-independent, certified design and repeated procurement of safety-class equipment. A pathway to standardized designs using seismic isolation is demonstrated for two fundamentally different advanced reactors: a molten salt reactor and a high temperature gas reactor. Each reactor building is equipped with three specialized pieces of safety-class equipment, namely, a reactor vessel, a steam generator, and a control rod drive mechanism housing that is attached to the reactor head. Analysis is performed per ASCE and ASME standards to design the buildings and the equipment for two base conditions: conventional (fixed base) and base isolated. The impact of the seismic load case is characterized for the reinforced concrete walls in the buildings and for the equipment, measured using vessel wall thickness and horizontal accelerations. Here the analysis results show that the fixed-base buildings, designed for a site of low seismic hazard (peak ground acceleration, PGA = 0.15 g) could be constructed at a site of much greater seismic hazard (PGA = 0.7 g) if seismic base isolation is employed. Importantly, the scope of the site-specific analysis, design, and qualification would be limited to the seismic isolators and the isolated substructure, drastically reducing plant-specific engineering, review, and licensing, and time to construction start. Regulatory challenges and opportunities with standardized reactor designs are identified.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Mid-height seismic isolation of equipment in nuclear power plants: Numerical simulations and design recommendations

Seismic isolation can mitigate earthquake demands on safety-class equipment and is being considered for application to some advanced nuclear reactors. For tall, slender vessels that could represent an advanced reactor, a steam generator or a heat exchanger, mid-height seismic isolation has been shown to be beneficial and practical. Here, this paper focuses on numerical modeling of a mid-height isolated tall, slender vessel with two primary goals 1) investigate and quantify the benefits of mid-height seismic isolation for a range of support structure stiffnesses, isolation systems, and seismic inputs, and 2) provide analysis and design recommendations for isolation of safety-class equipment. Results of response-history analysis were in good agreement with experimental measurements and demonstrated that mid-height isolation can substantially reduce seismic demands on tall, slender vessels for a range of support structure stiffnesses, isolation systems, and seismic inputs. Importantly, the reductions in horizontal spectral accelerations in the mid-height isolated vessel from the non-isolated condition were not affected by the stiffness of the support structure. Recommendations are made for analysis and design of isolated equipment and testing of isolators used for equipment protection in nuclear facilities, which are also applicable to other industries.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A self-supervised workflow for particle picking in cryo-EM

High-resolution single-particle cryo-EM data analysis relies on accurate particle picking. To facilitate the particle picking process, a self-supervised workflow has been developed. This includes an iterative strategy, which uses a 2D class average to improve training particles, and a progressively improved convolutional neural network for particle picking. To automate the selection of particles, a threshold is defined (%/Res) using the ratio of percentage class distribution and resolution as a cutoff. This workflow has been tested using six publicly available data sets with different particle sizes and shapes, and can automatically pick particles with minimal user input. The picked particles support high-resolution reconstructions at 3.0 Å or better. This workflow is a step towards automated single-particle cryo-EM data analysis at the stage of particle picking. It may be used in conjunction with commonly used single-particle analysis packages such as Relion , cryoSPARC , cisTEM , SPHIRE and EMAN2 .

2D class averages↗

Improving the Freight Productivity of a Heavy-Duty, Battery Electric Truck by Intelligent Energy Management

