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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 235 records · Page 13

HP-LSP: A reference of land surface phenology from fused Harmonized Landsat and Sentinel-2 with PhenoCam data

Abstract Land surface phenology (LSP) products are currently of large uncertainties due to cloud contaminations and other impacts in temporal satellite observations and they have been poorly validated because of the lack of spatially comparable ground measurements. This study provided a reference dataset of gap-free time series and phenological dates by fusing the Harmonized Landsat 8 and Sentinel-2 (HLS) observations with near-surface PhenoCam time series for 78 regions of 10 × 10 km 2 across ecosystems in North America during 2019 and 2020. The HLS-PhenoCam LSP (HP-LSP) reference dataset at 30 m pixels is composed of: (1) 3-day synthetic gap-free EVI2 (two-band Enhanced Vegetation Index) time series that are physically meaningful to monitor the vegetation development across heterogeneous levels, train models (e.g., machine learning) for land surface mapping, and extract phenometrics from various methods; and (2) four key phenological dates (accuracy ≤5 days) that are spatially continuous and scalable, which are applicable to validate various satellite-based phenology products (e.g., global MODIS/VIIRS LSP), develop phenological models, and analyze climate impacts on terrestrial ecosystems.

Science & Technology - Other Topics↗

Synthesis and Post-Processing of Chemically Homogeneous Nanothreads from 2,5-Furandicarboxylic Acid

Compared with conventional, solution-phase approaches, solid-state reaction methods can provide unique access to novel synthetic targets. Nanothreads—one-dimensional diamondoid polymers formed through the compression of small molecules—represent a new class of materials produced via solid-state reactions, however, the formation of chemically homogeneous products with targeted functionalization represents a persistent challenge. Through careful consideration of molecular precursor stacking geometry and functionalization, we report here the scalable synthesis of chemically homogeneous, functionalized nanothreads through the solid-state polymerization of 2,5-furandicarboxylic acid. The resulting product possesses high-density, pendant carboxyl functionalization along both sides of the backbone, enabling new opportunities for the post-synthetic processing and chemical modification of nanothread materials applicable to a broad range of potential applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An open control sequence specification to scale building demand flexibility via analytics software

For over two decades, researchers and practitioners have showcased the ability of large commercial buildings to provide grid services by shedding or shifting load. Various utility demand response (DR) and virtual power plant (VPP) programs throughout the United States are presently utilizing these demand-side resources. However, growth of these programs have been limited, in part due to the high cost necessary to integrate the DR control strategies into the building automation system (BAS). Implementing these strategies involves adjusting control sequences, necessitating dozens of hours of customized programming per building, limiting their adoption to large organizations and progressive owners. Recent efforts by researchers and industry have demonstrated the capability of energy management and information systems (EMIS), originally designed for fault detection and diagnostics, to interface with existing BAS and perform supervisory control to optimize building operations. While these approaches are quickly being adopted by industry, demand flexibility (DF) control strategies remain limited in product offerings. One of the challenges is the lack of documented best-practice DF sequences, despite the rich literature on field implementations. This paper develops a new open-specification for a zone-based temperature adjustment shed strategy for commercial building HVAC systems, describing the specification’s implementation in two EMIS tools in both experimental and field settings. Both implementations successfully reduced electric load by at least 40% on average during the called event, while maintaining temperature limits. This study’s detailed process from specification to deployment shows the potential for scalability as well as highlights challenges related to integration with heterogeneous BAS products.

Granderson, Jessica↗

Mode-multiplexed photonic integrated vector dot-product core from inverse design

Photonic computing has the potential to harness the full degrees of freedom (DOFs) of the light field, including the wavelength, spatial mode, spatial location, phase quadrature, and polarization, to achieve a higher level of computing parallelism and scalability than digital electronic processors. While multiplexing using the wavelength and other DOFs can be readily integrated on silicon photonics platforms with compact footprints, conventional mode-division multiplexed (MDM) photonic designs occupy areas exceeding tens to hundreds of microns for a few spatial modes, significantly limiting their scalability. Here, we utilize inverse design to demonstrate an ultracompact photonic computing core that calculates vector dot products based on MDM coherent mixing. Our dot-product core integrates the functionalities of two-mode multiplexers and one multimode coherent mixer within a nominal footprint of 5 μm x 3 μm . We have experimentally demonstrated computing examples on the fabricated dot-product core, including complex number multiplication and motion estimation using optical flow. The compact dot-product core design enables large-scale on-chip integration in a parallel photonic computing primitive cluster for high-throughput scientific computing and computer vision tasks.

