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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Market mechanism to enable grid-aware dispatch of Aggregators in radial distribution networks

This paper presents a market-based optimization framework wherein Aggregators can compete for nodal capacity across a distribution feeder and guarantee that allocated flexible capacity cannot cause overloads or congestion. This mechanism, thus, allows Aggregators with allocated capacity to pursue a number of services at the whole-sale market level to maximize revenue of flexible resources. Based on Aggregator bids of capacity (MW) and network access price ($/MW), the distribution system operator (DSO) formulates an optimization problem that prioritizes capacity to the different Aggregators across the network while implicitly considering AC network constraints. This grid-aware allocation is obtained by incorporating a convex inner approximation into the optimization framework that prioritizes hosting capacity to different Aggregators. We adapt concepts from transmission-level capacity market clearing, utility demand charges, and Internet-like bandwidth allocation rules to distribution system operations by incorporating nodal voltage and transformer constraints into the optimization framework. Simulation based results on IEEE distribution networks showcase the effectiveness of the approach.

Nazir, Mohammad Nawaf↗
DOE OSTI2025

Guam Energy Strategies

In 2024, GPA met approximately 12%1 of electricity sales with renewable energy, up from 6% in 20202. GPA's 2021 Integrated Resource Plan (IRP) charts a potential path to meeting 100% renewable electricity by 2040. Since achieving 100% will require significant infrastructure investment to transition the power system to renewable electricity generation, Guam Energy Strategies is exploring technology options, locations, resource adequacy, rate impacts, and other considerations for reaching Guam's energy goals.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

A Privacy First Path Analysis using Clickstream Data

In the modern digital economy, data-driven decision making is crucial for effectively meeting the ever-evolving demands of consumer engagement and satisfaction. Clickstream data has become invaluable for understanding customer behavior, yet concerns over privacy and security persist, especially with some internet service providers profiting from its sale. This article introduces an innovative methodology that blends experiential learning with advanced cryptographic techniques, including differential privacy and graph analytics. The core objective of this methodology is to estimate Customer Lifetime Value (CLV) by analyzing clickstream data, achieving an average prediction accuracy of 92.4% in user engagement levels while ensuring user anonymity through Recency, Frequency, and Monetary (RFM) analysis. Our study introduces the concept of a “data depositor” and a privacy manager, employing the composition theorem to merge non-adaptive queries effectively. Privacy budgets (? = 1.0, d = 10-5), sensitivity-specific techniques, and data partitioning were applied. Randomization and noise addition protect data integrity, with special handling for categorical values. This approach, differing from prior studies, offers a 12.6% improvement in privacy-preserving targeting accuracy while maintaining strict confidentiality, presenting a novel path forward in data-driven decision-making.

Frequency and Monetary (RFM) analysis↗
DOE OSTI2025

Renewable Hydrogen to Vehicle (RH2V) – Operation Verification and Risk Mitigation Studies: Original Agreement (Modification 0) (CRADA Final Report)

Toyota has announced plans for commercial fuel cell vehicle deployment in 2015. To fully realize the benefits of fuel cell vehicles (zero emission with no performance loss in terms of vehicle range and capability), hydrogen produced efficiently from renewable sources is necessary. Most of the hydrogen fueling stations today utilize hydrogen reformed from natural gas (produced onsite or delivered). This enables more stations to be deployed cost-effectively within a network. Producing and using cost-effective renewable hydrogen in fuel cell vehicles will enable realization of the full potential. A viable option of green hydrogen that reliably delivers on the full suite of benefits for Toyota fuel cell vehicle drivers is needed. NREL is in a unique position to analyze and optimize renewable hydrogen production scenarios using the Energy Systems Integration Facility (ESIF), a facility that is specifically designed to evaluate renewable energy integration technologies. As the U.S. Department of Energy's (DOE) primary national laboratory for renewable energy and energy efficiency research and development, NREL has extensive knowledge of photovoltaic systems as well as alternative renewable technologies for efficient and reliable production of green hydrogen.

