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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 217 records · Page 12

Dual Chemical Looping/Catalytic Process for Alkylation of Benzene With Ethane and Propane Yielding Ethylbenzene and Cumene Over Copper‐Containing Mordenite

Given the sustained demand for alkylated aromatics and the strained olefin market, there is an urgent need to develop efficient one‐step processes for the direct alkylation of aromatics using alkanes instead of olefins. Such technologies offer greater energy efficiency and sustainability by eliminating the need for separate, energy‐intensive alkane dehydrogenation steps. In this work, we report a dual chemical looping / catalytic process that couples alkane dehydrogenation with aromatic alkylation over a copper‐containing mordenite yielding up to 25% of alkylated aromatics with >97% selectivity per cycle. In situ MAS NMR and FTIR spectroscopies combined with DFT calculations showed that the alkylation of benzene with alkanes proceeds via a π‐bounded Cu(I)‐olefin intermediate, which subsequently interacts with benzene, catalyzed by Brønsted acid sites, leading to alkylated products that readily desorb from the active material into the gas phase. DFT calculations show that alkylation mediated solely by Cu(I) has prohibitively high barriers (>1.8 eV), whereas a bi‐functional pathway involving both Cu(I) and Brønsted acid sites can proceed with significantly lower barrier (0.8 eV) through a concerted C–C bond formation and proton transfer step.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Assessment of Technoeconomic Opportunities in Automation for Nuclear Microreactors

Achieving full decarbonization of all economic sectors remains a challenge, especially in niche markets. For example, remote communities and industrial or mining activities detached from the main electric grid heavily rely on fossil fuels, similar to urban and industrial microgrids with combined heat and power needs. A combination of renewables and energy storage is often not suitable due to cost, reliability, intermittency, and large storage requirements. Small nuclear reactors with a flexible purpose could serve these applications. Microreactors (MR) are a class of reactors that are compact, factory manufactured, transportable, and self-regulating. Typically, they generate much less power than their large reactor counterparts. The main advantages of microreactors include the versatile nature of the energy produced, the reliability of supply, and freedom from having to transport and store large quantities of fuels on-site, coupled with the absence of dependence on an electrical grid. A strong business case is needed to move from the microreactor prototype to the commercialization phase. In fact, fossil fuels are still relatively inexpensive, and in the near term, carbon credits will be available to virtually compensate for emissions. For microreactors, one of the main costs in operation and maintenance (O&M) is their staffing levels. In this study, we investigate how to optimize the number (and thus the cost) of workers, moving from a traditional, fully manned, on-site personnel approach to an unmanned, remote personnel approach. We examine four different staffing models that can be implemented as the technology matures and evolves. We estimate the staffing needs of each model and build a business case to justify the substitution of on-site personnel with adequate technologies. To do so, we propose a cost model to quantify potential cost reductions from automating O&M activities. The model accounts for both the reduction in cost derived from the reduced number of full-time-equivalent (FTE) employees and the increase in cost derived from the need to buy new control hardware as needed. Applying the cost model that we created to different scenarios, an on-site O&M cost reduction exceeding 80% can be expected. Additionally, we found that it is more impactful to focus on automating routine O&M tasks rather than attempting to automate transient management (shutdowns, restarts, monitoring condition deviations). In fact, transients typically account for less than 1% of the total FTE time spent on the reactors.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

The Potential and Cost of Carbon Dioxide Removal Using Direct Air Capture with Land-Based Wind and Utility-Scale Photovoltaics

The rapid deployment of direct air capture and storage (DACS) is critical for achieving emission targets, necessitating precise evaluation of the scale and cost of carbon dioxide removal. This study examines the availability of land, electricity generation, and geologic CO 2 storage within the United States, estimating a technical potential for low-temperature, adsorbent-based DACS to remove approximately 9 gigatonnes of CO 2 annually. By 2050, a substantial portion of this removal could be achieved at net-removed costs below $\$$300/tonneCO 2 , though costs are highly variable depending on factors such as facility scale, construction expenses, climate-dependent productivity and heating efficiency, and geologic storage conditions. In the short term, DACS deployment will help identify key research priorities for advancing technology and reducing removal costs. Concurrently, there is an urgent need for scientifically robust and standardized frameworks for monitoring, reporting, and verifying DACS performance across both established and emerging technologies and energy sources.

