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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Catalytic Borylation of Poly(vinyl chloride) Produces Adhesive Materials

Postpolymerization functionalization of polymers can create new applications for existing materials, while retaining their most favorable, intrinsic properties. Polyvinyl chloride (PVC) is a widely used, commodity polymer that is particularly challenging to modify. We report a copper-catalyzed protocol that replaces a small fraction of the C-Cl bonds in PVC with C-B bonds to boronic esters. The reaction occurs with an inexpensive catalyst comprising copper(II) chloride and an NHC ligand derived from a common ionic liquid that is distinct from the N-heterocyclic carbene (NHC) used for the borylation of small alkyl halides. The resulting materials adhere strongly to common surfaces, such as glass and metals, even more strongly than do commercial glues.

D’Angelo, Kyan A↗
DOE OSTI2025

Carbon in GaN as a nonradiative recombination center

Trap-assisted nonradiative recombination has been shown to limit the efficiency of optoelectronic devices. While substitutional carbon (⁠C N ) has been suggested to be a nonradiative recombination center in GaN devices, a complete recombination cycle including the two charge-state transition levels has not been previously described. In this work, we investigate the trap-assisted recombination process due to C N in GaN, including multiphonon emission, radiative recombination, trap-assisted Auger–Meitner (TAAM) recombination as well as thermal emission of holes. Our study shows the key role of TAAM processes at the high carrier densities relevant for devices. We also reveal the carrier-density regimes where thermal emission and radiative recombination are expected to play an observable role. Our results highlight that carbon concentrations exceeding ~10 17 cm −3 can have a noticeable impact on device efficiency, not just in GaN active layers but also in InGaN and AlGaN. Furthermore, our comprehensive formalism not only offers detailed results for carbon but also provides a general framework for assessing the multiple processes that participate in trap-assisted recombination in semiconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Advanced-Research-on-Integrated-Energy-Systems-Based Analysis to Support Resilient System Upgrades: Energy to Communities Energyshed In-Depth Partnership with Molokai, Hawaii

The Molokai, Hawaii, Energy to Communities (E2C) Energyshed project represents a collaborative effort between the National Laboratory of the Rockies, Shake Energy Collaborative, the Molokai Clean Energy Hui, Sustainable Molokai, and Ho'ahu Energy Cooperative Molokai to advance Molokai's Community Energy Resilience Action Plan (CERAP). Supported by Hawaiian Electric Company and the Hawaii State Energy Office, the initiative aims to develop a community-defined portfolio of renewable energy solutions that enhance energy resilience while aligning with the Hawaiian Electric Integrated Grid Plan (IGP) and Molokai's energy goals. Phase 1 focused on technical analyses and community engagement to co-design feasible energy scenarios. Challenges such as grid upgrades, storage sizing, and inverter ride-through standards were addressed to align technical and operational requirements with community preferences. The project equips Molokai with actionable data and insights to implement energy initiatives while ensuring resilient and culturally informed solutions. Future efforts aim to finalize project designs, secure interconnection agreements, and deploy energy projects that reflect community priorities and technical feasibility.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

A comparison of compact, presumably young with extended, evolved radio active galactic nuclei