This project aimed to enhance the range and reduce the operating costs of battery electric Class 8 trucks traveling over 250 miles daily. This was achieved through the development and implementation of an intelligent-Energy Management System (i-EMS) that leverages vehicle and operations data, physics-aware machine learning algorithms, and vehicle-to-cloud (V2C) connectivity. The project hypothesized that advanced machine learning algorithms and real-time data analytics could significantly improve the energy efficiency and range of these trucks. Key objectives included developing a physics-aware machine learning algorithm, implementing an i-EMS with V2C connectivity and physics-aware spatial data analytics (PSDA), and validating the system’s effectiveness with fleet partners HEB Companies and Murphy Logistics. Extensive data collection from vehicle operations, including vehicle characteristics, road conditions, and payload, was conducted. A machine learning algorithm was developed to predict energy consumption and enable proactive decision-making. The i-EMS was implemented on two Volvo VNR BEVs, with operators receiving charging and routing recommendations. Charging stations were installed at depot locations in Texas and Minnesota, with an additional on-route charger in Minnesota. Significant findings included a 14% range improvement for Murphy Logistics on a highway-driving eco-route and a 22% range improvement for HEB Companies on a city-driving eco-route. The i-EMS utilized rule-based methods and physics-based algorithms to predict and reduce energy consumption, with real-time monitoring and analysis through V2C connectivity enabling proactive decision-making. The project demonstrated the feasibility and economic viability of battery electric Class 8 trucks for long-haul operations, showcasing the potential of physics-aware machine learning in optimizing energy management. The successful implementation of the i-EMS in real-world scenarios validates its practical application and effectiveness, paving the way for the widespread adoption of battery electric vehicles in the freight transportation industry.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Wyoming CarbonSAFE Phase III: Site Characterization and Permitting Commercial-Scale Carbon Storage Complex Feasibility Study at Dry Fork Station, Wyoming

This report presents the findings of the technical and non-technical site characterization and permitting activities (“Phase III”) conducted under the Wyoming CarbonSAFE: Accelerating CCUS Commercialization and Deployment at Dry Fork Power Station (DFS) and the Wyoming Integrated Test Center project (“Wyoming CarbonSAFE”). Wyoming CarbonSAFE is part of the U.S. Department of Energy’s (DOE) National Energy Technology Laboratory (NETL) Carbon Storage Assurance Facility Enterprise (“CarbonSAFE”) Initiative. The results of Phase III demonstrate that the Wyoming CarbonSAFE project - referred to as the Northern Powder River Basin Carbon Sequestration Hub (NPRB-CSH) - meets the technical, regulatory, and commercial feasibility requirements necessary to advance toward commercial development and construction. The activities completed under this project Phase make the NPRB-CSH one of the region’s most commercially ready carbon storage sites. Completion of this Phase included the finalization of all site surface and subsurface characterization activities, completion and testing of two Class VI standard wells, 10 draft Class VI permits-to construct to address the future needs of a storage complex, finalized NEPA assessments, transportation and capture FEED studies, and a full commercialization strategy with economic modeling, operation and site closure strategies. The NPRB-CSH meets all requirements to progress to a CarbonSAFE Phase IV program or advance to full commercial operations under the development of a business partner.

01 COAL, LIGNITE, AND PEAT↗

Ghostbusters for Batteries

End-of-life lithium-ion batteries are Class 9 hazardous materials due to flammability of electrolyte and lithium. It is why the transportation cost ranges from $2.49/kg - $7.20/kg for civilian and defense disposition, that is over 50% of the cost of recycling. Damaged batteries have many times greater transportation cost. Dead batteries require costly bunker-storage that occupies real estate and personnel that could be used for productive purposes. Insurance is expensive and accidents are almost assured even with relatively low volumes of waste. Tipping fees on top of this adds an unpredictable, inflated cost for the EV industry, which is very cost sensitive for survival. Transforming lithium-ion into a class of non-hazardous material reduces transportation cost to $0.10/kg, providing a value opportunity of ~$2/kg to ~$6/kg for civilian and defense disposition respectively. OnTo can eliminate the risk of thermal runaway with a brief, non-toxic treatment to eliminate flammability and toxic risks in most any battery, except Pb, which is inherently toxic. With the service, OnTo also can provide rigorous certainty that cells are rendered inert. OnTo’s patented and patent pending deactivation technology improves the cost and safety for disposition of end-of-life lithium-ion battery packs and cells. Deactivation uses non-toxic chemical processing to remove inherent risks in lithium-ion and other primary and secondary chemistries. The technology has been demonstrated and developed through DOE contract with OnTo Technology LLC (EE0008475).

