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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 991 records · Page 55

DeePKS-kit: A package for developing machine learning-based chemically accurate energy and density functional models

We introduce DeePKS-kit, an open-source software package for developing machine learning based energy and density functional models. DeePKS-kit is interfaced with PyTorch, an open-source machine learning library, and PySCF, an ab initio computational chemistry program that provides simple and customized tools for developing quantum chemistry codes. It supports the DeePHF and DeePKS methods. In addition to explaining the details in the methodology and the software, we also provide an example of developing a chemically accurate model for water clusters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Evaluation of Triphenyl Phosphate as a Flame Retardant Additive to Improve the Safety of Lithium-Ion Battery Electrolytes

NASA is actively pursuing the development of advanced electrochemical energy storage and conversion devices for future lunar and Mars missions. The Exploration Technology Development Program, Energy Storage Project is sponsoring the development of advanced Li-ion batteries and PEM fuel cell and regenerative fuel cell systems for the Altair Lunar Lander, Extravehicular Activities (EVA), and rovers and as the primary energy storage system for Lunar Surface Systems. At JPL, in collaboration with NASA-GRC, NASA-JSC and industry, we are actively developing advanced Li-ion batteries with improved specific energy, energy density and safety. One effort is focused upon developing Li-ion battery electrolyte with enhanced safety characteristics (i.e., low flammability). A number of commercial applications also require Li-ion batteries with enhanced safety, especially for automotive applications.

Li-ion batteries↗

Low-Cost High-Power Anodes for Electric Vehicle Batteries

Saratoga Energy has developed a system for making graphite from carbon dioxide. LBNL has experience in benchmarking graphites for Li-ion battery applications. In half cells, we tested graphites for their reversible capacity and their rate capability. They used this data to support a phase II proposal that was funded by DOE to scale up their best material and test in larger cells.

25 ENERGY STORAGE↗

Development of Fast Decay-Energy Spectroscopy With Magnetic Microcalorimeters

Decay energy spectroscopy (DES) is an increasingly important radiometric technique arising from the unique thermal detection physics and the precision of low-temperature microcalorimetry. DES can enable high-precision analysis of very small amounts of radioactive material with simple and rapid sample preparation, making it a key new tool for nuclear safeguards, nuclear forensics, the improvement of nuclear data, measurements of absolute activity, and other applications. For problems in nuclear safeguards and nuclear forensics it is highly desirable to increase the count rates achievable in DES, while maintaining simple and rapid sample preparation. Here, in this report, we describe progress in a new project to achieve high count rates in DES by taking advantage of the physics of magnetic microcalorimetry. We describe the results of initial modeling and experiment to validate the idea, a sample fabrication technique suitable for nuclear materials laboratories, the preparation and initial tests of paramagnetic Au-Er alloy in thin foil form, and the development of a sensing coil geometry that will perform well with the increased-thickness sensor used in the new technique.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Development of an Advanced Hydrogen Energy Storage System using Aerogel in a Cryogenic Flux Capacitor

The Cryogenic Flux Capacitor (CFC) is a cold, dense fluid storage core with integrated design features that afford the designer flexibility and provide new possibilities for the storage and discharge of energy. The stored energy, in this case, is represented by hydrogen physically bonded within the nanoscale pores within the aerogel composite blanket material, and the process of bonding or debonding is governed by the principles of physical adsorption (physisorption) and thermodynamics. The large surface area afforded by the nanoporous aerogel (~1,000 m 2 /g) allows for storage densities close to, or in some cases exceeding, that of normal boiling point liquids. Its performance easily exceeds what can be achieved via ambient temperature and high-pressure gas storage for an equivalent volume. CFC storage is predicted to be easily scalable, constructed from readily available commercial materials, and lends itself to a range of pressure applications. The project team designed and manufactured the CFC, integrating it into a set of temperature-controlled flow loops. The CFC test setup was validated against existing data from previous NASA work. Tests used bottled hydrogen gas for test validation. A cryogenic fluid, nitrogen, flowed through a metered control system. Hydrogen temperature, pressure, and flow rates, as well as the temperature control targets, provided all necessary control targets. The team analyzed the recorded data and updated the Technology Maturation Plan based on the results of the test, making recommendations for a follow-up test, scale-up, and maturation pathway. For the engineering development and maturation of CFC hydrogen storage technology, a Techno-Economic Assessment (TEA) and Commercialization Plan for the integration of this technology with various power generation assets were produced. A companion analytical model was developed, experimentally validated, compared against performance metric, and used to tune the model and scale up the technology.