08 HYDROGEN↗
DOE OSTI2021

Metal Nitride Electrode Stress and Chemistry Effects on Phase and Polarization Response in Ferroelectric Hf 0.5 Zr 0.5 O 2 Thin Films

Ferroelectric phase stability in hafnium oxide is reported to be influenced by factors that include composition, biaxial stress, crystallite size, and oxygen vacancies. In the present work, the ferroelectric performance of atomic layer deposited Hf 0.5 Zr 0.5 O 2 (HZO) prepared between TaN electrodes that are processed under conditions to induce variable biaxial stresses is evaluated. The post-processing stress states of the HZO films reveal no dependence on the as-deposited stress of the adjacent TaN electrodes. All HZO films maintain tensile biaxial stress following processing, the magnitude of which is not observed to strongly influence the polarization response. Subsequent composition measurements of stress-varied TaN electrodes reveal changes in stoichiometry related to the different preparation conditions. HZO films in contact with Ta-rich TaN electrodes exhibit higher remanent polarizations and increased ferroelectric phase fractions compared to those in contact with N-rich TaN electrodes. HZO films in contact with Ta-rich TaN electrodes also have higher oxygen vacancy concentrations, indicating that a chemical interaction between the TaN and HZO layers ultimately impacts the ferroelectric orthorhombic phase stability and polarization performance. The results of this work demonstrate a necessity to carefully consider the role of electrode processing and chemistry on performance of ferroelectric hafnia films.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Magnetocaloric Effect in Lightly‐Doped Fe 5 Si 3 Single Crystals

Abstract Development of promising new materials for above room temperature magnetic cooling applications relies on careful balancing of structure and composition to maximize accessible metastable phases that can drive a strong magnetocaloric effect (MCE). However, the working temperatures of these materials may fall outside of desired application windows. In this work, it is shown that it is possible to control metastable phase stability temperatures of Fe 5 Si 3 through selection of appropriate spin and charge doping. Here, the parent material's desired structure appears only within a narrow temperature range from 1098 to 1303 K. Doping with Mn and P is shown to allow stabilization of the parent's high temperature phase and resulting MCE to room temperature. The structural and magnetic properties, and the magnetocaloric effect of single crystal Fe 4.83 Mn 0.16 Si 2.91 P 0.09 (FMSP) are investigated experimentally and theoretically. A first‐order magneto‐elastic transition is observed at 348 K, where magnetic onset is accompanied by a change in lattice volume without an apparent change in crystal symmetry. Although the trace Mn and P doping are found to decrease the T C , the maximum magnetic entropy change Δ S Max ( T ) and the relative cooling power (RCP) of FMSP are enhanced compared to polycrystalline Fe 5 Si 3 . As a result, an intrinsically broader entropy change over a larger temperature span is generated in the lightly doped single crystal of Fe 5 Si 3 . The magnetic moment of the system is also enhanced. Density functional theory (DFT) calculations are performed to gain microscopic insights into the experimental findings. The results suggest that the hexagonal Fe 5 Si 3 is a new giant room temperature MCE material that is on par with La–Fe–Si and Fe‐Mn‐P‐Si systems.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Mechanistic Insights into the Demethylation of Lignin‐Derived Structures Using Protic Ionic Liquids: A Density Functional Theory Study

Lignin valorization is restricted by the stability of its methoxy groups, creating a critical need for efficient demethylation strategies. Here, in this study, density functional theory (DFT) is employed to dissect the mechanistic pathways of demethylation in lignin model compounds, guaiacol and syringol, using protic ionic liquids (PILs) that act as both solvent and catalyst. Conductor‐like Screening Model for Real Solvents (COSMO‐RS) analysis identifies monoethanolammonium acetate ([MEOA][Ace]) as the most promising medium, attributed to its strong hydrogen bonding network and solvation ability. By integrating implicit and explicit solvation models, it is revealed that an acid‐catalyzed hydrolytic mechanism governs demethylation, with PILs stabilizing crucial transition states and intermediates. Complementary electronic structure evaluations, including highest occupied molecular orbital–lowest unoccupied molecular orbital (HOMO‐LUMO) gap analysis, charge distribution, and electrostatic potential mapping, demonstrate how PILs lower energetic barriers and enhance reactivity. To simulate realistic environments, this study is extended to lignin dimer complexes with varying water content, uncovering how water‐bridged solvation reverses demethylation preference from guaiacyl to syringyl units. This mechanistic shift aligns with experimental observations showing faster S‐unit reactivity in hydrated systems. Together, these findings provide atomic‐level insight into lignin demethylation dynamics and highlight how tuning acid concentration in PILs can accelerate kinetics, enabling a rational pathway toward next‐generation biomass conversion technologies.

