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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 1,513 records · Page 84
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Integrating field observations and process-based modeling to predict watershed water quality under environmental perturbations

Watersheds play a critical role in supplying water resources needed for human use and ecosystem health. Understanding and predicting how, when, and where changes in the quantity and quality of water resources occur under different environmental stresses including extreme events is crucial for sustainable management of water resources under a changing environment. However, few studies have attempted to quantify or identify the factors and process interactions controlling the impact of extreme events across water-shed systems. Only few large-scale studies include coordinated monitoring and modeling efforts, which limits our ability to assess the large-scale impact of extreme events on water supply and quality. Methods are lacking to propagate uncertainty in process understanding through an integrated hydro-biogeochemical model framework and evaluate its importance, thus failing to take full advantage of the information potentially available through transformative advances in characterization technologies from high-resolution mass spectrometry to airborne and satellite-based remote sensing. There are consequent risks to our nations water security and to human and ecosystem health that may become exacerbated with the increasing frequency of extreme events that is projected for the coming decades. This paper reviews the current status of watershed science for both water quantity and quality and identifies critical gaps in our current knowledge and modeling capability in addressing the emergent needs in predicting watershed hydrologic and biogeochemical responses (i.e., water quantity and quality) under natural and anthropogenic perturbations. We highlight the need to (1) understand how environmental perturbations including extreme events like floods and droughts propagate through watershed systems and assess their short- and long-term impacts on watershed biogeochemistry, water quality and their recovery pathways; (2) develop and improve a watershed water quality model that reflects the state of scientific understanding gained from observations; and (3) construct a data-model fusion system for watershed characterization, process identification, and mechanistic model parameterization. A large base of modeling, monitoring and data capabilities have been built by various federal government agencies given the relevance of water to their critical missions. An emerging need is to build an integrated national capability for watershed water availability and quality that can address water-related missions across multiple federal agencies.

13 HYDRO ENERGY↗
DOE OSTI2021

Catalysts by pyrolysis: Direct observation of chemical and morphological transformations leading to transition metal-nitrogen-carbon materials

Transition metal-nitrogen-carbon materials (M-N-C catalysts) are promising electrocatalysts in polymer electrolyte fuel cells (PEFCs) and electrolyzer applications. High temperature treatment in inert atmosphere (pyrolysis) is the essential, most common method for the synthesis of M-N-C catalysts and critical to achieve high electrocatalytic activity and electronic conductivity. To this day, despite many uses and successful implementations in materials manufacturing, pyrolysis has been an entirely empirical technology, with process control and optimization relying exclusively on “Edisonian” approach. The knowledge gap in the mechanism about how the precursor is being transformed into catalysts hinders further development of the M-N-C catalysts regardless of the precursor class and processing protocols. In this work, we probed the morphological evolution and chemical transformation of a nitrogen-containing charge transfer organic salt, mixed with transition metal (iron) salt and amorphous silica powder (precursor) during the pyrolysis process via a combination of in situ synchrotron and laboratory-based diagnostic techniques. The pyrolysis process is found to be divided into three stages. During a controlled temperature ramp, the selected organic N-C precursor (nicarbazin) began melting and decomposing just below 400 °C, forming a certain number of micrometer-scale pores and pathways. With increase in temperature from 400 °C to 900 °C, amorphous carbon domains started forming, and reduced (metallic) iron nanoclusters appeared, being dispersed uniformly throughout the carbonaceous matrix. When temperature advanced above 900 °C, graphitization of carbon commenced, associated with appearance and evolution of atomically dispersed metal-nitrogen moieties in the carbonaceous matrix. As the graphitization advanced further, a secondary process of agglomeration of metal nanoparticles occurred. Multi-analytical technique observations conducted here provide a base for rational design and optimization of M-N-C electrocatalysts via pyrolysis.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Expanding the Material Search Space for Multivalent Cathodes