25 ENERGY STORAGE↗

The future of subsurface monitoring: AEC’s breakthroughs in CCS technology

Carbon capture and storage (CCS) has emerged as a key solution in the fight against climate change. However, for CCS to succeed, it is crucial to ensure that the sequestered CO2 stays safely trapped underground. The U.S. Department of Energy (DOE) has emphasized the need for advancements in subsurface monitoring, measurement, reporting, and verification. Aside from caprock integrity failure, the other primary failure points usually involve defective cement in the casing annulus of wellbores or plugged and abandoned wells. In addition, many energy producers (e.g., oil and gas, geothermal) and storage and disposal operators (e.g., H2 and water) must deal with the same issue. Poorly placed or degraded cement can create pathways for gas or fluid to escape from casing annuli and in plugged and abandoned or orphan wells, posing environmental risks. Yet, a reliable and cost-effective way to monitor cement and well integrity over multiple decades is still unavailable. Traditional geophysical methods like 4D seismic imaging and surface-based electromagnetic monitoring lack the resolution and accuracy for detecting these types of failures (Vasco et al., 2022; Fawad and Mondol, 2021). Wireline logging is expensive to run continuously and is obtrusive to the operation. While fiber optics can potentially be a solution, its bulkiness can significantly compromise the cement's integrity. To address these challenges, the Advanced Energy Consortium (AEC) at The University of Texas at Austin’s Bureau of Economic Geology (the Bureau) has been pioneering research in subsurface monitoring using its portfolio of distributed autonomous microfabricated sensors for harsh subsurface environments since 2008. A class of these microsensors [System on a Chip (SoC)] can be mixed in cement and permanently placed without compromising the cement column; the sensors would then communicate with each other or a data acquisition (DAQ) master node. Another class of the AEC microsensors can be fully autonomous, with rechargeable micro-batteries capable of exceeding 100°C, flash memory, and, currently, a pressure and temperature sensor. They are designed to circulate in mud, geothermal fluids, U-loops, or pipelines. They can log data into memory and are unobtrusive to operations. Our team has been working on a multi-year DOE-funded project (DE-FE0031856)—supported by $2.95M in federal funding and $0.75M in cost-matching from the AEC—to demonstrate SoC sensor utility for CO2 leakage monitoring in CCS applications. This multi-institutional collaboration developed a novel sensing architecture utilizing radiofrequency (RF) microsensors embedded within the cement sheath. These sensors detect CO2 migration and are interrogated via a Smart Casing Collar (SCC).

58 GEOSCIENCES↗

Aggregation of Leslie matrix models with application to ten diverse animal species

Some grouping is necessary when constructing a Leslie matrix model because it involves discretizing a continuous process of births and deaths. Here, the level of grouping is determined by the number of age classes and frequency of sampling. It is largely unknown what is lost or gained by using fewer age classes, and I address this question using aggregation theory. I derive an aggregator for a Leslie matrix model using weighted least squares, determine what properties an aggregated matrix inherits from the original matrix, evaluate aggregation error, and measure the influence of aggregation on asymptotic and transient behaviors. To gauge transient dynamics, I employ reactivity of the standardized Leslie matrix. I apply the aggregator to 10 Leslie models developed for animal populations drawn from a diverse set of species. Several properties are inherited by the aggregated matrix: (a) it is a Leslie matrix; (b) it is irreducible whenever the original matrix is irreducible; (c) it is primitive whenever the original matrix is primitive; and (d) its stable population growth rate and stable age distribution are consistent with those of the original matrix if the least squares weights are equal to the original stable age distribution. In the application, depending on the population modeled, when the least squares weights do not follow the stable age distribution, the stable population growth rate of the aggregated matrix may or may not be approximately consistent with that of the original matrix. Transient behavior is lost with high aggregation.