Context.The triggering and evolution of active galactic nuclei (AGNs) and the interaction of the AGN with its host galaxy is an important topic in extragalactic astrophysics. Radio sources with peaked spectra (peaked spectrum sources, PSS) and compact symmetric objects (CSO) are powerful, compact, and presumably young AGNs and therefore particularly suitable to study aspects of the AGN-host connection. Aims.We use a statistical approach to investigate properties of a PSS-CSO sample that are related to host galaxies and could potentially shed light on the link between host galaxies and AGNs. The main goal is to compare the PSS-CSO sample with a matching comparison sample of extended sources (ECS) to see if the two have significant differences. Methods.We analysed composite spectra, diagnostic line diagrams, multi-band spectral energy distributions (MBSEDs), star formation (SF) indicators, morphologies, and cluster environments for a sample of 121 PSSs and CSOs for which spectra are available from the Sloan Digital Sky Survey (SDSS). The statistical results were compared with those of the ECS sample, where we generally considered the two subsamples of quasi-stellar objects (QSOs) and radio galaxies separately. The analysis is based on a large set of archival data in the spectral range from the ultraviolet to mid-infrared. Results.We find significant differences between the PSS-CSO and the ECS sample. In particular, we find that the ECS sample has a higher proportion of passive galaxies with a lower star formation activity. This applies to both sub-samples (QSOs or radio galaxies) as well as to the entire sample. The star formation rates of the PSS-CSO host galaxies with available data are typically in the range ∼0 to 5 ℳ ⊙ yr −1 , and the stellar masses are in the range 3 × 10 11 to 10 12 ℳ ⊙ . Secondly, in agreement with previous results, we find a remarkably high proportion of PSS-CSO host galaxies with merger signatures. The merger fraction of the PSS-CSO sample is 0.61 ± 0.07, which is significantly higher than that of the comparison sample (0.15 ± 0.06). We suggest that this difference can be explained by assuming that the majority of the PSSs and CSOs cannot evolve to extended radio sources and are therefore not represented in our comparison sample.

Astronomy & Astrophysics↗
DOE OSTI2026

Modeling the Potential Impact of Storage on the US Power Sector in a Multisector Dynamic Context

The electric power sector is expected to grow in size, importance, and complexity around the world as economies expand and electric supply technologies and demand patterns evolve in significant ways. At the same time the electric power sector may see substantial increases in VRE generating technologies which can add variability and uncertainty to the diurnal and seasonal profile of electric supply. With these forces in play, the emergence of modular, flexible electricity storage technologies may have profound impacts on the operation of electric power systems. Here we reduce a storage modeling gap in MSD models by incorporating grid-based electricity storage into the electric sector dynamics of the Global Change Analysis Model-USA (GCAM-USA) with improved power sector representation. We find a potentially significant role for storage technologies in the future of the U.S. power system, with storage capacity ranging from 7.7 to 14.7 GW in 2050 and 13.9 to 31.6 GW in 2100 across several techno-economic scenarios. We also find that storage can help to smooth variability in residual load arising from evolving electricity demands and the introduction of high shares of VRE to the electric grid. This reduces reliance on high-cost peaking generators, improves system-wide capacity factors, and limits curtailment of VRE.

Patel, Pralit L.↗
DOE OSTI2025

Development of a high fidelity CFD model for solvent evaporation and transport in porous structure during battery electrode drying

An efficient battery manufacturing process is the key to the mass production of Electric Vehicles (EV), in which drying is one of the most energy-intensive steps significantly influencing the battery cell performance. An accurate 3D CFD model for drying is essential for predicting the drying mechanism and optimizing its parameters. By optimizing the drying process, it is possible to reduce energy consumption and cost during battery manufacturing, minimize binder loading and maximize active material loading to achieve superior electrochemical performances and facilitate wider and faster public adoption of EV. This project aims to optimize the drying process during electrode manufacturing by leveraging high-fidelity, porous electrode simulations for solvent evaporation. By optimizing this process, we seek to reduce energy consumption during battery manufacturing, while minimizing binder loading and maximizing active material loading, with the overall goal of enhancing electrical vehicle performance.

Horner, Jeffrey Scott [Sandia National Laboratorie↗
DOE OSTI2025

Propane Activation on Pt Electrodes at Room Temperature: Quantification of Adsorbate Identity and Coverage

Abstract C−H bond activation is the first step in manufacturing chemical products from readily available light alkane feedstock and typically proceeds via carbon‐intensive thermal processes. The ongoing emphasis on decarbonization via electrification motivates low‐temperature electrochemical alternatives that could lead to sustainable chemicals production. Platinum (Pt) electrocatalysts have shown activity towards reacting alkanes; however, little is known about propane electrocatalytic activation and conditions suitable for enabling selective oxidation to valuable products. Herein, we utilize a combination of electrochemical mass spectrometry (ECMS) and density functional theory (DFT) calculations to elucidate the potential dependence of propane activation on Pt electrocatalysts. Results show a strong dependence of adsorption on the applied potential in room‐temperature aqueous acidic electrolyte, with a maximum coverage of propane‐derived adsorbates at 0.30 V vs RHE. Using charge deconvolution and deuterated experiments, the mechanism of adsorption was elucidated, and C 3 H 2 * was determined as the average dehydrogenated propane‐derived adsorbate species. DFT calculations further corroborate these results, showing that the formation of deeply dehydrogenated species is energetically accessible at room temperature. The combined theoretical and experimental findings yield insights for selective activation of paraffinic C−H bonds at room temperature, aqueous conditions—a critical step towards decarbonized chemical manufacturing.