Multivalent batteries are an energy storage technology with the potential to surpass lithium-ion batteries; however, their performance have been limited by the low voltages and poor solid-state ionic mobility of available cathodes. A computational screening approach to identify high-performance multivalent intercalation cathodes among materials that do not contain the working ion of interest has been developed, which greatly expands the search space that can be considered for material discovery. This approach has been applied to magnesium cathodes as a proof of concept, and four resulting candidate materials [NASICON V 2 (PO 4 ) 3 , birnessite NaMn 4 O 8 , tavorite MnPO 4 F, and spinel MnO 2 ] are discussed in further detail. In examining the ion migration environment and associated Mg 2+ migration energy in these materials, local energy maxima are found to correspond with pathway positions where Mg 2+ passes through a plane of anion atoms. While previous studies have established the influence of local coordination on multivalent ion mobility, these results suggest that considering both the type of the local bonding environment and available free volume for the mobile ion along its migration pathway can be significant for improving solid-state mobility.

25 ENERGY STORAGE↗
DOE OSTI2026

Observation of Synchronization between Two Quantum van der Pol Oscillators in Trapped Ions

Synchronization is a hallmark of collective behavior that emerges when nonlinear systems interact, spanning scales from mechanical oscillators to planetary orbits. As a universal phenomenon, it underpins the study of complex systems and has far-reaching technological implications. While classical synchronization has a long and rich history, it has not been observed experimentally between multiple quantum limit-cycle oscillators despite a decade of theoretical investigations. We realize synchronization between two quantum van der Pol oscillators by engineering dissipation in a mixed-isotope trapped-ion quantum simulator. The synchronized state is encoded in a fixed relative phase between the oscillators that is inaccessible to individual measurements and revealed only through joint readout of both oscillators, in stark contrast to the system in the (deterministic) classical limit where synchronization can be observed via individual phase measurements. We further show that the relative phase can be precisely controlled and that the chain of two oscillators can synchronize to an external field, suggesting applications in sensing. Our results provide a promising pathway for studying more complex synchronized quantum dynamics beyond two oscillators, where a theoretical treatment becomes increasingly challenging, and it remains to be understood whether genuinely quantum features persist in such cases.

Liu, Jiarui↗
DOE OSTI2024

Solid Sorbent Cost Sensitivity Analysis: A Framework for UNF Reprocessing Sorbent Cost Comparison

Solid sorbents have been the subject of research and development across the U.S. Department of Energy national laboratory complex for many years. They are generally accepted as a safer alternative to cryogenic distillation for noble gas capture, and they present an easier pathway in development of long-term waste forms after iodine capture. As more types of sorbents have been proposed for capture of volatile radionuclides, it has become necessary to compare them based on performance and cost criteria. This report details cost and performance information for three promising sorbents and provides a cost sensitivity analysis. The goal of this analysis is to establish a framework which can be utilized to directly compare future sorbents, with differing properties, to the sorbents discussed in this report. Direct comparison is instrumental to making informed decisions to efficiently guide research and minimize laborious detours. In all cases, sorbent capacity is a major cost driver as it influences the mass of sorbent, operational footprint, and disposal cost requirements., However, sorbent price can greatly increase the cost of a capture technology. For sorbents used in krypton capture, the purity of krypton released to storage is the highest cost driver.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Assessment of sulfur trioxide formation due to enhanced interaction of nitrogen oxides and sulfur oxides in pressurized oxy-combustion

