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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 271 records · Page 15

THz Radar Observations of Hydrometeors in a Spray Chamber

Abstract A THz radar, with its wide bandwidth, is capable of high‐resolution imaging down to the centimeter scale. In this study, a THz radar is applied to detect hydrometeors generated in a spray chamber. The observed backscattering signals show fluctuations at centimeter scales, indicating various hydrometeor distribution patterns along the radar beam. A co‐located High‐Speed Imaging (HSI) sensor is used to measure the Drop Size Distributions (DSD) in the spray chamber. The radar sampling beam is well aligned with the HSI probes, allowing an objective comparison between the remote sensing and in situ observations. In this study, the observed radar power is compared with the power estimated from the HSI measurements. Results show great consistency, with power difference smaller than 0.5 dB. This study demonstrates the feasibility and great potential of using a THz radar for ultra‐high‐resolution observations of clouds in a laboratory facility, and in the real atmosphere.

54 ENVIRONMENTAL SCIENCES↗

Improving DFIG performance under fault scenarios through evolutionary reinforcement learning based control

The double-fed induction generator (DFIG) usually experiences high rotor current and DC capacitor link voltage during system fault events. In this paper, a novel data-driven approach is proposed to enhance the DFIG performance under fault scenarios. An advanced reinforcement learning (RL) algorithm called guided surrogate-gradient-based evolution strategy (GSES) is used to control the DFIG power and capacitor DClink voltage by adjusting the optional reference signals. This controller is able to prevent the rotor of DFIG from overcurrent risk and maintain the grid-connected operation. The proposed GSES-based control algorithm was evaluated through simulations on a 3.6-MW DFIG in PSCAD/EMTDC software. Results have validated the effectiveness of the proposed GSESbased control algorithm in improving the DFIG performance under fault scenarios.

42 ENGINEERING↗

Theoretical formulation of phase space microbunching instability in the presence of intrabeam scattering for single-pass or recirculation accelerators

Microbunching instability (MBI) has been one of the most challenging issues in designs of high-brightness beam transport lines for single-pass or recirculating accelerators. Although the intrabeam scattering (IBS) has long been studied in lepton or hadron storage rings as a slow diffusion process or in high-intensity proton linear accelerators as one mechanism for the beam halo, the effects of IBS on single-pass or recirculating electron accelerators have drawn attention only in the recent two decades due to emergence of linac-based or energy-recovery-linac-based fourth-generation light sources, which require high-quality electron beams during the beam transport. In this paper we develop a theoretical formulation of microbunching instability in the presence of IBS for single-pass or recirculation accelerators. To quantify MBI with inclusion of IBS, we start from the Vlasov-Fokker-Planck (VFP) equation, combining both collective interactions and incoherent IBS effects. The linearized VFP equation and the corresponding friction and diffusion coefficients are derived. The evolutions of the resultant density and energy modulations are formulated as a set of coupled integral equations. The theoretical formulation is then applied to a recirculating beamline design. The results from the semianalytical calculation are compared and show good agreement with massive particle tracking simulations.

43 PARTICLE ACCELERATORS↗

Cascade CO 2 Insertion in Carbanion Ionic Liquids Driven by Structure Rearrangement

The CO 2 chemisorption in state-of-the-art sorbents based on oxide/hydroxide/amine moieties is driven by strong chemical bonding formation in the carbonate/bicarbonate/carbamate products, which in turn leads to high energy input in sorbent regeneration. In addition, the CO 2 uptake capacity was limited by the active sites’ utilization efficiency, with each active site incorporating one CO 2 molecule or less. In this work, a new concept and generation of sorbent was developed to achieve cascade insertion of multiple CO 2 molecules by leveraging structure rearrangement as the driving force, leading to in situ generation of extra CO 2 -binding sites and significantly reduced energy input for CO 2 release. The designed ionic liquids (ILs) containing carbanions with conjugated and asymmetric structure, deprotonated (methylsulfonyl)acetonitrile ([MSA]) anion, allowed the cascade insertion of two CO 2 molecules via consecutive C–C and O–C bond formations. The proton transfer and structure rearrangement of the carboxylic acid intermediates played critical roles in stabilizing the first integrated CO 2 and generating extra electron-rich oxygen sites for the insertion of the second CO 2 . The structure variation and reaction pathway were confirmed by operando spectroscopy, magnetic resonance spectroscopy (NMR), mass spectroscopy, and computational chemistry. The energy input in sorbent regeneration could be further reduced by harnessing the phase-changing behavior of the carbanion salts in ether solutions upon reacting with CO 2 , avoiding the energy consumption in heating the solvent. In conclusion, the fundamental insights obtained herein provide a promising approach to greatly improve the CO 2 sorption performance via sophisticated molecular-scale structural engineering of the sorbents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Photophysics of O-band and transition metal color centers in monolithic silicon for quantum communications

