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2,208 records · Page 70

Unique Conductivity Behavior in Water-In-Salt Electrolytes Driven by Ion Clusters

Understanding and predicting ion transport in aqueous electrolytes are crucial for advanced energy storage and biophysics, and many emergent technologies yet remain elusive. Herein, we introduce a unified framework to quantitatively describe and predict electrolyte conductivity that shifts from conventional molar concentration-based metrics to a volume fraction-based approach. Through analyzing a variety of electrolyte solutions via this perspective, we observe a universal conductivity peak at a 37% volume fraction. Small-angle X-ray scattering (SAXS) and molecular dynamics (MD) simulations reveal that nanometer-scale ion clusters drive this general behavior. Moreover, key geometric features of the ion transport pathwayssuch as pore size, tortuosity, and connectivityfollow a consistent dependence with respect to the volume fraction, reinforcing the argument for the universal conductivity trend. This paradigm shift opens new avenues for designing high-performance electrolytes and provides transformative insights for advancing studies in many fields, wherein molecular aggregates dictate transport properties.

Nguyen, Huong T. D.

Intrinsically Conductive {pi}‑d Conjugated Layers with Co–N4 Active Sites for Efficient Nitrate Electrocatalysis and Zinc-Nitrate Batteries

Electrochemical synthesis of ammonia from nitrate has been extensively investigated as a potential alternative to the energy-intensive Haber-Bosch process. This approach not only operates under ambient conditions but also simultaneously removes nitrate contaminants while producing ammonia as a value-added product. However, the ongoing quest lies in designing an efficient electrocatalyst that achieves a high ammonia yield rate, high selectivity, and long-term stability. Herein, we report the outstanding performance of a Co–N4 coordinated π-d layered Co3(HITP)2 (HITP = 2,3,6,7,10,11-hexaiminotriphenylene) in nitrate electrocatalysis. The unique combination of abundant Co–N4 active sites and superior electrical conductivity enables significant electrocatalytic activity, delivering a maximum ammonia yield rate of 56.8 mg cm–2 h–1 at −0.8 V vs RHE and a Faradaic efficiency of ∼91% at −0.4 V vs RHE. Mechanistic analysis reveals that alkaline conditions accelerate water dissociation to generate adsorbed hydrogen intermediates (H*), which are utilized by Co–N4 sites to drive the stepwise hydrogenation of nitrate to ammonia while suppressing competing hydrogen evolution reaction (HER) pathways. Furthermore, integration of this catalyst into a zinc-nitrate battery resulted in a maximum power density of 5.3 mW cm–2 and an open-circuit potential of ∼1.45 V. These results highlight the potential of π-d conjugated Co–N4 materials as an efficient catalyst for both environmental remediation and energy conversion.

Namvar, shahrirar

Techno-Economic Evaluation of a 600MW Pumped Storage Hydropower Plant using the Pumped Storage Hydropower Valuation Tool

This paper presents a techno-economic evaluation of the proposed 600 MW, 8-hour Craig – Hayden pumped storage hydropower project using the U.S. Department of Energy’s Pumped Storage Hydropower Valuation Tool. The analysis integrates plant technical characteristics, regional grid conditions, and market-based operating assumptions to quantify stacked value streams from energy arbitrage, capacity, ancillary services, transmission congestion relief, and reliability. Both price taker and price influencer frameworks are applied to examine the impact of market participation and system interactions on lifecycle economic performance using Benefit - Cost Analysis and Multi - Criteria Decision Analysis. The results show that the price taker approach provides higher revenue estimates based on exogenous price signals, while the price influencer approach captures production cost savings, renewable curtailment reduction, and market price formation, yielding more conservative but system-representative outcomes. The study demonstrates the strategic value of long-duration PSH for enhancing operational flexibility, resource adequacy, and grid reliability in a high-renewable Western Interconnection.