Chemistry↗
DOE OSTI2023

Nonlinear Loss Engineering in Near‐Zero‐Index Bulk Materials

Transparent conducting oxides (TCOs) show unprecedented optical nonlinearities in the near infrared wavelength range, where the real part of their linear refractive index approaches zero. More specifically, the Kerr nonlinearities of these materials have sparked widespread attention due to their magnitude and speed. However, due to the absorptive nature of these nonlinear processes, it is of fundamental interest to further investigate the imaginary component of the nonlinear index. The present work studies the nonlinear optical absorption properties of aluminium‐doped zinc oxide (AZO) thin films in their near‐zero‐index (NZI) spectral window. It is found that the imaginary part of the refractive index is reduced under optical excitation such that the field penetration depth more than doubles. An optically induced shift of the NZI bandwidth of ≈120 nm for a pump intensity of 1.3 TW cm −2 is also demonstrated. Looking into the optically induced spectral redistribution of the probe signal, local net gain is recorded, which is ascribed to a nonlinear adiabatic energy transfer. The present study adds key information about the fundamental interplay between real and imaginary nonlinear indices in NZI media, while advancing parametric amplification as viable direction for loss compensation.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Establishing accretion flares from supermassive black holes as a source of high-energy neutrinos

ABSTRACT The origin of cosmic high-energy neutrinos remains largely unexplained. For high-energy neutrino alerts from IceCube, a coincidence with time-variable emission has been seen for three different types of accreting black holes: (1) a gamma-ray flare from a blazar (TXS 0506+056), (2) an optical transient following a stellar tidal disruption event (TDE; AT2019dsg), and (3) an optical outburst from an active galactic nucleus (AGN; AT2019fdr). For the latter two sources, infrared follow-up observations revealed a powerful reverberation signal due to dust heated by the flare. This discovery motivates a systematic study of neutrino emission from all supermassive black hole with similar dust echoes. Because dust reprocessing is agnostic to the origin of the outburst, our work unifies TDEs and high-amplitude flares from AGN into a population that we dub accretion flares. Besides the two known events, we uncover a third flare that is coincident with a PeV-scale neutrino (AT2019aalc). Based solely on the optical and infrared properties, we estimate a significance of 3.6σ for this association of high-energy neutrinos with three accretion flares. Our results imply that at least ∼10 per cent of the IceCube high-energy neutrino alerts could be due to accretion flares. This is surprising because the sum of the fluence of these flares is at least three orders of magnitude lower compared to the total fluence of normal AGN. It thus appears that the efficiency of high-energy neutrino production in accretion flares is increased compared to non-flaring AGN. We speculate that this can be explained by the high Eddington ratio of the flares.

Astronomy & Astrophysics↗
DOE OSTI2025

Selective Binding and Light-Driven Release of Fluorous PF 6 – and Radioactive 99 TcO 4 – Anions for All-to-Nothing Liquid–Liquid Extraction

The removal of anions from aqueous media using molecular receptors in liquid–liquid extraction is a long-standing strategy to clean up contaminated water sources. Therein, high selectivity is needed to remove specific ions from mixtures of other ions, and high affinity provides extractions at low concentrations. However, the high affinity creates a conundrum by impeding the release of the ions in any stripping steps needed for further processing. To circumvent this problem, light-responsive receptors have been proposed as candidates for turning off the binding, but they are currently untested in liquid–liquid extraction. We tested the feasibility of light-driven release using a cyanostar macrocycle. We demonstrate the selective extraction of PF$^{–}_{6}$ anions over large excesses of competing anions (Cl – , NO$^{–}_{3}$, SO$^{2–}_{4}$) followed by photodriven release for quantitative isolation of the target. Release relies on photoisomerization of the macrocycle’s five stilbenes generating distorted isomers to turn off binding. With modest reversibility, only a single-shot release was demonstrated, akin to photodriven uncaging. These methods were extended to the capture and photodriven release of ReO$^{–}_{4}$ and radioactive 99 TcO$^{–}_{4}$ anions at ∼90% efficiency. Extraction was demonstrated down to the highly dilute 4 ppb levels of the 99 TcO$^{–}_{4}$ anion. Furthermore, this proof-of-concept demonstration verifies the use of a large change in affinity for the all-to-nothing capture and release of target anions between liquid phases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Mechanics and Cooling of the CMS Phase-II Tracker Barrel