Carbon capture↗

Characterization of Porous Transport Layers Towards the Development of Efficient Proton Exchange Membrane Water Electrolysis

The current goals for implementing the hydrogen economy have highlighted a need to further optimize water-splitting technologies for clean hydrogen production. Proton exchange membrane water electrolysis (PEMWE) is a leading technology, but further optimizations of anode materials including the porous transport layer (PTL) and the adjacent catalyst layer (CL) are required to increase overall cell performance and reduce cost. This literature review describes advances in PTL development and characterization, highlighting early PTL characterization work and most common methods including capillary flow porometry and mercury intrusion porometry, optical imaging, neutron and x-ray radiography, and x-ray computed tomography. The article also discusses PTL protective coatings and their characterizations, focusing on platinum group metal (PGM)-based coatings, alternative non-PGM-based coatings, post-treated PTLs, and investigations into thin PGM-based coatings. Furthermore, it highlights the integration of the PTL and the adjacent CL along with associated characterization challenges. Lastly, this review discusses future developments in the characterization needed to improve PEMWE's performance and long-term durability are discussed.

08 HYDROGEN↗

2024 Sustainable Aviation Energy Conference: 5 Key Messages From the Accelerating Aerospace Technology Deployment Workshop

At the 2024 Sustainable Aviation Energy Conference, more than 100 aviation leaders gathered in Dallas, Texas, to discuss collaboration and research needed to clear the path to widespread adoption of sustainable aviation technologies. During open workshops, participants from state and federal agencies; airports; aircraft and engine manufacturers; liquid fuel producers; and other stakeholder groups brainstormed the biggest barriers and opportunities for realizing a sustainable aviation ecosystem. This fact sheets presents five key messages and discussion points that emerged during a workshop on accelerating aerospace technology deployment.

advanced air mobility↗

Demonstration and Evaluation of Explainable and Trustworthy Predictive Technology for Condition-based Maintenance

The domestic nuclear power plant (NPP) fleet has historically relied on labor-intensive and time-consuming predictive maintenance (PdM) programs, thus driving up operation and maintenance (O&M) costs to achieve high-capacity factors. Artificial intelligence (AI) and machine-learning (ML) can help simplify complex problems such as diagnosing equipment degradation to enable more effective decision-making efforts. The benefits of AI will be felt through more efficient plant O&M, improved work processes, and better integration of people and technology. Together, these benefits hold the promise to make nuclear power more sustainable by reducing O&M costs while improving employee engagement. While AI and ML technologies hold significant promise for the nuclear industry, there are challenges or barriers to their adoption. Explainability and trustworthiness of AI are two salient challenges that need to be addressed for wider deployment of these technologies in NPPs. This research focuses specifically on addressing the explainability and trustworthiness of AI technologies to advance the human, technical, and organization (HTO) readiness levels in adopting a risk-informed PdM strategy at commercial NPPs. In addition, this approach can be adapted to enhance the acceptability of AI in other nuclear applications with a few application-specific modifications. The technical approach ensuring wider adoption of AI technologies was developed by Idaho National Laboratory (INL)—in collaboration with Public Service Enterprise Group (PSEG), Nuclear, LLC—by utilizing the circulating water system (CWS) at two PSEG-owned plant sites for demonstration. Focused user studies were performed in collaboration with subject matter experts (SMEs) from PSEG and other nuclear domains to enhance human and organization readiness by building trust in AI-informed technologies. VIsualization for PrEdictive maintenance Recommendation (VIPER)—a Battelle Energy Alliance, LLC, copyrighted software—was developed and expanded to provide a user-centric visualization by incorporating inputs from the collaborating utility, human factors engineering guidelines, and data analysts. The VIPER software enables users, who may be unfamiliar with ML in general, to be interactively engaged by asking technical questions about PdM, work orders, diagnosis results and their confidence levels, the kind of data being used, and the types of ML algorithms employed. This interactive engagement enhances explainability and builds trust. One of the enabling accomplishments was the integration of large language models (LLMs), both text-based and vision-based, in the VIPER software.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Launch Alaska Transportation and Energy Accelerator (LATEA)