Color centers in the O-band (1260–1360 nm) are crucial for realizing long-coherence quantum network nodes in memory-assisted quantum communications. However, only a limited number of O-band color centers have been thoroughly explored in silicon hosts as spin-photon interfaces. This study explores and compares two promising O-band color centers in silicon for high-fidelity spin-photon interfaces: T and *Cu (transition metal) centers. During T center generation process, we observed the formation and dissolution of other color centers, including the copper-silver related centers with a doublet line around 1312 nm (*Cu$^0_n$), near the optical fiber zero dispersion wavelength (around 1310 nm). We then investigated the photophysics of both T and *Cu centers, focusing on their emission spectra and spin properties. The *Cu$^0_0$ line under a 0.5 T magnetic field demonstrated a 25% broadening, potentially due to spin degeneracy, suggesting that this center can be a promising alternative to T centers.

42 ENGINEERING↗

Halogenated Dibenzo[ f , h ]quinoxaline Units Constructed 2D‐Conjugated Guest Acceptors for 19% Efficiency Organic Solar Cells

Abstract Halogenation of Y‐series small‐molecule acceptors (Y‐SMAs) is identified as an effective strategy to optimize photoelectric properties for achieving improved power‐conversion‐efficiencies (PCEs) in binary organic solar cells (OSCs). However, the effect of different halogenation in the 2D‐structured large π‐fused core of guest Y‐SMAs on ternary OSCs has not yet been systematically studied. Herein, four 2D‐conjugated Y‐SMAs (X‐QTP‐4F, including halogen‐free H‐QTP‐4F, chlorinated Cl‐QTP‐4F, brominated Br‐QTP‐4F, and iodinated I‐QTP‐4F) by attaching different halogens into 2D‐conjugation extended dibenzo[ f , h ]quinoxaline core are developed. Among these X‐QTP‐4F, Cl‐QTP‐4F has a higher absorption coefficient, optimized molecular crystallinity and packing, suitable cascade energy levels, and complementary absorption with PM6:L8‐BO host. Moreover, among ternary PM6:L8‐BO:X‐QTP‐4F blends, PM6:L8‐BO:Cl‐QTP‐4F obtains a more uniform and size‐suitable fibrillary network morphology, improved molecular crystallinity and packing, as well as optimized vertical phase distribution, thus boosting charge generation, transport, extraction, and suppressing energy loss of OSCs. Consequently, the PM6:L8‐BO:Cl‐QTP‐4F‐based OSCs achieve a 19.0% efficiency, which is among the state‐of‐the‐art OSCs based on 2D‐conjugated Y‐SMAs and superior to these devices based on PM6:L8‐BO host (17.70%) and with guests of H‐QTP‐4F (18.23%), Br‐QTP‐4F (18.39%), and I‐QTP‐4F (17.62%). The work indicates that halogenation in 2D‐structured dibenzo[ f , h ]quinoxaline core of Y‐SMAs guests is a promising strategy to gain efficient ternary OSCs.

14 SOLAR ENERGY↗

Correlation of Dimer-Linker-Induced Conformational Lock with Nonradiative Energy Loss in Organic Solar Cells

The efficiencies of dimer-based devices still lag those of their small molecule-based counterparts. This is primarily due to the considerable dihedrals in the dimer skeleton, which compromises the molecular packing, thus influencing the charge generation and nonradiative voltage loss (ΔV oc,nr ). Herein, we developed two dimeric acceptors with varied π-linkers to investigate the influence of linker-induced conformational lock on ΔV oc,nr . We find that the helically lapped O-shaped dimer delivers better intermolecular packing than the planar S-shaped one that incorporates a bulkier π-linker. However, its planar skeleton is instead more favorable for forming a compact and ordered stacking with the host acceptor in ternary blend. This possibly promotes exciton dissociation, thus reducing the nonradiative decay of excited states. Moreover, its longer exciton lifetime could offer additional charge-transfer channels. Finally, these contributions effectively minimize ΔV oc,nr to 0.195 eV, while delivering a high efficiency approaching 20% in the derived ternary device.