54 ENVIRONMENTAL SCIENCES↗

Characterization of the thermophilic xylanase Fsa02490Xyn from the hyperthermophile Fervidibacter sacchari belonging to glycoside hydrolase family 10

Fervidibacter sacchari is an aerobic hyperthermophile belonging to the phylum Armatimonadota that degrades a variety of polysaccharides. Its genome encodes 117 enzymes with one or more annotated glycoside hydrolase (GH) domain, but the roles of these putative GHs in polysaccharide catabolism are poorly defined. Here, we describe one F. sacchari enzyme encoding a GH10 domain, Fsa02490Xyn, that was previously shown to be active on Miscanthus, oat β-glucan, and beech-wood xylan, with optimal activity at 90-100 °C. We show that Fsa02490Xyn is also active on birch-wood xylan and gellan gum. The pH range on beech-wood xylan was 4.5 to 9.5 (pHopt 7.0-8.0). Fsa024940Xyn had a Km of 2.375 mm, Vmax of 1250 μm·min-1, and kcat/Km of 1.259 × 104 s-1·m-1 when using a para-nitrophenyl-?-xylobioside assay. A phylogenetic analysis of GH10 family enzymes revealed a large clade of enzymes from diverse members of the class Fervidibacteria, including Fsa02490Xyn and a second enzyme from F. sacchari, with apparent horizontal gene transfer within Fervidibacteria and between Fervidibacteria and thermophilic Bacillota. This study establishes Fsa02490Xyn as a hyperthermophilic GH10 enzyme with endo-β-1,4-xylanase activity and identifies a large clade of homologous GH10 enzymes within the class Fervidibacteria. Impact statement The depolymerization of xylan at high temperatures is important because this process limits the degradation of polysaccharides in nature and the synthesis of biofuels from plant wastes. Our study is also important because F. sacchari is one of only a few cultivated members of the Armatimonadota, which are polysaccharide-degradation specialists.

Armatimonadota↗

Fluorination-Enhanced Surface Stability of Cation-Disordered Rocksalt Cathodes for Li-Ion Batteries

Cation-disordered rocksalt (DRX) materials have emerged as a class of novel high-capacity cathodes for Li-ion batteries. However, commercialization of DRX cathodes will require reducing their capacity decay, which has been associated with oxygen loss during cycling. Recent studies have shown that fluorination of DRX cathodes can effectively reduce the oxygen loss and improve the cycling stability; however, the underlying atomic-scale mechanisms remain elusive. Herein, using a combination of electrochemical measurements, scanning transmission electron microscopy, and electron energy loss spectroscopy, we examine the correlation between the electrochemical properties and structural evolution in Mn-redox-based DRX cathodes, Li1.2Ti0.4-xMn0.4+xO2.0-xFx (x = 0 and 0.2). We find that fluorination strongly suppresses structural amorphization and void formation initiated from the particle surface, therefore greatly enhancing the cyclability of the cathode. We further reveal a novel rocksalt-to-spinel-like structural transformation in the DRX bulk, which surprisingly contributes to a gradual capacity increase during cycling. Our results provide important insight for the design of novel DRX cathodes with high capacity and long cycle life.

Li, Linze↗

Benzimidazole Based Hole‐Transporting Materials for High‐performance Inverted Perovskite Solar Cells

Abstract Interfaces play a decisive role in perovskite solar cells’ power conversion efficiency and their long‐term durability. Small‐molecule hole‐transporting materials (HTMs) have grabbed enormous attention due to their structural flexibility, material properties, and stabilities, allowing for improved operational durability in perovskite photovoltaics. This study synthesizes and investigates a new class of benzimidazole‐based small molecules, named YJS001 and YJS003 , serving as the HTMs to enable high‐efficiency mixed‐cation mixed‐halide perovskite solar cells. The benzimidazole‐based materials are dopant‐free HTMs composed of donor and acceptor building blocks that are designed to engineer the energy level alignment near the HTM/perovskite interface. Mixed‐cation mixed‐halide perovskites can be grown uniformly on both HTMs with large crystalline grains. It is discovered that the donor‐rich YJS003 ‐based solar cell exhibits a high open‐circuit voltage of 1.09 V with a champion power conversion efficiency of over 20%. Power‐dependent current–voltage characteristics of the solar cells are analyzed, from which the high performance of YJS003's excellent hole mobility and well‐aligned energy level is attributed. This work introduces a new class of benzimidazole‐based small molecules as HTMs, that paves the path for dopant free interface material development for commercialization of perovskite solar cells.