The Launch Alaska Transportation and Energy Accelerator (LATEA), funded through the U.S. Department of Energy Office of Technology Commercialization’s Energy Program for Innovation Clusters (EPIC),advanced deployment of innovative and efficient transportation and energy technology in Alaska from October 2021 through June 2025. The project was designed to leverage Launch Alaska’s accelerator model to identify, recruit, and support transportation technology companies with novel solutions to market needs while building the stakeholder networks, demonstration opportunities, and institutional capacity necessary to accelerate commercialization in one of the most challenging operating environments in the United States.

08 HYDROGEN↗

A unifying equation for fermentation sustainability across the titer-rate-yield landscape

Industrial fermentation is central to the sustainable production of fuels and chemicals, yet commercial viability of emerging technologies hinges on improving fermentation titer, rate, and yield (TRY). How these metrics shape system cost remains difficult to generalize due to complex interactions among feedstocks, fermentation, separations, catalytic upgrading, waste management, and facility design. Here, we systematically map theoretical fermentation performance spaces (formed by all potential TRY combinations) for 32 representative biomanufacturing facilities—spanning distinct choices for feedstocks, fermentation regimes and products, separations, and catalytic upgrading—by simulating and evaluating them (via techno-economic analysis, TEA) under uncertainty (600,000 Monte Carlo simulations) and across TRY combinations (7500 TRY combinations for each of 32 configurations). Across this wide design and thermodynamic simulation space, we find the relationship between fermentation TRY and system cost is captured by a simple, generalizable mathematical equation (R 2 of 0.992 − 1.000 across our simulations; 0.954 − 1.000 when validated against prior studies that used different tools). We use this equation to elucidate key drivers that shape cost sensitivity to fermentation performance, generating widely applicable insights. By demonstrating a unifying relationship governs the impact of fermentation on biomanufacturing economics, this work establishes a foundation for agile, holistically predictive, resource-efficient strategies to prioritize fermentation research and development needs and accelerate commercialization of emerging biomanufacturing technologies.

applied mathematics↗

Development of Next Generation Hierarchical Hybrid Cu-Si anode Batteries via Direct-Ink Writing Application: End of (6th) Month Report - November 2025

Sustainable renewable energy continues to be in dire need to effectively combat global warming. Emerging technology for electric vehicles/ devices remains in high demand that is not only lower in cost, more efficient, but safer in comparison to commercial materials on the market. Although first-generation lithium-ion batteries have exhibited extensive commercial application, conventional graphite no longer meets this increasing demand as an efficient anode material. Due to the fact that graphite has a subpar theoretical specific capacity (372 mAh g -1 ), thus significant limitations in rate capability (for potential faster charging at higher C-rates currently commercially available.). Alternatively, silicon has gained significant attention as a superior candidate to potentially surpass graphite. Due to silicon’s exceedingly high theoretical capacity (4,200 mAh g -1 ) in comparison to standard graphite, its abundance thus in turn it’s low-cost, in addition to exhibiting a significantly low working potential (< 0.4 V vs Li/Li + ). However, one of the main (and most detrimental) challenges is silicon’s tendency to expand in volume (> 300%) upon discharge as it begins the lithiation process. As a direct result, it causes not only for the particles to both crack and pulverize under mechanical stress as the volume continues to expand and contract during cycling. Upon assembling the cell, it needs to undergo ‘charging’ for initially discharging/ ‘activating’ the cell, otherwise commonly known as the ‘formation’ step. As a result a solid electrolyte interface (SEI) layer begins to form at the anode surface because some of the electrolyte begins to react during the formation process. However, this (SEI) layer is deemed as a ‘protective’ interlayer because in theory it prevents further reaction as the cell continues to cycle. However, due to the volume change it causes significant degradation at the interface. As cracking starts to occur at the anode surface, it results in a ‘new’ altered surface with each cycle that causes further reaction with the electrolyte as a byproduct quickly consuming active Li/ and more electrolyte. Thus, fracturing this ‘protective layer,’ causing significantly higher impedance as a result, and in turn a decline in capacity due to active Li-loss. In addition to the active material exfoliating off from the current collector, further contributing to the steady decline in capacity and overall performance. Current state of the art Si-anode batteries on the market range between a maximum content of 5-10 Si wt%. It has been previously reported Tesla has utilized SiO x -C anodes containing 5 wt% Si within their ‘Model 3/ Model X’ electric vehicles. However, more recent ‘Model 3’ vehicles have started to incorporate 10 Si wt%, in which they were able to increase their energy density upwards by approximately 30%. Recent effort has been focused on continuing to increase the wt% of Si being utilized, eventually to 100 wt% of Si, to maximize the energy density even further.