Pressurized oxy-combustion is emerging to be one of the best technologies for significantly decreasing the energy penalty for CO 2 capture in coal-fired power plants. However, the higher pressure boosts the formation of acid gases, including SO 3 and NO 2 , which could increase the risk of corrosion. The synergistic promotion of SO 3 and NO 2 formation in pressurized oxy-combustion is kinetically evaluated under representative conditions (1 ~ 30 atm, 600 ~ 1200 °C, NO/SO 2 = 0.1 ~ 5). We begin with a comprehensive mechanism (72 species and 428 reactions), covering nitrogen and sulfur chemistry, relying on GRI-Mech 3.0. This analysis shows that the interaction of SO X and NO X enhances the conversion rates of SO 2 → SO 3 , and this effect is more apparent at elevated pressures and lower temperatures. Mechanism analyses indicate that at elevated pressures, the formation pathways of SO 3 through HOSO 2 + O 2 = SO 3 + HO 2 , and NO 2 through HO 2 + NO = NO 2 + OH, are promoted due to the strong interaction between SO X and NO X . The intermediate between these two reactions is SO 2 + OH + M = HOSO 2 + M, resulting in a strong cycle, that can be expressed by the global reaction NO + SO 2 + O 2 = NO 2 + SO 3 . Finally, a nine-step reduced chemistry is developed and validated to accurately predict the formation of SO 3 in the post-flame region at elevated pressures.

42 ENGINEERING↗
DOE OSTI2023

Metaoptics Enabled Multifunctional Imaging

Despite the fact that most microorganisms occupy two- and three-dimensional space in heterogeneous arrangements and in proximity to other microorganisms of different species, much of our current knowledge about their metabolic processes is derived from homogenizing, then analyzing, the chemical content of cultures containing a single microbial species. This project addressed this fundamental dichotomy by developing a set of optical imaging principles combining multiple new technologies. The imaging strategies developed in this project combine metaoptics structures with active in situ nanoscale control of the chemical environment and applied them to a microbial system, Myxococcus xanthus, with particular relevance to the DoE mission. The combination of metaoptical architectures and nanoscale control over the molecular environment enables: (a) precise control over the electromagnetic (EM) field at length scales smaller than the wavelength of light; (b) control of the interaction of the EM field with critical molecular systems in DOE relevant microbes; (c) control over the chemical environment – especially the presence and quantity of reactive oxygen species (ROS) that can affect redox homeostasis; and (d) the ability to ask new kinds of questions not accessible to ‘omics’ approaches or standard methods of biological imaging. These capabilities are applicable to detailed studies of metabolic pathways in microbes and to lignocellulosic biomass deconstruction. To accomplish these objectives, we pursued two over-arching technical goals: (1) the development of new metaoptics-enabled approaches to imaging and spectroscopic characterization; and (2) the development of tools to control the chemical environment of a microbial sample with nanometer-scale precision. Goal 1 was addressed through the design, fabrication, and characterization of new metasurfaces capable of super-resolution imaging through extreme confinement of the optical field. Goal 2 was addressed by controlling the redox potential on the nanoscale in microbial communities and characterizing their effect on intrinsic bacterial fluorophores which act as molecular sentinels and through characterization of soluble factors secreted by Myxococcus xanthus by confocal Raman imaging. The optical imaging/sensing approaches developed here make it possible to use these powerful new imaging and sensing modalities in metabolic studies by making it possible to visualize and track the spatial and temporal expression patterns of natural or engineered pathways in microorganisms.

09 BIOMASS FUELS↗
DOE OSTI2025

Development of the Well-to-Wake Life Cycle Assessment Model for Marine Fuels in R&D GREET 2025

The Marine analysis capabilities in the 2025 Research and Development Greenhouse gases, Regulated Emissions, and Energy use in Technologies (R&D GREET) have been updated to incorporate the latest findings from the Fourth International Maritime Organization (IMO) GHG Study.1 To support these updates and enhance user flexibility, the former single marine module used in previous R&D GREET versions has been split into two workbook tabs: The Marine_Fuel tab, which covers the fuel-cycle, and the Marine_Trip tab, which covers the trip-cycle. In the Marine_Fuel tab, fuel cycle results for 39 marine fuels are available—assuming a slow speed diesel engine—and can be seen in Appendix A. However, there are options for changing feedstocks for multiple fuels, ability to view results with or without pilot fuels for fuels such as methanol and ammonia, and carbon capture options. All these combinations make the number of total possible pathways over one hundred. For each pathway, life cycle emission results are divided into feedstock, conversion, and combustion categories, along with pilot fuel supply chain emissions for fuels used in dual fuel engines. In the newly created Marine_Trip tab, users can view the life cycle emissions of using these fuels from a trip perspective. Compared to R&D GREET 2024, 16 new types of vessels are added in R&D GREET 2025. Examples of results assuming the default size for each vessel type are available in Appendix A. Additional information categories on vessels are included such as vessel size, main propulsion type, engine power rating, combustion cycle, etc. based on the Fourth IMO GHG Study. Operational mode of the trip, fuel consumption, and load calculation were updated based on the report. The fuel consumption calculation also incorporates low-load adjustment, speed–power correction, weather correction, and fouling correction factors. Furthermore, fuel consumption in boilers or steam turbines is also added for the first time, besides fuel use in main propulsion engines and auxiliary engines. This effort makes the R&D GREET Marine capabilities more robust than before. Users will be able to estimate fuel consumption more accurately for more diverse choices of vessel categories, vessel sizes, and energy converters.