COSMO-RS↗
DOE OSTI2021

3D printing of anisotropic Sm–Fe–N nylon bonded permanent magnets

Abstract Fabricating a bonded magnet with a near‐net shape in suitable thermoplastic polymer binders is of paramount importance in the development of cost‐effective energy technologies. In this work, anisotropic Sm 2 Fe 17 N 3 (Sm–Fe–N) bonded magnets are additively printed using SmFeN anisotropic magnetic particles in a polymeric binder polyamide‐12 (PA12). The anisotropic SmFeN bonded magnets are fabricated by Big Area Additive Manufacturing followed by post‐printing alignment in a magnetic field. Optimal post‐alignment results in an enhanced remanence of ∼0.68 T in PA12 reflected in a parallel‐oriented (aligned) measured direction. The maximum energy product achieved for the additively printed anisotropic bonded magnet of Sm–Fe–N in PA12 polymer is 78.8 KJ m −3 . Our results show advanced processing flexibility with 3D printing of the development of SmFeN nylon bonded magnets designed for applications with no critical rare earth magnets.

42 ENGINEERING↗
DOE OSTI2026

Search for Higgs boson production at high transverse momentum in the WW decay channel in proton-proton collisions at $\sqrt{s}=13$ TeV

A search for Higgs boson (H) production at high transverse momentum (p T ) in the WW decay channel is presented. The analysis uses proton-proton collisions at $\sqrt{s}=13$ TeV recorded by the CMS experiment in 2016–2018, corresponding to an integrated luminosity of 138 fb −1 . The visible decay products of the Higgs boson are reconstructed as a single large-radius jet with one isolated lepton or none (1ℓ and 0ℓ, respectively; ℓ = e, μ). The H-candidate jets are identified using an advanced transformer-based algorithm and are calibrated with the Lund jet plane reweighting technique. The 1ℓ channel is further split into gluon fusion, vector boson fusion, and associated production with hadronically decaying vector boson categories, while the 0ℓ channel considers all production processes inclusively. The measured cross section times the H → WW branching fraction relative to the standard model expectation is $\mu =-{0.19}_{-0.46}^{+0.48}$, indicating no evidence of a signal above the background. This measurement represents the first dedicated study of highly Lorentz-boosted H → WW decays, complementing earlier searches for high-p T Higgs boson in other decay channels.

Hadron-Hadron Scattering↗
DOE OSTI2026

Search for Higgs boson pair production in the $\mathrm{b}\overline{\mathrm{b}}\mathrm{WW}$ decay channel with two leptons in the final state using proton-proton collision data at $\sqrt{s}=13.6$ TeV

A search for Higgs boson pair production is presented, targeting final states where one Higgs boson decays to a bottom quark-antiquark pair and the other Higgs boson decays to two W bosons, both of which decay leptonically, to an electron or a muon, and a neutrino. For the first time, the search is conducted with proton-proton collision data from the LHC at $\sqrt{s}=13.6$ TeV, recorded with the CMS detector in 2022 and 2023 and corresponding to an integrated luminosity of 62 fb −1 . The results are consistent with the standard model predictions. An upper limit of 12.0 times the standard model prediction at 95% confidence level is set on the Higgs boson pair production cross section, with an expected limit of 18.5. The results are also used to constrain the strength of the trilinear self-coupling of the Higgs boson, as well as of the quartic coupling between two Higgs bosons and two vector bosons.

Hadron-Hadron Scattering↗
DOE OSTI2026

Measurement of the top quark pair production cross section in PbPb collisions at $\sqrt{s_{\mathrm{NN}}}=5.36$ TeV