08 HYDROGEN↗

No Need to Wait for the Clean Air Dividend

Controlling smog and soot is the classic win-win situation, so it's great that the world is finally waking up to the idea. WHAT if there was a way to simultaneously slow down climate change, save millions of lives, improve crop yields and contribute to sustainable development and energy security? It sounds too good to be true, but it is possible. It won't be free or easy, but with some effort and moderate investment, it can be done. The way to do it is to reduce emissions leading to two types of pollution: black carbon and ozone. These are the only pollutants that we know contribute to both global warming and poor air quality. Black carbon is essentially soot, emitted from incomplete combustion of fossil fuels and biomass. It warms the climate in two ways: by absorbing heat in the atmosphere - similar to the greenhouse effect - and by reducing Earth's albedo, or ability to reflect sunlight. Inhaled into the lungs, it leads to cancer and cardiovascular disease. Ozone in the atmosphere also acts as a greenhouse gas, while ground-level ozone is toxic to humans and plants, so leads to both premature death and reduced crop yields. Ozone is not emitted directly but is produced by the action of sunlight on other pollutants, which are known as ozone precursors. Since black carbon and ozone are important components of soot and smog, a great deal of effort has already been put into developing methods to reduce emissions. So effective technology is available, but needs wider implementation. The recommended control measures for black carbon include widespread and tight emission standards on diesel cars and trucks; improved solid fuel cooking stoves, brick kilns and coke ovens in the developing world; and a ban on the open burning of agricultural waste. Implementation of these measures would have a rapid impact on the climate and human health, and also have the added benefit of greatly reducing emissions of carbon monoxide, an important ozone precursor. A second key ozone precursor is methane, which is also a powerful greenhouse gas in its own right. Control measures include reducing leaks from natural gas pipelines and storage tanks, and capturing it from coal, gas and oil extraction, landfills and wastewater treatment plants. Aeration of rice paddies and manure management can also reduce methane releases. Captured methane can often be sold or turned into power. In Monterrey, Mexico, for example, electricity generated from methane collected from the city landfill powers the public transportation system. So such measures can be beneficial even when ignoring the health and climate effects, as they can contribute to energy security and often pay for themselves. According to calculations by me and my colleagues, phasing in all these measures over the next 20 years would reduce global warming by about 0.5 degC in 2050, half of the projected increase between now and then (Science, vol 335, p 183). Regional benefits would be even greater, as black carbon disrupts rainfall patterns and magnifies warming and melting of snow and ice in parts of the world including the Arctic and the Himalayas. On top of the climate benefits, cutting black carbon and ozone would prevent over 3 million premature deaths from air pollution, and increase yields of staple crops by roughly 50 million tonnes a year. Improved cooking stoves would also decrease the demand for firewood in the developing world, reducing deforestation and freeing up time for those who collect wood - primarily women and children - to pursue other activities such as education. Similarly, improved brick kilns now being used in parts of Latin America and Asia require half as much fuel as traditional ones and are less time-intensive for the operators. This means that in addition to their environmental benefits, these measures can contribute to sustainable and human development. Tackling black carbon and methane is clearly a great idea, so why hasn't it been done already? There are many barriers. The upfront costs of some measures can be prohibitive even when they eventually pay for themselves. But this can be overcome by mechanisms such as international financing of capital costs. For other measures, the costs are typically borne by a few while the benefits accrue to everybody. In such cases civil society and governments must get involved. Governments are starting to act. In February, the US, Canada, Sweden, Bangladesh, Ghana and Mexico launched the Climate and Clean Air Coalition to support implementation of measures like these. This coalition will hopefully expand and achieve rapid, widespread adoption of measures to cut black carbon and ozone. While the climate benefits will be substantial, it is important to note that these measures cannot substitute for cuts in carbon dioxide. Black carbon, ozone, carbon monoxide and methane stay in the atmosphere for a fairly short time - a few days for black carbon and about a decade for methane. They thus respond quickly to emissions changes and give us substantial leverage over near-term climate change. In contrast, carbon dioxide is very long-lived and so responds slowly to emissions changes. This means that cuts have little immediate impact, but it also means they must be made now to avoid disastrous changes later on. Controlling short-lived climate pollutants is thus an issue of fairness. Much as failure to reduce carbon dioxide emissions soon would condemn future generations to disastrous change, failure to reduce near-term climate change condemns those alive today to suffer worsening effects of the sort already seen. Some wonder if we really can do both. We can, and we must.