09 BIOMASS FUELS↗
DOE OSTI2023

Fusion Centers and State Energy Stakeholders: Pathways to Robust Threat Information Sharing

Threats to our nation’s critical infrastructure are escalating in frequency and sophistication. It is essential for public and private sectors to join forces to understand the threats, mitigate risks, and plan to respond and recover from disruption. Fusion centers — organizations purpose-built to facilitate communication and cooperation between federal, state, local, and territorial law enforcement entities — are well-positioned to play a pivotal role in this context. Although fusion centers historically focused on crime and terrorism, there is a need to engage more broadly and build stronger threat information sharing relationships among energy stakeholders within their states.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2020

Robust paths to net greenhouse gas mitigation and negative emissions via advanced biofuels

Biofuel and bioenergy systems are integral to most climate stabilization scenarios for displacement of transport sector fossil fuel use and for producing negative emissions via carbon capture and storage (CCS). However, the net greenhouse gas mitigation benefit of such pathways is controversial due to concerns around ecosystem carbon losses from land use change and foregone sequestration benefits from alternative land uses. Here, we couple bottom-up ecosystem simulation with models of cellulosic biofuel production and CCS in order to track ecosystem and supply chain carbon flows for current and future biofuel systems, with comparison to competing land-based biological mitigation schemes. Analyzing three contrasting US case study sites, we show that on land transitioning out of crops or pasture, switchgrass cultivation for cellulosic ethanol production has per-hectare mitigation potential comparable to reforestation and severalfold greater than grassland restoration. In contrast, harvesting and converting existing secondary forest at those sites incurs large initial carbon debt requiring long payback periods. We also highlight how plausible future improvements in energy crop yields and biorefining technology together with CCS would achieve mitigation potential 4 and 15 times greater than forest and grassland restoration, respectively. Finally, we show that recent estimates of induced land use change are small relative to the opportunities for improving system performance that we quantify here. While climate and other ecosystem service benefits cannot be taken for granted from cellulosic biofuel deployment, our scenarios illustrate how conventional and carbon-negative biofuel systems could make a near-term, robust, and distinctive contribution to the climate challenge.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Energy Efficiency Analysis and Grid Service Results for Commercial Buildings using the VOLTRON IoT Platform

In fiscal year 2021 (FY21), the Commercial Buildings Integration Program (CBI) within the Building Technologies Office (BTO), funded PNNL to conduct a field evaluation of the AIRCx and ILC using an Internet-of-Things (IoT) platform, VOLTTRON. The primary goal of the project is to show that software solutions deployed and delivered through an IoT-platform can identify energy efficiency opportunities and manage peak load (beyond the traditional demand response) in commercial buildings. There are also two secondary goals: 1) show that the energy efficiency solutions will result in identification of significant savings opportunities (10% to 30%) as well as energy cost reductions (10% to 15%) by managing the peak load in commercial buildings, and 2) show that an IoT-based software solution is more cost-effective compared to a manual process in meeting the Re-tuning/retro commissioning (RCx) mandates and there is a pathway for broader adoption of this approach. This report provides AIRCx and ILC results for two building located in District of Columbia managed by the energy service provider Intellimation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