36 MATERIALS SCIENCE↗

Snowmass2021 Cosmic Frontier White Paper: Calibrations and backgrounds for dark matter direct detection

Future dark matter direct detection experiments will reach unprecedented levels of sensitivity. Achieving this sensitivity will require more precise models of signal and background rates in future detectors. Improving the precision of signal and background modeling goes hand-in-hand with novel calibration techniques that can probe rare processes and lower threshold detector response. The goal of this white paper is to outline community needs to meet the background and calibration requirements of next-generation dark matter direct detection experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Reciprocal Ternary Molten Salts Enable the Direct Upcycling of Spent Lithium‐Nickel‐Manganese‐Cobalt Oxide (NMC) Mixtures to Make NMC 622

Cathode active material is the most valuable component of spent lithium‐ion batteries, accounting for ≈30% of their overall value. Direct recycling of cathode materials involves recovering, regenerating, and reusing them without breaking down their chemical structure. This approach maximizes the added value of the cathode compound and reduces manufacturing costs by avoiding the need for virgin material production. However, one key challenge in scaling direct recycling from lab to industry is the requirement for highly purified cathode materials, contrasting with the low purity of black mass generated from battery shredding. No efficient separation process currently exists to isolate different lithium‐nickel‐manganese‐cobalt oxides (NMCs) from each other. Thus, direct recycling technologies that can operate with mixtures of multiple NMC stoichiometries will be best‐suited for industrial adoption. This study explores the direct recycling of NMC mixtures into NMC 622 using a “reciprocal ternary molten salts (RTMS)” system. Ionothermal relithiation and upcycling within the RTMS system successfully restore the layered structure, lithium content, and electrochemical performance of degraded NMCs, yielding results comparable to pristine NMC 622 (P‐NMC 622).

25 ENERGY STORAGE↗

Projected sensitivities of the LUX-ZEPLIN experiment to new physics via low-energy electron recoils

LUX-ZEPLIN is a dark matter detector expected to obtain world-leading sensitivity to weakly-interacting massive particles interacting via nuclear recoils with a ∼7-tonne xenon target mass. This paper presents sensitivity projections to several low-energy signals of the complementary electron recoil signal type: 1) an effective neutrino magnetic moment, and 2) an effective neutrino millicharge, both for 𝑝⁢𝑝-chain solar neutrinos, 3) an axion flux generated by the Sun, 4) axionlike particles forming the Galactic dark matter, 5) hidden photons, 6) mirror dark matter, and 7) leptophilic dark matter. World-leading sensitivities are expected in each case, a result of the large 5.6 t 1000 d exposure and low expected rate of electron-recoil backgrounds in the <100 keV energy regime. A consistent signal generation, background model and profile-likelihood analysis framework is used throughout.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Hydrogen and Electric Charging Infrastructure for Heavy-Duty Trucks: A Nationally Scalable Megaregion Assessment

Decarbonizing regional and long-haul freight is challenging due to the limitations of battery-electric commercial vehicles and infrastructure constraints. Hydrogen fuel cell medium- and heavy-duty vehicles (MHDVs) offer a viable alternative, aligning with the decarbonization goals of the Department of Energy and commercial entities. Historically, alternative fuels like compressed natural gas and liquefied propane gas have faced slow adoption due to barriers like infrastructure availability. To avoid similar issues, effective planning and deploying zero-emission hydrogen fueling infrastructure is crucial. This research develops deployment plans for affordable, accessible, and sustainable hydrogen refueling stations, supporting stakeholders in the decarbonized commercial vehicle freight system. It aims to benefit underserved and rural energy-stressed communities by improving air quality, reducing noise pollution, and enhancing energy resiliency. This research also provides a blueprint for replacing diesel in over-the-road Class 8 freight truck applications with hydrogen fueling solutions. The study focuses on the Texas Triangle Megaregion (I-45, I-35, and I-10), the I-10 corridor between San Antonio, TX, and Los Angeles, CA, and the I-5/CA-99 corridors between Los Angeles, CA, and San Francisco, CA. This area represents a significant portion of U.S. heavy-duty freight movement, carrying ~8.5% of the national freight volume. Using the OR-AGENT (Optimal Regional Architecture Generation for Efficient National Transport) modeling framework, the study conducts an advanced assessment of commercial vehicles, road and freight networks, and energy systems. The framework integrates data on freight mobility, traffic, weather, and energy pathways to deliver a region-specific, optimized vehicles powertrain architectures, infrastructure deployment solutions, operational logistics, and energy pathways. By considering all vehicle origin-destination pairs utilizing these corridors and all feasible fueling station location options, the framework's genetic algorithm identifies the minimum number and optimal locations of hydrogen refueling stations, ensuring no vehicle is stranded. It also determines fuel schedules and quantities at each station. A roadmap for station deployment based on multiple adoption trajectories ensures a strategic rollout of hydrogen refueling infrastructure.