Shindell, Drew↗

Urban Traveler - Changes and Impacts: Mobility Energy Productivity (MEP) Metric

For nearly a century, the automobile has been the primary mode of personal transportation in American life. This remains true today as millions of people rely heavily on cars to connect suburbs with cities or to travel long distances—often out of routine or convenience. However, advances in technology are fueling an era of transportation transformation, with the potential to transform a system that has remained virtually unchanged for decades. Aspiring smart cities are wrestling with questions such as: How does mobility impact a person’s quality of life? Would people make different travel choices if they were presented with better information about their mobility options? The ability to quantify the mobility potential of a given location is the first step toward answering these questions. In response, an interdisciplinary team at the National Renewable Energy Laboratory (NREL) has developed the Mobility-Energy Productivity (MEP) metric. The MEP metric provides an avenue to not only measure the mobility potential at a specific location in its current configuration, but also to test how various technological advances (e.g., connected and automated vehicles, plug-in electric vehicles, shared mobility) and infrastructure investments (e.g., building an additional highway lane, constructing a new shopping mall, implementing a transit-oriented development) impact the mobility of that location over time. This presentation details the FY19 progress on the MEP metric project funded through DOE VTO's SMART Mobility Consortium.

47 OTHER INSTRUMENTATION↗

Fossil Energy in the Hydrogen Economy – A Carbon-Water-Energy Nexus Adaptive Evaluation Platform

This project develops tools to evaluate fossil energy within the hydrogen economy. In particular, the project seeks to explore the Carbon-Water-Energy Nexus and develop adaptive evaluation tools. The primary goal of this project was to evaluate fossil-based hydrogen production methods with an emphasis on their sustainability, particularly with respect to carbon emissions and water use. The overall technical objectives that guided this evaluation consisted of 1) technology assessment, which sought to establish a comprehensive baseline of existing and emerging technologies for the generation, transportation, storage, and end use of hydrogen derived from fossil fuels, 2) carbon footprint analysis through quantification and analysis of carbon emissions associated with these hydrogen technologies, and identification of novel strategies and technologies that can effectively mitigate the carbon footprint, 3) water intensity assessment by evaluating the water needs (water-energy nexus) associated with different fossil fuel-based hydrogen technologies and proposing strategies to reduce water use, thus ensuring sustainable resource management, and 4) review of regulatory, policy and economic trends were examined to provide an overview of the factors influencing the adoption and integration of fossil fuel-derived hydrogen technologies into current energy markets. Beyond the technical outcomes, this project contributed to 5) education and workforce development through targeted training and educational opportunities for engineering students, preparing the next generation of professionals with technical, economic, and regulatory expertise in the hydrogen economy. Ultimately, this effort was intended to train the future workforce to provide useful insights to policymakers, industry stakeholders, and the broader energy community to facilitate informed decisions and responsible development within the hydrogen economy.

08 HYDROGEN↗

2020 State of the Science Report, Chapter 13: Risk Retirement and Data Transferability for Marine Renewable Energy

Commercial-scale marine renewable energy (MRE) developments continue to progress slowly, in part because of complicated consenting/permitting (hereafter consenting) processes that invoke the precautionary principle within environmental legislative frameworks. This can lead to broad, poorly scoped environmental assessments, lengthy and expensive environmental data collection requirements, and extended consenting timelines. Much of this delay is associated with uncertainty about the potential effects of MRE on marine animals and habitats. https://tethys.pnnl.gov/publications/state-of-the-science-2020-chapter-13-risk-retirement

16 TIDAL AND WAVE POWER↗

Low Temperature Double-layer Capacitors with Improved Energy Density: An Overview of Recent Development Efforts