Connecting agriculture and renewable energy: insights into microclimatic changes, physiological, biochemical, and yield responses under agrivoltaics: a review

Agrivoltaics, the synergistic integration of agriculture and solar energy production on the same piece of land, has emerged as a compelling dual-use solution that maximizes land productivity while simultaneously addressing the need for sustainable agricultural practices and renewable energy generation. Despite the growing global interest in this dual-use system, the microclimatic shifts created beneath solar panels and their consequences for crop performance remain insufficiently synthesized. This review highlights the intricate interactions between agrivoltaics systems and plant microclimates, discussing their impacts on various physiological processes, metabolic pathways, and overall yield responses in different crop species. Evidence indicates that moderated light intensity and altered microclimates can enhance water-use efficiency, stabilize photosynthetic function, and trigger beneficial metabolic adjustments; however, responses remain highly species-specific and strongly dependent on regional climate conditions and panel configuration. Yield outcomes vary widely among vegetables, cereals, pulses, and fruit crops, highlighting the necessity for tailored agronomic strategies and crop selection within agrivoltaic designs. A critical knowledge gap identified in this review concerns the limited understanding of molecular and omics-level responses underlying plant adaptation to agrivoltaic environments. We further provide a detailed and interdisciplinary overview of adaptive agronomic strategies, and optimal crop selection, tailored to agrivoltaic systems. Despite the benefits of land use efficiency and simultaneous food and energy production, challenges remain concerning initial investment, technological adaptation, social and legal barriers, and shade-induced yield penalties. Further research in this area will be critical to enhancing the agricultural, environmental, and economic sustainability of agrivoltaics while simultaneously augmenting their practical utility and appeal to farmers in the future.

14 SOLAR ENERGY↗
DOE OSTI2025

Phototropin connects blue light perception to starch metabolism in green algae

Abstract In photosynthetic organisms, light acts as an environmental signal to control their development and physiology, as well as energy source to drive the conversion of CO 2 into carbohydrates used for growth or storage. The main storage carbohydrate in green algae is starch, which accumulates during the day and is broken down at night to meet cellular energy demands. The signaling role of light quality in the regulation of starch accumulation remains unexplored. Here, we identify PHOTOTROPIN-MEDIATED SIGNALING KINASE 1 (PMSK1) as a key regulator of starch metabolism inChlamydomonas reinhardtii. In its phosphorylated form (PMSK1-P), it activates GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE (GAP1), promoting starch biosynthesis. We show that blue light, perceived by PHOTOTROPIN, induces PMSK1 dephosphorylation that in turn represses GAP1 mRNA levels and reduces starch accumulation. These findings reveal a previously uncharacterized blue light-mediated signaling pathway that advances our understanding of photoreceptor-controlled carbon metabolism in microalgae.

Science & Technology - Other Topics↗
DOE OSTI2025

Stress-dependent χ phase transformation in a Ni-based superalloy

The ongoing push to elevate operating temperatures in aerospace gas turbine engines – driven by goals of enhanced fuel efficiency and reduced CO 2 emissions – mandates advancements in the creep resistance of Ni- and Co-based superalloys, which are integral for critical engine components. This study elucidates the role of stress assisted localized phase transformations in the creep properties of these alloys. By leveraging chemo-mechanical coupling, self-healing γ′ precipitates are designed to immobilize planar defects, thereby increasing creep resistance. Employing advanced characterization techniques such as high-resolution Scanning Transmission Electron Microscopy (HR-STEM), in conjunction with atomistic simulations and thermodynamic calculations, novel deformation pathways facilitated by χ local phase transformation (LPT) strengthening have been uncovered; notably, the formation of χ nano-laths through microtwinning and superlattice intrinsic stacking fault (SISF) shearing. This study highlights critical insights into the compositional boundaries necessary for optimizing LPT strengthening while avoiding deleterious bulk formation of η/χ phases. These advancements will guide the design of new alloys maximizing high-temperature creep strength for advanced aerospace applications.