The inclusive cross section for top quark pair ($\mathrm{t}\overline{\mathrm{t}}$) production in lead-lead (PbPb) collisions is reported for the first time at a center-of-mass energy per nucleon pair of 5.36 TeV. The analysis uses data corresponding to an integrated luminosity of 1.58 nb −1 collected by the CMS experiment at the CERN LHC in 2023. The $\mathrm{t}\overline{\mathrm{t}}$ production cross section, ${\sigma}_{\mathrm{t}\overline{\mathrm{t}}}={3.42}_{-0.51}^{+0.54}{\left(\mathrm{stat}\right)}_{-0.43}^{+0.50}\left(\mathrm{syst}\right)$ μb, is measured in dilepton final states using a fit to a multivariate discriminator that combines the decay electron and muon kinematic properties with the multiplicity of bottom quark jets. The result is consistent with perturbative quantum chromodynamics calculations at next-to-next-to-leading order (NNLO) accuracy employing several nuclear parton distribution functions. In addition, the Drell–Yan production cross section (σ DY ) for dilepton masses above 10 GeV and the ratio of $\mathrm{t}\overline{\mathrm{t}}$ to DY cross sections $\left({R}_{\mathrm{t}\overline{\mathrm{t}}/\mathrm{DY}}\right)$ are found to be compatible with the NNLO predictions. The observables ${\sigma}_{\mathrm{t}\overline{\mathrm{t}}}$, σ DY , and ${R}_{\mathrm{t}\overline{\mathrm{t}}/\mathrm{DY}}$ are measured separately for central and semicentral PbPb collisions to investigate for the first time the dependence of top quark production on the collision impact parameter.

Heavy Ion Experiments↗
DOE OSTI2025

Material extrusion with integrated compression molding of NdFeB/SmFeN nylon bonded magnets using small- and large-scale pellet-based 3D-printers

High-density bonded rare-earth magnets are manufactured using pellet-fed additive manufacturing (AM)/material extrusion and an integrated additive manufacturing-compression molding (AM-CM) process. Neodymium iron boron – samarium iron nitride in polyamide 12 (NdFeB-SmFeN/PA12) of 93 % weight fraction (65 % volume fraction) are used for the study. The mechanical properties (tensile strength and modulus), magnetic properties (maximum energy density, coercivity, remanence) are reported. Manufacturing parameters such as layer height, barrel temperatures, screw speed and gantry feed rate are optimized to obtain the highest possible density of the magnets using a small-scale desktop material extrusion printer. Large scale integrated additive manufacturing-compression molding (AM-CM) is then utilized to increase the density of the magnets by reducing porosity defects common in the material extrusion process. The density of as-printed magnets was 5.2 g/cm 3 with a BH max value of 124.14 kJ/m 3 , tensile strength of 20 MPa and a modulus of 2 GPa. AM-CM increased the density of the compound by 5.5 % (5.49 g/cm 3 ). The reduction in porosity was confirmed using X-ray tomography (XCT). Improvement in mechanical strength of the material was also observed, with an increase in tensile strength of 25 % (25.09 MPa) and increase in tensile modulus of 275 % (5.49 GPa). Scanning electron microscopy showed increased particle-matrix adhesion with the integrated AM-CM process.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Persistence of bacterial-mediated anti-rotifer protection in preliminary outdoor cultivation trial for Microchloropsis salina

Outdoor algal cultivation systems are susceptible to a wide variety of deleterious species. In previously published studies, we observed protection using microbial consortia at laboratory scale cultures; Microchloropsis salina in the presence of microbial consortia were protected from grazing from the marine rotifer, Brachionus plicatilis. Our objective for the present work was to determine if this protection conferred by microbial consortia in controlled laboratory experiments would persist in an open, outdoor multi-liter cultivation system. We found that algal protection did persist as evidenced by the presence of fewer motile rotifers and decreased rotifer-associated egg counts for the consortia-treated outdoor cultures. Due to the low temperature and light conditions that reduced growth of the algae outdoors, we performed an indoor laboratory assay which also confirmed the persistence of algal protection. Lastly, the lower numbers of motile rotifers and fewer rotifer-associated eggs in the consortia-treated algal cultures suggests a possible protective mechanism by the consortia through interfering with the rotifer lifecycle or reproduction. Finally, these initial results support the possibility that low cost, prophylactic treatments with microbial consortia can protect algae from deleterious species in outdoor cultivation systems.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Functionalized benzylamines from commercial kraft lignin