97 MATHEMATICS AND COMPUTING↗

Chemical-Free Lithium Separation from High-Salinity Brines Using Model-Informed and Machine Learning-Optimized Multi-Column Zwitterionic Chromatography

Direct Lithium Extraction (DLE) technologies often struggle to produce high-purity lithium salts from high-salinity brines, as current approaches require chemical-based elution, regeneration, and precipitation steps, resulting in significant environmental footprints. A novel salt fractionation approach using carboxybetaine resin, known as zwitterionic chromatography (ZIC), has demonstrated that lithium ions can be separated from divalent cations under high-salinity conditions using only water as eluent, with no regeneration required. To enable continuous and scalable deployment of this approach, we developed a chemical-free Multi-column Zwitterionic Chromatography (MZC) process and its theoretical and process models. To predict and optimize this nontraditional separation system, we introduced a novel anti-Langmuir isotherm, and the isotherm parameters were estimated through a machine learning-driven optimization based on artificial neural network ensembles with numerical feasibility assessment. Using machine learning-driven optimization, the MZC process achieved 98.0% lithium recovery, 99.5 % Li/(Li + Mg + Ca) purity, a 31.3% productivity increase, and a 33% reduction in water use compared to batch operation. The proposed MZC process enables lithium separation at $0.6-1.2 kg-1 Li, with costs dominated by resin manufacturing, while offering lower separation costs and carbon footprint compared with conventional carbonation. Overall, these findings position the MZC process as an effective polishing step within scalable and sustainable lithium production pipelines.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Cost and Carbon Intensity Implications of Coprocessing Sustainable Aviation Fuel at Petroleum Refineries

Sustainable aviation fuel (SAF) will play a critical role in decarbonizing the aviation industry. Among SAF production pathways, alcohol-to-jet (ATJ) stands out for its scalability, supported by abundant feedstock availability and a well-established bioethanol industry. However, significant reductions in SAF carbon intensity (CI) require the use of future feedstocks (e.g., cellulosic) whose adoption is hindered by high capital costs for feedstock processing and ethanol upgrading. Here, we evaluate the financial viability and environmental implications of integrating an ATJ SAF biorefinery within a petroleum refinery, utilizing miscanthus and switchgrass as example feedstocks. Three scenarios are evaluated: standalone (benchmark), colocated, and repurposing (coprocessing SAF within the petroleum refinery). Results show repurposing reduces baseline capital costs by 36% and SAF minimum selling price (MSP) by 12% to 8.14 USD·gal −1 ; the superior performance of repurposing is consistent across both feedstocks. Integration has a limited effect on SAF CI, which remains stable across scenarios, whereas using cellulosic feedstocks reduces CI by over 70% relative to corn, with baseline values of 17.01 g CO 2 e· MJ −1 for miscanthus and 12.23 g CO 2 e·MJ −1 for switchgrass. Global sensitivity analysis reveals MSP declines with greater coprocessing levels.

09 BIOMASS FUELS↗

Porous Cu 2 BaSn(S,Se) 4 Film as a Photocathode Using Non-Toxic Solvent and a Ball-Milling Approach

Cu 2 BaSn(S,Se) 4 (CBTSSe) has been proposed as an alternative to Cu 2 ZnSn(S,Se) 4 (CZTSSe) for solar absorbers due to its reduced propensity for antisite disorder and band tailing, while maintaining the desirable characteristics of band gap tunability, earth-abundance, and low toxicity constituent metals. However, current film deposition methods require high-vacuum conditions or toxic solvents, less desirable features for prospective large-scale production. Here, ball milling is demonstrated as a route towards a scalable processing method for CBTSSe, using a precursor ink consisting of common elements Cu 2 S, BaS, Sn, and S in low-toxicity ethanol. A final film with a thickness and average grain size on the order of 1 µm was synthesized with a band gap of 1.56 eV, corresponding to a Cu 2 BaSnS 4-x Se x (x ≈ 3) stoichiometry. A porous CBTSSe photocathode with Pt/TiO 2 /CdS overlayers was fabricated to demonstrate the photocurrent-generating capabilities of the film, yielding current densities of as high as 5.54 mA/cm 2 at 0 V versus a reversible hydrogen electrode (V/RHE) .