Egan, Ashton J. [Friedrich-Alexander University Er↗
DOE OSTI2023

Mapping existing wellbore locations to compare technical risks between onshore and offshore CCS activities in Texas

Carbon dioxide capture and geologic storage (CCS; geologic sequestration) is a promising technology for reducing anthropogenic greenhouse gas emissions to the atmosphere from industrial point sources. Aspects of CCS have been investigated for over two decades, and many large- and small-scale geologic storage field demonstration projects are now underway globally. Interest in offshore CCS has been increasing in recent years (e.g., European Union, Australia, Japan, and the United States). Deep geologic storage in offshore settings is analogous to onshore CCS activities in many respects (i.e., geologic and geotechnical aspects), but is distinct from previously explored seabed sediment CO 2 storage) or deep marine dissolution). Given the large subsurface geologic storage volumes available in offshore settings, much discussion of offshore CCS is focused on the benefits and risks of such activity compared to onshore settings. Similar to onshore settings, existing (legacy) wells likely present the most direct migration pathway and largest risk of noncontainment in offshore settings. As part of current studies to evaluate geologic storage options in offshore settings along the Texas coast and greater Gulf of Mexico (GoM), mapping of the geographic distribution and ages of wells in a region containing coastal counties and extending 30 miles offshore Texas indicates that both well spatial density and well age decrease moving from onshore to offshore. Results suggest reduced risk of leakage owing to more rigorous and documented well completion and abandonment practices for these generally younger wells (although many are decades old). A result of decreased well density is that larger areas are available for leasing for CCS projects that avoid legacy wells altogether (> 1 mile from any existing well). The one-mile designation is used as an arbitrary convention, and while it is recognized that this is smaller than a typical area of review (AoR) for permitting, each site will have a different AoR radius for consideration. Finally, the combination of large subsurface storage volumes under control of a single landowner and reduced risks from legacy wells makes offshore CCS attractive in the GoM.

58 GEOSCIENCES↗
DOE OSTI2020

Supramolecular Energy Materials

Self-assembly is a bioinspired strategy to craft materials for renewable and clean energy technologies. In plants, the alignment and assembly of the light-harvesting protein machinery in the green leaf optimize the ability to efficiently convert light from the sun to form chemical bonds. In artificial systems, strategies based on self-assembly using noncovalent interactions offer the possibility to mimic this functional correlation among molecules to optimize photocatalysis, photovoltaics, and energy storage. Here, one of the long-term objectives of the field described here as supramolecular energy materials is to learn how to design soft materials containing light-harvesting assemblies and catalysts to generate fuels and useful chemicals. Supramolecular energy materials also hold great potential in the design of systems for photovoltaics in which intermolecular interactions in self-assembled structures, for example, in electron donor and acceptor phases, maximize charge transport and avoid exciton recombination. Possible pathways to integrate organic and inorganic structures by templating strategies and electrodeposition to create materials relevant to energy challenges including photoconductors and supercapacitors are also described. The final topic discussed is the synthesis of hybrid perovskites in which organic molecules are used to modify both structure and functions, which may include chemical stability, photovoltaics, and light emission.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Hydride Migration within RhH 2 Ag 19 Superatom: A Combined Neutron Diffraction and DFT Analysis

Abstract An investigation combining neutron diffraction and DFT allows determining the most likely hydride migration pathway within the icosahedral metal framework of [RhH 2 Ag 19 {S 2 P(O n Pr) 2 } 12 ] (RhH 2 Ag 19 ). Starting from the experimentally derived solid‐state structures, a computational analysis is able to reveal an energetically favorable migration pathway with a maximum energy barrier of 4.2 kcal mol −1 . The two hydrides migrate simultaneously within the Rh@Ag 12 icosahedral core, traversing several positional isomers. This study expands the understanding of hydride dynamics in nanoclusters and provides critical insights into the structural flexibility of the superatom framework. These findings have significant implications for hydrogen storage, catalysis, and the design of advanced hydride‐containing materials.

Chemistry↗