Electrochemical double-layer capacitors are finding increased use in a wide range of energy storage applications, particularly where high pulse power capabilities are required. Double-layer capacitors store charge at a liquid/solid interface, making them ideal for low temperature power applications, due to the facile kinetic processes associated with the rearrangement of the electrochemical double-layer at these temperatures. Potential low temperature applications include hybrid and electric vehicles, operations in polar regions, high altitude aircraft and aerospace avionics, and distributed environmental and structural health monitoring. State-of-the-art capacitors can typically operate to -40 C, with a subsequent degradation in power performance below room temperature. However, recent efforts focused on advanced electrolyte and electrode systems can enable operation to temperatures as low as -70 C, with capacities similar to room temperature values accompanied by reasonably low equivalent series resistances. This presentation will provide an overview of recent development efforts to extend and improve the wide temperature performance of these devices.

Supercapacitors↗

Low Energy Neutron-induced Charged-particle (Z) (LENZ) instrument development with a focus on pulse shape discrimination for low-energy charged particles

To study neutron-induced charged-particle reactions with high precision, the Low Energy Neutron-induced Charged-particle (Z) instrument (LENZ) was developed at the Los Alamos Neutron Science Center. For the interest of measuring (n,p) and (n, α) reactions simultaneously, Pulse Shape Discrimination methods were investigated to identify different charged particles in the energy range of 3 - 20 MeV and improve signal-to-background ratios using Double-sided Silicon Strip Detectors and waveform digitizers. The risetime and pulse shape properties of detected charged particles were characterized for various silicon detector’s thickness with different orientations. During the post-processing of waveforms, we implemented different digital filters for effective particle identifications and improved energy- and timing- resolutions. We validated the optimized digital filters and pulse shape analyses, via measurements with 228 Th and 229 Th calibration sources, proton-induced reactions on a 7 LiF target, and neutron-induced reactions on CH 2 , Ta 2 O 5 , 58 Ni, and 6 LiF/ 59 Ni targets at the time-of-flight facility, LANSCE. In conclusion, the summary of effective thresholds and Figure of Merits on separating different charged particles is reported.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Report on the 4th Marine Energy Instrumentation and Data Workshop

The 4th Marine Energy Instrumentation and Data workshop was held on March 16 - 17 2022. This gathering brought together marine energy (ME) developers, researchers, and stakeholders to discuss the current state of ME technologies and the industry's instrument and data needs. The overall objective of the workshop was to identify gaps facing the ME industry for needed data collection, processing, and analysis. This report contains findings and recommendations derived from the discussions and presentations during the workshop.

16 TIDAL AND WAVE POWER↗

Leveraging NREL's ResStock & ComStock Dataset to Evaluate Building Stock Electrification: Preprint

Residential and commercial buildings accounted for 40% of U.S. energy consumption in 2022 and represent a significant opportunity for decarbonization through energy efficiency and electrification, and for grid planning. Building stock energy modeling is a powerful tool that can evaluate what-if scenarios as utilities, municipalities, policymakers, building owners and others work towards equitable building decarbonization and climate goals. This presentation will highlight several high-impact use cases of the National Renewable Energy Laboratory (NREL)'s highly granular, bottom-up building stock energy modeling tools, ResStock and ComStock. These use cases cover a wide range of project scale, from neighborhood electrification analysis and municipality long-term energy planning, to state energy code development and national policy evaluation. This presentation will showcase specific real-world applications for which ResStock and ComStock have been utilized across the country, including California codes and standards cost-effectiveness analysis, New York City affordable housing electrification cost gap analysis, and California targeted electrification and gas decommissioning analysis. For each use case, this presentation will illustrate how ResStock and ComStock played a crucial role in accurately characterizing regional building stocks, providing discrete and aggregated end-use load shapes, and calculating lifecycle consumption, emissions, and costs for a variety of building electrification strategies and scenarios. Finally, this presentation will demonstrate how the data provided by ResStock and ComStock can help unlock significant outcomes for these use cases, including but not limited to, customer bill impact, incentive and program design, and energy equity analyses.