14 SOLAR ENERGY↗

Impact of Interposer Microstructure on Ionic Transport in Liquid-Phase Bicarbonate Electrolysis

The electrochemical reduction of CO 2 (CO 2 RR) is a potentially scalable approach for converting captured carbon dioxide into value-added products. Conventional gas-phase electrolysis systems can suffer from carbonate crossover, which limits the efficiency of the system. Liquid-phase (bi)carbonate electrolysis using bipolar membrane electrode assemblies (BPMMEA) has emerged as a promising alternative. The interposer layer, a porous mass-transport material between the BPM and the catalyst, is an essential component of the MEA, as it allows evolved CO 2 to reach the catalyst surface for reaction. In the absence of this layer, evolved CO 2 generated by the pH swing process at the BPM can be converted back into (bi)carbonate (CO 2 recapture) due to the high bulk pH. Thus, clear design guidelines are needed to maximize CO 2 conversion, minimize CO 2 recapture in the catholyte, and improve energy efficiency. Here, the transport properties of the interposer are systematically characterized by X-ray tomography and symmetric-cell impedance spectroscopy to quantify porosity, tortuosity, and the resulting MacMullin number. We then examine the correlation between these material properties and the electrolyzer performance. We focus on characterizing two commercial porous membrane filters, mixed cellulose ester (MCE) and poly(ether sulfone) (PES).

CO2 electrolysis↗

Learning local equivariant representations for large-scale atomistic dynamics

Abstract A simultaneously accurate and computationally efficient parametrization of the potential energy surface of molecules and materials is a long-standing goal in the natural sciences. While atom-centered message passing neural networks (MPNNs) have shown remarkable accuracy, their information propagation has limited the accessible length-scales. Local methods, conversely, scale to large simulations but have suffered from inferior accuracy. This work introduces Allegro, a strictly local equivariant deep neural network interatomic potential architecture that simultaneously exhibits excellent accuracy and scalability. Allegro represents a many-body potential using iterated tensor products of learned equivariant representations without atom-centered message passing. Allegro obtains improvements over state-of-the-art methods on QM9 and revMD17. A single tensor product layer outperforms existing deep MPNNs and transformers on QM9. Furthermore, Allegro displays remarkable generalization to out-of-distribution data. Molecular simulations using Allegro recover structural and kinetic properties of an amorphous electrolyte in excellent agreement with ab-initio simulations. Finally, we demonstrate parallelization with a simulation of 100 million atoms.

74 ATOMIC AND MOLECULAR PHYSICS↗

Upcycled high-strength aluminum alloys from scrap through solid-phase alloying

Although recycling secondary aluminum can lead to energy consumption reduction compared to primary aluminum manufacturing, products produced by traditional melt-based recycling processes are inherently limited in terms of alloy composition and microstructure, and thus final properties. To overcome the constraints associated with melting, we have developed a solid-phase recycling and simultaneous alloying method. This innovative process enables the alloying of 6063 aluminum scrap with copper, zinc, and magnesium to form a nanocluster-strengthened high-performance aluminum alloy with a composition and properties akin to 7075 aluminum alloy. The unique nanostructure with a high density of Guinier-Preston zones and uniformly precipitated nanoscale η‘/Mg(CuZn) 2 strengthening phases enhances both yield and ultimate tensile strength by >200%. By delivering high-performance products from scrap that are not just recycled but upcycled , this scalable manufacturing approach provides a model for metal reuse, with the option for on-demand upcycling of a variety of metallic materials from scrap sources.

36 MATERIALS SCIENCE↗

Software-Defined Network for End-to-end Networked Science at the Exascale

Domain science applications and workflow processes are currently forced to view the network as an opaque infrastructure into which they inject data and hope that it emerges at the destination with an acceptable Quality of Experience. There is little ability for applications to interact with the network to exchange information, negotiate performance parameters, discover expected performance metrics, or receive status/troubleshooting information in real time. The work we presen here is motivated by a vision for a new smart network and smart application ecosystem that will provide a more deterministic and interactive environment for domain science workflows. The Software-Defined Network for End-to-end Networked Science at Exascale (SENSE) system includes a model-based architecture, implementation, and deployment which enables automated end-to-end network service instantiation across administrative domains. An intent based interface allows applications to express their high-level service requirements, an intelligent orchestrator and resource control systems allow for custom tailoring of scalability and real-time responsiveness based on individual application and infrastructure operator requirements. This allows the science applications to manage the network as a first-class schedulable resource as is the current practice for instruments, compute, and storage systems. Deployment and experiments on production networks and testbeds have validated SENSE functions and performance. Emulation based testing verified the scalability needed to support research and education infrastructures. Key contributions of this work include an architecture definition, reference implementation, and deployment. This provides the basis for further innovation of smart network services to accelerate scientific discovery in the era of big data, cloud computing, machine learning and artificial intelligence.