14 SOLAR ENERGY↗

Application of Ibuprofen Sodium Dihydrate for Thermochemical Energy Storage

Thermochemical energy storage (TCES) offers a transformative approach to address grid instability by harnessing reversible chemical reactions for efficient heat storage and release. Here, we introduce pharmaceutical organic salt hydrates as a class of materials with exceptional performance for low-grade waste heat recovery. We demonstrate ibuprofen sodium dihydrate (ISD) as an example organic hydrate exhibiting a dehydration temperature range of 60-110 °C and a remarkable dehydration enthalpy of up to 59.5 kJ/mol of water, ideally suited for capturing industrial and residential waste heat. Using rigorous multimodal characterization, including thermogravimetric analysis, differential scanning calorimetry, in-situ FTIR, in-situ PXRD, and NMR, we demonstrate ISD's superior thermal, chemical, and structural stability over 150 hydration-dehydration cycles, achieving an unprecedented cycling efficiency of ~99.9%. Compared to conventional inorganic salt hydrates like strontium chloride hexahydrate and calcium oxalate monohydrate, ISD showcases enhanced durability without deliquescence or pulverization, even under high-humidity conditions. In-situ analyses confirm the transition from ISD to ibuprofen sodium anhydrous (ISA) proceeds with structural reorganization, thereby combining the dehydration mechanism with phase transitions, resulting in higher energy storage capacity. Microstructural analyses reveal that repeated water intercalation and structural transitions aid in creating significant porosity that enhances water transport kinetics, further improving the hydration/dehydration performance. By combining the phase change and chemical dehydration mechanisms, ISD paves the way for designing a new class of organic salt hydrates, offering tunable properties to meet diverse thermal energy storage demands and supporting sustainable grid resilience.

Thangaraj, Kavin C.↗

Lithium Iron Aluminum Nickelate, LiNi x Fe y Al z O 2 —New Sustainable Cathodes for Next–Generation Cobalt–Free Li–Ion Batteries

In recent years, cobalt has become a critical constraint on the supply chain of the Li-ion battery industry. Here, with the ever-increasing projections for electric vehicles, the dependency of current Li-ion batteries on the ever-fluctuating cobalt prices poses serious environmental and sustainability issues. To address these challenges, a new class of cobalt-free materials with general formula of LiNi x Fe y Al z O 2 ( x + y + z = 1), termed as the lithium iron aluminum nickelate (NFA) class of cathodes, is introduced. These cobalt-free materials are synthesized using the sol–gel process to explore their compositional landscape by varying aluminum and iron. These NFA variants are characterized using electron microscopy, neutron and X-ray diffraction, and Mössbauer and X-ray photoelectron spectroscopy to investigate their morphological, physical, and crystal-structure properties. Operando experiments by X-ray diffraction, Mössbauer spectroscopy, and galvanostatic intermittent titration have been also used to study the crystallographic transitions, electrochemical activity, and Li-ion diffusivity upon lithium removal and uptake in the NFA cathodes. NFA compositions yield specific capacities of ≈200 mAh g -1 , demonstrating reasonable rate capability and cycling stability with ≈80% capacity retention after 100 charge/discharge cycles. While this is an early stage of research, the potential that these cathodes could have as viable candidates in next-generation cobalt-free lithium-ion batteries is highlighted here.

25 ENERGY STORAGE↗