The CMS upgrade for the High-Luminosity LHC (HL-LHC) era will allow for an incredibly high rate of data collection, to be used in the next generation of precision measurements and searches for beyond the standard model physics. A key element of this upgrade is the full replacement of the silicon strip tracker to enable level-1 triggering on track level primitives, produced by pixel-strip (PS) and strip-strip (2S) modules, tiled together to form the new detector. Mechanically supporting and cooling these modules is not trivial, as material budget in the tracker volume is highly constrained, and as the modules accrue radiation damage they risk becoming entirely non-functional if the silicon sensors are not sufficiently cooled. To address this, each region of the tracker has a bespoke solution for housing and cooling their modules, mostly depending on carbon-fiber and carbon-foam structures, with dual phase CO2 cooling. For the most central part of the tracker, the Flat Barrel with PS modules (Flat TBPS) covers the pseudorapidity range out to $|\eta|=0.4$, and the mechanical structures are manufactured, assembled, and tested entirely by Fermilab and UC Davis. This presentation will describe the intense design and testing requirements for these components, and how they will ensure strong performance of the tracker through the HL-LHC era.

Cosby, Christopher [Fermilab]↗
DOE OSTI2026

Phase Stability and Electrochemical Performance of La-Site-Doped Li6La3Zr0.5Nb0.5Ta0.5Hf0.5O12 High-Entropy Garnets

We investigate La-site substitution in the high-entropy garnet Li6La3Zr0.5Nb0.5Ta0.5Hf0.5O12 (LLZNTH) using Ba2+, Sr2+, and Sm3+ to elucidate how dopant governs phase stability, Li-site distribution, and electrochemical behavior. X-ray diffraction shows that Sr2+ is incorporated homogeneously into the garnet lattice, whereas the larger Ba2+ and smaller Sm3+ ions partially exceed the structural tolerance, generating secondary phases. Nevertheless, the Sm-doped composition (x = 0.05) exhibits the highest room-temperature ionic conductivity (2.7 × 10–4 S cm–1). Neutron powder diffraction reveals that Sm substitution drives a redistribution of Li+ from the tetrahedral 24 d sites into the higher-mobility 96 h positions, enhancing the connectivity of the three-dimensional Li-ion migration network. A Sm-doping series (x = 0.01–0.05) further shows that only sufficiently high Sm levels induce this redistribution, whereas lower concentrations retain Li arrangements similar to the undoped garnet. Critical current density measurements demonstrate that La-site dopants also influence interfacial stability against Li metal, underscoring a trade-off between bulk transport enhancement and mechanical robustness. Collectively, these findings reveal that in high-entropy garnets improved ionic conductivity can originate not only from phase-pure structures but also from targeted modification of the Li sublattice, even when accompanied by secondary phases, offering a compositional design principle for garnet electrolytes.

Li, Chang [Mechanical Engineering, School of Scien↗
DOE OSTI2026

Revealing Hidden Quinones Through Diagnostic MS² Fragmentation of Peptide–Quinone Adducts