97 MATHEMATICS AND COMPUTING↗

Software-defined network for end-to-end networked science at the exascale

Domain science applications and workflow processes are currently forced to view the network as an opaque infrastructure into which they inject data and hope that it emerges at the destination with an acceptable Quality of Experience. There is little ability for applications to interact with the network to exchange information, negotiate performance parameters, discover expected performance metrics, or receive status/troubleshooting information in real time. The work presented here is motivated by a vision for a new smart network and smart application ecosystem that will provide a more deterministic and interactive environment for domain science workflows. The Software-Defined Network for End-to-end Networked Science at Exascale (SENSE) system includes a model-based architecture, implementation, and deployment which enables automated end- to-end network service instantiation across administrative domains. An intent based interface allows applications to express their high-level service requirements, an intelligent orchestrator and resource control systems allow for custom tailoring of scalability and real-time responsiveness based on individual application and infrastructure operator requirements. This allows the science applications to manage the network as a first-class schedulable resource as is the current practice for instruments, compute, and storage systems. Deployment and experiments on production networks and testbeds have validated SENSE functions and performance. Emulation based testing verified the scalability needed to support research and education infrastructures. Key contributions of this work include an architecture definition, reference implementation, and deployment. This provides the basis for further innovation of smart network services to accelerate scientific discovery in the era of big data, cloud computing, machine learning and artificial intelligence.

47 OTHER INSTRUMENTATION↗

Scalable fabrication of a tough and recyclable spore-bearing biocomposite thermoplastic polyurethane

Thermoplastic polyurethanes (TPUs) are a class of versatile thermoplastic elastomers, but most of their products lack a proper recycling strategy or have no end-of-life solutions. To pursue a sustainable end-of-life solution for TPU-based products, self-disintegrating biocomposite TPUs have recently been developed by embedding spores of TPU-degrading bacteria into TPUs via melt extrusion. Herein, we improve upon spore-bearing biocomposites and demonstrate industrially relevant manufacturing conditions for fabricating biocomposite TPUs. To minimize the coloration of biocomposite TPUs, spore production was modified. The innate brown color of the resulting materials was diminished by reducing FeSO 4 in sporulation media, generating white spores without compromising spore productivity, viability, morphology or heat-shock tolerance. Biocomposite TPUs containing white spores displayed a 45 % increase in toughness compared to TPUs without spores, while retaining ∼ 90 % spore viability post processing. Furthermore, biocomposite TPU fabrication was demonstrated using a scalable continuous extruder followed by injection molding. Biocomposite TPUs generated by these industry-relevant processes exhibited comparable toughness improvement and spore viability to biocomposite TPU prepared using a lab scale microcompounder, while enhancing productivity by 30-fold. Finally, spore addition significantly improved the recyclability of biocomposite TPUs, enabling 80 % toughness retention after 5 rounds of iterative melt processing. Additionally, no negative effect on the lifespan of the generated TPUs was observed over 1 year of storage. Overall, this study confirms that spore-bearing biocomposite TPUs are promising for practical applications, offering an accessible method to enhance toughness and sustainability of commercial TPUs through the incorporation of spore-based living fillers.

36 MATERIALS SCIENCE↗

Online Event Detection in Synchrophasor Data with Graph Signal Processing

Online detection of anomalies is crucial to enhancing the reliability and resiliency of power systems. We propose a novel data-driven online event detection algorithm with synchrophasor data using graph signal processing. In addition to being extremely scalable, our proposed algorithm can accurately capture and leverage the spatio-temporal correlations of the streaming PMU data. This paper also develops a general technique to decouple spatial and temporal correlations in multiple time series. Finally, we develop a unique framework to construct a weighted adjacency matrix and graph Laplacian for product graph. Case studies with real-world, large-scale synchrophasor data demonstrate the scalability and accuracy of our proposed event detection algorithm. Compared to the state-of-the-art benchmark, the proposed method not only achieves higher detection accuracy but also yields higher computational efficiency.

Event detection↗

Online Event Detection in Synchrophasor Data with Graph Signal Processing

Online detection of anomalies is crucial to enhancing the reliability and resiliency of power systems. We propose a novel data-driven online event detection algorithm with synchrophasor data using graph signal processing. In addition to being extremely scalable, our proposed algorithm can accurately capture and leverage the spatio-temporal correlations of the streaming PMU data. This paper also develops a general technique to decouple spatial and temporal correlations in multiple time series. Finally, we develop a unique framework to construct a weighted adjacency matrix and graph Laplacian for product graph. Case studies with real-world, large-scale synchrophasor data demonstrate the scalability and accuracy of our proposed event detection algorithm. Compared to the state-of-the-art benchmark, the proposed method not only achieves higher detection accuracy but also yields higher computational efficiency.

24 POWER TRANSMISSION AND DISTRIBUTION↗