36 MATERIALS SCIENCE↗

ReEDS Performance Improvement

The Regional Energy Deployment System (ReEDS) is an open-source, spatially explicit, long-term capacity expansion model for the bulk electric power system of the contiguous United States, encompassing multiple scenarios with technological and political assumptions (see https://github.com/NREL/ReEDS-2.0). With the increased needs for capabilities, higher temporal and spatial resolutions to model the evolution of the power system with modern technologies and low-carbon pathways, ReEDS' model solution times have increased significantly from 4-6 hours in 2018 to 18-48+ hours in 2023 . Also, the model size for commonly-run ReEDS scenarios reached 22 and 28 million equations and variables, respectively. These runtimes can be especially challenging under certain scenario settings (e.g., very high temporal or spatial resolution) or with limited computational power. In this presentation, we will discuss several methods we used to improve model runtime, including data preparation, model modification, and solver tuning. The implementation of these methods shrank the model size to 7.2 and 7.3 million equations and variables, respectively. Furthermore, this led to a 77% reduction in the model's run time for commonly-run ReEDS scenarios. We will discuss the process of identifying areas for solve time improvements and how the specific enhancements for the ReEDS model might be applied to other similar large-scale models.

ENERGY PLANNING, POLICY, AND ECONOMY,MATHEMATICS A↗

Towards Marine Carbon Dioxide Removal (mCDR) Centers of Excellence

A diverse portfolio of carbon dioxide removal (CDR) technologies will be essential to meeting climate goals while supporting sustainable development. In particular, marine carbon dioxide removal (mCDR) methods can help diversify the existing portfolio, which currently relies heavily on engineered direct air capture systems for large-scale atmospheric removals. To fulfill their potential in the CDR ecosystem, these early-stage mCDR technologies require additional research and development. Here, we propose regional mCDR Technology Centers of Excellence that will provide inventors and developers with access to right-scale facilities and engineering expertise that will meet their needs wherever they are on the journey from bench- to pilot-scale development. To support innovation across the technological readiness level spectrum, these Centers will provide collaborative access to ocean-based mCDR testing sites; other opportunities for partnering with multidisciplinary experts in technology development and commercialization; provide meaningful pathways for integrated engagement with local industrial and regulatory systems; and help in developing tailored, impactful community benefit models. Ideal sites are co-located in areas with a favorable natural environment for testing mCDR, well studied baselines, accessible infrastructure for multidisciplinary marine research, and technology commercialization support. As a case study, we offer the Pacific Northwest as particularly suitable for a regional mCDR Technology Center of Excellence given existing and potential growth of all the characteristics of ideal sites listed above, and which could especially benefit from the region’s growing marine climate technology sector. Last, we offer a brief whole-of-government perspective for supporting and regulating these Centers of Excellence, including identification of mCDR Science Centers of Excellence to ensure that the development of mCDR technologies dovetails with much-needed advancements in oceanographic observation and simulation infrastructure.