building stock modeling↗

Transforming Energy Through Computational Excellence: A View From NREL

At the National Renewable Energy Laboratory (NREL)—a U.S. Department of Energy laboratory—computational science, high-performance computing, applied mathematics, advanced computer science, visualization, and data play a pivotal role in advancing energy abundance, affordability, security, and reliability. From fundamental scientifc discovery to systems engineering and analysis, NREL researchers tackle market-relevant challenges to develop solutions for an independent energy system that is reliable, resilient and secure. Collaborative partnerships with industry, government, and academia ensure that our research remains cutting edge, impactful, applicable, and aligned with real-world energy needs. This special issue of Computing in Science & Engineering highlights exemplary NREL projects where computational tools and methodologies drive discovery and accelerate innovation in scalable and integrated energy systems. The featured articles explore the role of computational modeling, high-performance computing, generative AI, and adaptive computing in advancing independent energy solutions, optimizing sustainability research, and enhancing decision-making for energy solutions using a broad mix of energy technologies. Here, these contributions demonstrate how NREL’s computational research bridges the gap between theoretical advancements and practical implementation, emphasizing interdisciplinary collaboration and a commitment to innovation, with a focus on translating computational excellence into real-world impact, thus accelerate progress toward national energy goals. By showcasing cutting-edge research at the intersection of computational science and energy systems, this issue aims to inspire and inform researchers, practitioners, and policymakers dedicated to shaping a more reliable energy future.

97 MATHEMATICS AND COMPUTING↗

CCUS deployment under the U.S. 45Q tax credit and adaptation by other North American Governments: MARKAL modeling results

In 2018, U.S. Congress passed the Bipartisan Budget Act, known as 45Q [H.R. 3761], expanding the corporate income tax credit for carbon capture utilization and storage (CCUS). 45Q provides a performance-based tax credit for carbon capture projects of $30/ton of carbon dioxide (CO 2 ) (tCO 2 ) for anthropogenic CO 2 going to enhanced oil recovery (EOR), and $50/tCO 2 if going to straight storage. There are several conditions; for example, there is a 12-year time limit on tax credits for a new plant that commences construction before 2024 [H.R. 3761]. Here, this study aims to test the incremental impact of the 45Q tax credits on CCUS deployment, CO 2 -EOR, and power generation technological changes for North American (the United States, Canada, and Mexico) long-term energy system development. The scenario results show that offering a 12-year CO 2 storage subsidy provides the motivation needed for CCUS investment during the 12-year subsidy period, and the benefits of such investment can be sustained over the 40-year lifetime under CO 2 taxation. The modeling results show that carbon capture generation replaces uncontrolled fossil-fueled power, not new or existing renewables, so power generation and corresponding emission reductions from renewables remain unaffected by the availability of 45Q in the United States. Our scenario with CCUS technological learning indicates that CCUS could play a very important role under stringent environmental constraints. Thus, accelerated support and funding for the large-scale CCUS demonstrations is important for the execution of both short- and long-term climate mitigation goals. Given the significant role of the United States, Canada, and Mexico on the world energy system, our results represent an important contribution to the study of global energy trends.

42 ENGINEERING↗

Metal–Organic Framework-derived Atomic Metal Sites Promoting Sulfur Cathode for All-Solid-State Lithium–Sulfur Batteries

All-solid-state lithium–sulfur batteries (ASSLSBs) offer high energy density and intrinsic safety; however, they still face major challenges, including sluggish redox kinetics and poor sulfur utilization. Incorporating conductive materials into sulfur cathodes is an effective strategy to mitigate these limitations. Here, a highly conductive cobalt–nitrogen–doped carbon (Co–NC) derived from a metal–organic framework (MOF) is introduced to accelerate charge transfer and promote reversible sulfur conversion. Co−NC provides atomically dispersed Co–N sites and conductive carbon pathways that correlate with improved charge transfer, sulfur utilization, and rate capability. Co–NC@S cathode delivers 1499 mAh g–1 at C/20 with a high sulfur loading (5 mg cm–2) and retains 1292 mAh g–1 after five cycles (vs 443 mAh g–1 without Co–NC). Moreover, Co–NC derived ASSLSB achieves 903 mAh g–1 at 5C at 60 °C. This work provides a practical and effective approach to develop high energy, high-rate ASSLSBs.

25 ENERGY STORAGE↗