Quinones are redox-active components of natural organic matter that mediate electron transfer and influence biogeochemical processes, but many quinones in pyrogenic organic matter (PyOM) remain unresolved because they ionize poorly by mass spectrometry. Here, we present a peptide-tagging approach to improve detection of cysteine-reactive electrophiles in PyOM, with quinones expected to be a dominant subset based on reaction chemistry and selectivity experiments. A cysteine-containing peptide was used to form Michael-addition adducts, enhancing electrospray ionization and enabling untargeted screening by high-performance liquid chromatography-high-resolution tandem mass spectrometry. The method was benchmarked with five quinone standards and applied to extracts from charred plant material as a discovery-level screen for cysteine-reactive targets. We identified 98 quinone-candidate adducts (mean neutral mass ~603 Da), of which more than 70% were not detectable in native MS1 data. Among formula-assigned features, hidden quinone candidates had median (O+N)/C of 0.391 and normalized oxidation state of carbon of -0.281, consistent with relatively low polarity and low oxidation state. These results reveal a previously inaccessible pool of hidden redox-active compounds in PyOM and provide a framework for prioritizing quinone-like electrophiles for confirmation and incorporation into models of fire-driven biogeochemical cycling.

LC-MS/MS↗
DOE OSTI2025

Utility Experience with Inverter Based Resource Impacts on Transmission Protection

High penetration of inverter-based resources (IBR) can adversely affect the transmission protection schemes in the area. With the proliferation of IBRs, utilities are finding out that conventional protection schemes are not adequately equipped to protect the electric systems because the existing system has been designed based on the fault current response of conventional rotating-machine-based generators. In several cases, the available literature does not provide any clear solution for the issues when the protection scheme does not operate properly near IBRs. This report identifies various protection challenges due to IBRs that industry is facing, from the utility perspective. It includes a broad review of all challenges that system protection has experienced so far with high penetration of IBRs. Key issues have been identified based on a survey of different utility protection engineers. Finally, fault event recordings are shown to demonstrate some actual cases of mis-operations of relays near IBRs.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

An Overview of Electric Vehicle Load Modeling Strategies for Grid Integration Studies

The adoption of electric vehicles (EVs) has emerged as a solution to reduce greenhouse gas emissions in the transportation sector, which has motivated the implementation of public policies to promote their use in several countries. However, the high adoption of EVs poses challenges for the electricity sector, as it would imply an increase in energy demand and possible impacts on the power quality (PQ) of the power grid. Therefore, it is important to conduct EV integration studies in the power grid to determine the amount that can be incorporated without causing problems and identify the areas of the power sector that will require reinforcements. Accurate EV load patterns are required for this type of study that, through mathematical modeling, reflect both the dynamic behavior and the factors that influence the decision to recharge EVs. This article aims to present an overview of EVs, examine the different factors considered in the literature for modeling EV load patterns, and review modeling methods. EV load modeling methods are classified into deterministic, statistical, and machine learning. The article shows that each modeling method has its advantages, disadvantages, and data requirements, ranging from simple load modeling to more accurate models requiring large datasets.

Computer Science↗
DOE OSTI2025

The Role of Asparagine as a Gatekeeper Residue in the Selective Binding of Rare Earth Elements by Lanthanide‐Binding Peptides

Abstract Lanthanide‐binding tag (LBT) peptides selectively complex lanthanide cations (Ln 3+ ) in their binding pockets and are promising for lanthanide separation. However, designing LBTs that selectively target specific Ln 3+ cations remains a challenge due to limited molecular‐level understanding and control of interactions within the lanthanide‐binding pocket. In this study, we reveal that the N5 asparagine residue acts as a gatekeeper in the binding pocket, resulting in a 100‐fold selectivity for smaller Lu 3+ over larger La 3+ cations. Nuclear magnetic resonance spectroscopy and molecular dynamics simulations show that the N5 residue weakly binds to the larger La 3+ cation, permitting H 2 O molecules inside the pocket. For the smaller Lu 3+ cations, the N5 residue forms an inter‐arm hydrogen bond with the E14 glutamic acid residue, locking the Lu 3+ cation in the pocket and preventing H 2 O infiltration. Mutating the N5 asparagine to a D5 aspartic acid prevents such a hydrogen bond, eliminating the gatekeeping mechanism and precipitously reducing selectivity. The resulting binding affinity to Ln 3+ cations is non‐monotonic but generally increases with cation size. These results suggest a molecular design paradigm: the reduced affinity for larger lanthanides is due to open pocket conformations, while the selectivity of smaller Ln 3+ cations over larger ones is due to the gatekeeping hydrogen bond.

Chemistry↗