54 ENVIRONMENTAL SCIENCES↗

Perspectives on Tailoring Neutron Energy Spectra in Material Test Reactors

Material test reactors (MTRs) are used to irradiate nuclear fuels and materials to develop data for how they endure neutron bombardment in or near reactor cores. Most historic MTRs, and all that remain operational in the US today, are water-cooled types and produce a thermalized neutron flux. New irradiation facilities are needed which can produce neutron energy spectra relevant to fast and fusion reactor environments. Construction of these facilities will take several years of steadfast funding to complete, which poses a formidable schedule challenge for current fast and fusion reactor developers. Irradiation designs which modify the neutron energy spectra delivered to test specimens in thermal spectrum MTRs, an approach referred to as “spectral tailoring”, can be used to approximate several relevant phenomena in the materials needed to enable fast and fusion reactor technologies. This approach is imperfect, but still valuable in the present situation. Here, the two highest flux MTRs operational in the United States, the Advanced Test Reactor (ATR) and High Flux Isotope Reactor (HFIR), have rich histories, ongoing developments, and new potentials for spectral tailoring that will be reviewed and discussed in this paper.

36 MATERIALS SCIENCE↗

Osmotic control of the spacing of parallel shear cracks in shale growing subcritically in geologic past

The geological genesis of natural cracks in sedimentary rocks such as shale is a problem that needs to be understood to improve the technology of hydraulic fracturing as well as deep sequestration of harmful fluids. Why are the vertical natural cracks roughly parallel and equidistant, and why is the spacing roughly 10 cm rather than 1 cm or 100 cm? Fracture mechanics of critical cracks cannot answer this question. Neither can the material heterogeneity. The growth of critical parallel cracks is impossible because the relative crack face displacements would immediately localize into one crack, leading to an earthquake. The cracks must have formed, on the tectonic time scale, by a slow growth of subcritical shear cracks governed by the Charles-Evans law. The idea advanced here is that what controls the crack spacing is the balance between the reduction, due to shear dilatancy, of the concentration of ions such as Na + and Cl - in each fracture process zone (PFZ), which decelerates the cracks, and the restoration of ion concentration by diffusion of ions from the space between the cracks into the FPZ. This diffusion of water is driven mainly by the osmotic pressure gradient, which offsets the deceleration and depends strongly on the crack spacing. A simple analytical solution of the steady state is rendered possible by approximating the ion concentration profiles between adjacent cracks by parabolic arcs. Applying this theory to Woodford shale yields the approximate crack spacing of 10 cm, which is realistic. Furthermore, the stability of unlimited parallel mode II frictional crack growth is proven by examining the second variation of the free energy. Water concentration drop in the FPZ due to shear dilatancy and its restoration by water diffusion from the inter-crack space have similar effect, although probably much weaker.

42 ENGINEERING↗

Dynamics of disordered intermediates during the two-electron alkaline MnO 2 conversion reaction for grid-scale batteries

Battery technologies beyond Li-ion are likely needed for extensive integration of grid-scale storage. The rechargeable Zn-MnO 2 chemistry has the potential for high sustainability, high safety, and low cost, using Earth-abundant basis materials. In an alkaline electrolyte, the MnO 2 cathode can cycle reversibly if modified by including a Bi-containing additive, although the cycling mechanism remains mostly unknown. This work presents an account of the intermediate species involved in the electrochemical transformation from layered δ-MnO 2 to Mn(OH) 2 and back. During charge, a disordered intermediate with a structure resembling layered β-MnOOH exists stably for an extended period, corresponding to a regime known to have unexpected electrochemical activity of Bi. During discharge, β-MnOOH exists only briefly and is never the majority material, revealing that the cycling mechanism is asymmetric. In conclusion, these findings represent a significant advance in mechanistic knowledge and can enable engineering to develop the system for commercial use.