Sujan, Vivek [ORNL] (ORCID:0000000269882342)↗

Controlling solute channel formation using magnetic fields

Solute channel formation introduces compositional and microstructural variations in a range of processes, from metallic alloy solidification, to salt fingers in ocean and water reservoir flows. Applying an external magnetic field interacts with thermoelectric currents at solid/liquid interfaces generating additional flow fields. This thermoelectric (TE) magnetohydrodynamic (TEMHD) effect can impact on solute channel formation, via a mechanism recently drawing increasing attention. To investigate this phenomenon, we combined in situ synchrotron X-ray imaging and Parallel-Cellular-Automata-Lattice-Boltzmann based numerical simulations to study the characteristics of flow and solute transport under TEMHD. Observations suggest the macroscopic TEMHD flow appearing ahead of the solidification front, coupled with the microscopic TEMHD flow arising within the mushy zone are the primary mechanisms controlling plume migration and channel bias. Two TE regimes were revealed, each with distinctive mechanisms that dominate the flow. Further, we show that grain orientation modifies solute flow through anisotropic permeability. These insights led to a proposed strategy for producing solute channel-free solidification using a time-modulated magnetic field.

36 MATERIALS SCIENCE↗

Influence of electrical field on the susceptibility of gallium nitride transistors to proton irradiation

Radiation susceptibility of electronic devices is commonly studied as a function of radiation energetics and device physics. Often overlooked is the presence or magnitude of the electrical field, which we hypothesize to play an influential role in low energy radiation. Accordingly, we present a comprehensive study of low-energy proton irradiation on gallium nitride high electron mobility transistors (HEMTs), turning the transistor ON or OFF during irradiation. Commercially available GaN HEMTs were exposed to 300 keV proton irradiation at fluences varying from 3.76 × 10 12 to 3.76 × 10 14 cm 2 , and the electrical performance was evaluated in terms of forward saturation current, transconductance, and threshold voltage. The results demonstrate that the presence of an electrical field makes it more susceptible to proton irradiation. The decrease of 12.4% in forward saturation and 19% in transconductance at the lowest fluence in ON mode suggests that both carrier density and mobility are reduced after irradiation. Additionally, a positive shift in threshold voltage (0.32 V and 0.09 V in ON and OFF mode, respectively) indicates the generation of acceptor-like traps due to proton bombardment. high-resolution transmission electron microscopy and energy dispersive x-ray spectroscopy analysis reveal significant defects introduction and atom intermixing near AlGaN/GaN interfaces and within the GaN layer after the highest irradiation dose employed in this study. According to in-situ Raman spectroscopy, defects caused by irradiation can lead to a rise in self-heating and a considerable increase in (∼750 times) thermoelastic stress in the GaN layer during device operation. The findings indicate device engineering or electrical biasing protocol must be employed to compensate for radiation-induced defects formed during proton irradiation to improve device durability and reliability.

gallium nitride↗

Extracting Critical Metals from Authentic Bauxite Residue

Securing domestic sources of critical minerals (CM) is paramount to ensuring a robust and self-sustaining technology infrastructure. Utilizing untapped non-conventional sources, like acid mine drainage, coal ash, bauxite residue/red mud, and more is an emerging approach that addresses this national concern while identifying new value-added pathways originating from waste streams. Red mud is a byproduct of the Bayer process that produces alumina and contains a wealth of CM – 50 µg/g Ga, 2.9 mg/g total rare earth elements plus yttrium, 12 mg/g Mn, 58 mg/g Al, and others. About 170 MM tonnes of red mud are co-produced annually alongside the 142 MM tonnes of alumina generated, highlighting the abundancy of this feedstock. In this work, different strategies were explored for extracting CM from authentic bauxite residue that involve thermal heating, microwave heating, and sonication all with different acids and buffers. CM recovery was then explored one step further by testing the adsorption of the extracted metals onto NETL’s Multi-functional Sorbent Technology (MUST). Microwave treatment of red mud proved the most effective CM extraction, whereas sonication was less desirable due to scale-up concerns. Successful recovery of CM from this leachate with MUST supports further studies toward optimizing the overall process.