Benzylamines are key intermediates in pharmaceuticals, agrochemicals, and polymers, but their conventional production relies on benzyl chloride - a petroleum-derived compound with high toxicity and energy demands. Lignin, accounting for up to 30% of plant biomass, is the largest renewable source of aromatic carbon on Earth. However, its highly complex and recalcitrant structure poses a major barrier to efficient conversion into high-value chemicals. Here, in this study, we developed a catalytic approach to convert commercial kraft lignin into phenolic benzylamines through selective depolymerization and subsequent functionalization. We systematically evaluated the effects of three alcohol solvents, formic acid (FA), and a ruthenium-on‑carbon (Ru/C) catalyst on monophenol yield and selectivity. Up to 6.5 wt% monophenol yield was achieved using methanol (MeOH), FA, and Ru/C at 300 °C for 2 h. Quantum thermodynamic simulations based on the COSMO-RS model confirmed the superior solvation and reactivity of the MeOH + FA system, rationalizing observed product yield. The purified monophenolic products, primarily guaiacol and alkyl guaiacols, were then converted into functionalized benzylamines with >90% yield via a multicomponent Mannich reaction under mild conditions. Techno economic analysis (TEA) and life cycle assessment (LCA) underscore the importance of improving lignin depolymerization yields and expanding biorefinery scale. Solvent-only configurations outperform other options in both cost and emissions, with the methanol-only case performing the best ($\$$105 /kg and 26 kg CO 2e /kg) at a large-scale facility. This study establishes a scalable, bio-based pathway for producing benzylamines from commercial kraft lignin, advancing lignin valorization and offering a sustainable alternative to produce petrochemical-based benzylamines.

Catalytic reduction↗
DOE OSTI2025

Component Identification of Solid Biomass Fuels Using Reflected Light Microscopy: Interlaboratory Study 2

As nations transition toward sustainable energy systems, biomass has become a vital component of global energy portfolios. Derived from organic materials such as wood, agricultural residues, forestry byproducts, and organic waste, biomass is a renewable energy source with significant environmental and economic benefits. Responsible biomass energy production can improve waste management, reduce emissions of greenhouse gases, and mitigate environmental pollution. However, as the diversity of biomass-derived fuels increases, robust quality assessment methods are essential to ensure their efficiency, safety, and minimal environmental impact. Reflected light microscopy (RLM) is one such technique with the potential to complement conventional physico-chemical analyses by enabling a rapid identification of material constituents and impurities. To refine this methodology and evaluate the reproducibility of solid biomass component identification using RLM, an interlaboratory study (ILS) was conducted. The study involved the recognition of 58 components across 45 photomicrographs, with the participation of 65 scientists and students from 25 countries. The participants faced high difficulty identifying some of the marked components, and as a result, the percentage of correct answers ranged from 19.0 % to 98.3 %, with an average correct identification rate of 62.7 %. The most challenging aspects of the identification process included distinguishing between woody and non-woody (agro) biomass, accurately identifying petroleum-derived materials, and differentiating agro biomass from inorganic matter. The results suggest that while RLM is an important tool for characterizing solid biomass, further development of methodology guidelines and training are necessary to enhance its effectiveness. Future research should prioritize preparing detailed, image-rich, microscopic morphological descriptions of biomass fuel components, which could improve the accuracy and reliability of using RLM in biomass fuel characterization.

09 BIOMASS FUELS↗
DOE OSTI2025

Understanding the impacts of inorganic species in woody biomass for preprocessing and pyrolysis–A review

Woody biomass represents an abundant resource for sustainable biofuels, biochemicals, and bioproducts. Technologies for converting woody biomass have been established for decades, and research consistently highlights the critical role of inorganic species and ash plays in feedstock handling and conversion processes, including equipment plugging, corrosion, and catalyst deactivation. A thorough understanding of the variability, transport behavior, and downstream impact of inorganic species in woody biomass is essential for defining feedstock quality specifications and developing effective management strategies for conversion processes. This review compiles critical information in five main sections: 1) inorganic species concentration in woody biomass, based on anatomical fractions and their sources of variability; 2) technique features for quantifying inorganic elemental chemical analysis; 3) impacts of inorganic species on biomass preprocessing; 4) impacts of inorganic species on pyrolysis, and 5) mitigation strategies. Additionally, this review explores future challenges and opportunities in addressing the impacts of inorganic species on biomass quality. These insights aim to support the sustainable development of the biomass-to-bioenergy pipeline and ensure high-quality lignocellulosic feedstocks for efficient downstream conversions. The findings offer valuable guidance to policy makers, industry stakeholders, and researchers in developing effective strategies for managing inorganic species in woody biomass and fostering the sustainable processes for lignocellulosic biorefineries.

09 BIOMASS FUELS↗