36 MATERIALS SCIENCE↗

Mechanically Polishing Electroplated Nb3Sn for Higher Accelerating Gradients

As the demand for more efficient SRF technology continues to rise, so does the need to improve the performance of Nb3Sn, the most promising alternative to niobium. Leveraging recent breakthroughs in Nb3Sn research from Cornell University and Fermilab, namely the electrochemical synthesis-based growth of Nb3Sn and the centrifugal barrel polishing (CBP) technique to smoothen the final Nb3Sn film, our primary goal is to reduce surface roughness while preserving the film’s quality. We present promising RF results from an electroplated cavity that underwent mechanical polishing using the CBP technique, which showed an increase in the maximum accelerating gradient compared to the baseline test. However, contamination-induced Q-slope limited performance. Temperature mapping reveals quench location and heating response before, during and after quench.

Shpani, L. [Cornell U.]↗

Extraction and Analysis of Time Series Data from Building Automation Systems Using Large Language Models

Semantic schemas like Haystack 4, Brick and ASHRAE standard 223 enable the structured, standardized, and machine-readable representation of building data, facilitating interoperability, data integration, and advanced analytics. However, extracting information from these models requires specialized expertise in SPARQL and other programming languages, skills that are not commonly found among building professionals. Recent advancements in Large Language Models (LLMs), such as ChatGPT, enable the construction of queries using natural language, making it easier for individuals to interact with these systems in a manner that resembles everyday speech. However, these methods have not yet been tested on building semantic ontologies. This paper introduces a novel workflow and tool for enabling users to ask questions about a specific building's data, using natural language and receive answers automatically generated by GPT-4o. Our approach integrates semantic ontologies with advanced LLM capabilities to automate three critical steps: (1) generating SPARQL queries to retrieve time series references from ontological models, (2) extracting the corresponding time series data from the Building Automation System, and (3) performing computations and visualizations tailored to the user's query. The proposed method simplifies access to BAS data, allowing both domain experts and non-specialists to conduct sophisticated analyses without needing extensive technical knowledge of semantic web technologies. By demonstrating this pipeline, we facilitate more accessible and scalable data-driven decision-making in building operations and management.

Mulayim, Ozan Baris↗

Extending Ultrasonic Welding Techniques to New Material Pairs (FY 2023 Annual Progress Report)

Modern multimaterial vehicles require joining of various lightweight materials, such as aluminum (Al) and magnesium (Mg) alloys and carbon fiber reinforced polymers (CFRP), with advanced high-strength steels together to form a high-performance and lightweight body structure. A variety of joining methodologies (e.g., resistance spot welding, adhesive bonding, linear fusion welding, hemming, clinching, bolting, riveting) have been attempted by the automotive industry to join different materials. Often, these joining techniques are limited to only certain material combinations. For capital and operational cost, automobile original equipment manufacturers need to limit the number of joining technologies implemented on an assembly line.

36 MATERIALS SCIENCE↗

Metal-to-Ceramic Joining Methods to Support Development of Advanced Ceramic-Based CSP Components

The National Renewable Energy Laboratory, Missouri University of Science and Technology (MS&T), Massachusetts Institute of Technology (MIT), and Colorado School of Mines (CSM) collaborated to design, develop, and test a material concept at bench scale which will be used to achieve a ceramic-to-metal (C2M) joint between a selected metal HTF loop material and a selected ceramic material used by the Gen3 CSP technology pathway. The final joint assembly will need to possess sufficient mechanical properties to withstand static high-temperature (650 degrees-700 degrees C) and high-pressure (20 MPa) and thermal cycling (between 650 degrees C and 100 degrees C) conditions. The material concept consists of three key components: (1) a ceramic matrix composite (CMC) that serves as a compliant transition material aiming to mitigate the stresses due to the mismatch of coefficient of thermal expansion (CTE) from a direct ceramic-to-metal joint, (2) a metal-end joint utilizing a multi-principal element alloy (MPEA) with changing percentage of particle loading to bond the candidate metal to the CMC, and (3) a ceramic-end joint utilizing a glass ceramic to bond the candidate ceramic to the CMC.

14 SOLAR ENERGY↗