bauxite residue↗

Grid Strength Assessment for High Levels of Inverter-based Resources in the Puerto Rico Power

A system-wide assessment of the Puerto Rico power system grid strength is studied when considering high levels of inverter-based resource penetration. This study is carried out in PSSE and assesses the impact of inverter-based resource (IBR) contributions in response to three-phase ground faults. A hypothetical 100% inverter-based generation scenario is created to assess the extreme impact on short circuit levels and a realistic scenario is considered to assess the impact to short circuit ratios. The overall conclusion is that short circuit capacity and current will drastically decrease in a high IBR scenario, an effect that is quantified in this paper. The short circuit ratio metric is typically used to assess the impact of IBR but generally overestimates grid strength due to not accounting for the impact from multiple IBRs. Other methods such as equivalent circuit based short circuit ratio and weighted short circuit ratio offer a more comprehensive consideration for multiple IBRs and can better account for their mutual interactions. The work presented in this paper is part of the PR100 study.

inverter based resources, PR100, grid strength↗

Training the next generation of researchers in exploring cloud dynamics and microphysics using millimeter-wavelength radars

Millimeter-wavelength radars, with their ability to collect observations and high spatiotemporal resolution, have become cornerstone instruments for investigating cloud and precipitation microphysics and dynamics in the last two decades. Since the1990s the US Department of Energy Atmospheric Radiation Measurement (ARM) program has invested in mm-wavelength radar technology progressively adding scanning capability, additional frequencies and polarimetric capability. In addition, atmospheric observatories including those technologies have been operated overseas. Those technologies have enhanced our understanding of cloud and precipitation processes. Only a few universities operate those instruments and use them for educational purposes. The central role of mm- wavelength radars and their role will be further highlighted in the next decade. NASA and other international space agencies are planning to launch millimeter-wavelength (i.e., Ku, Ka, W, G- bands) Doppler radar in space to improve our understanding of cloud and precipitation formation, evolution and their impacts on global climate.

54 ENVIRONMENTAL SCIENCES↗

Cryogenic Photoelectron Spectroscopic and Theoretical Study of the Electronic and Geometric Structures of Undercoordinated Osmium Chloride Anions OsCl n – ( n = 3–5)

A series of anionic transition metal halides OsCl n - (n=3–5) have been investigated using a newly developed, home-constructed, cryogenic anion cluster photoelectron spectroscopy. Here, the target anionic species are generated through collision-induced dissociation in a two-stage ion funnel. The measured vertical detachment energies (VDEs) are 3.48 eV, 4.54 eV, and 4.81 eV for n = 3, 4, and 5, respectively. Density functional theory calculations at the B3LYP-D3(BJ)//aug-cc-pVTZ (-pp) level predict the lowest energy structures of OsCl n - (n = 3–5) to be a quintet triangle, quartet square, and quintet square-based pyramid, respectively. The CCSD(T)-calculated VDEs and corresponding adiabatic detachment energies (ADEs) agree well with our experimental measurements. Analysis of the corresponding frontier molecular orbitals (FMOs) and charge density differences suggests that the d-orbitals of the transition metal Os play a primary role in the single-photon detachment processes, and the detached electrons originating from different molecular orbitals are distinguishable.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Synchrophasor Data Anomaly Detection on Grid Edge by 5G Communication and Adjacent Compute

The fifth-generation mobile communication (5G) technology offers the opportunities to enhance the grid real-time monitoring. The 5G-enabled phasor measurement units (PMUs) features flexible positioning and cost-effective long-term maintenance, without constraints of fixing wire. This paper is the first to demonstrate the applicability of 5G in PMU communication, and the experiment was carried out at Verizon non-standalone testbed at Pacific Northwest National Laboratory (PNNL) Advanced Wireless Communication lab. The performance of 5G-enabled PMU communication setup is reviewed and discussed in this paper, and the paper presents a real-time dynamic linear model (DML) based synchrophasor data anomaly detection application. Last but not least, the practicability of implementing 5G for wide-area protection strategies is explored and discussed by analyzing the experimental results.

5G, Synchrophasor data, machine learning, anomaly ↗