Bhattacharyya, Arjun [ORNL] (ORCID:000900060976046

Radio Noise Problems in Arctic Regions

Three main types of radio noise should be considered when establishing noise levels for communication purposes or in experiments utilizing radio techniques in Arctic regions. These are atmospheric and man-made noise, and precipitation static. National Bureau of Standards radio noise data obtained hourly at Arctic and Antarctic stations on eight .fixed frequencies between 51 kc and 20 Mc/s are analyzed to show the characteristics of the three types. The diurnal and seasonal variations of atmospheric radio noise at high latitudes are explainable in terms of changes in propagation factors and in the distribution of world thunderstorm activity. In both northern and southern Arctic regions atmospheric noise decreases during polar cap absorption (PCA), most markedly in the h.f. band. The probable magnitude of man-made noise in the h.f. band is estimated from data taken during PCA, when atmospheric noise is absent. At Thule man-made noise on 2.5 and 5 Mc/s appears to be 57 and 49 dB above kTB (where kTB is antenna thermal noise power), respectively, while at Byrd Station the values are about 20 and 12 dB respectively. Precipitation static is generated on exposed antennas during periods of blowing snow (blizzards). The noise power magnitude can be at least 50 dB above man-made and atmospheric levels, but the maximum enhancement cannot be ascertained because of missing data. In winter and spring months at Byrd Station radio data dependent upon exposed antennas may be lost 10-30 per cent of the time due to precipitation static alone.

Radio Noise

NiCd battery failure analysis

The failure of a nickel cadmium battery undergoing tests is discussed. Reasons for the complete destruction of the battery while undergoing preparation for thermal vacuum testing are given.

Sense, K. A.

Deployment and retrieval mechanism redesigned for Spartan spacecraft on the STS

The Spartan Release Engage Mechanism (REM) is a system designed to restrain the Spartan spacecraft during Space Transportation System (STS) launch and landing. The mechanism is designed to allow deployment and retrieval of the Spartan free flyer spacecraft from the shuttle payload bay. Because current Spartan spacecraft payloads are much heavier than payloads intended for the original REM, an extensive redesign, analysis, and test program was necessary. Also, increased emphasis on safety in the post-Challenger era prompted a reevaluation of possible failures. Much of the design effort focused on improving the latch mechanism gearbox. Key concerns were effective gear lubrication, thermal gradients at the gearbox mounts, operation at thermal extremes, and gear-train failure contingencies. Increased concern for reliability led to the design of an Extra Vehicular Activity (EVA) backup latch system.

Greg Galloway

Activation dynamics of a water-soluble human mu-opioid receptor

The mu-opioid receptor (MOR), a class A G protein-coupled receptor mediates opioid analgesia and remains a central target for pain therapeutics. While crystal structures of MOR exist, they provide limited insight into the receptor’s dynamic conformational landscape underlying function. Here, we engineered a thermostable water-soluble MOR variant (wsMOR) that retains native-like ligand-binding and activation dynamics. This variant enables high-yield production and detailed solution-phase structural studies that are challenging with membrane-embedded MOR, providing a valuable tool for studying receptor activation and aqueous-phase drug screening. Using a combined computational and experimental approach, we performed long-timescale all-atom molecular dynamics simulations together with neutron scattering and single-molecule FRET, revealing a structurally stable receptor with a diverse ensemble of conformations at different temporal resolutions. In the ligand-free state, wsMOR displayed high conformational flexibility, which decreased upon agonist binding, particularly in transmembrane helix 6, a hallmark of G protein-coupled receptor activation. Positive allosteric modulation and G protein binding further stabilized active-like states. These findings highlight wsMOR’s conformational plasticity across picosecond to millisecond timescales and provide a foundation for structure-guided development of next-generation opioid ligands with improved efficacy and safety.

E, Agyemang [University of Tennessee Knoxville]

Wide-ranging predictions of new stable compounds powered by recommendation engines

The computational search for new stable inorganic compounds is faster than ever, thanks to high-throughput density functional theory (DFT). However, stable compound searches remain highly expensive because of the enormous search space and the cost of DFT calculations. To aid these searches, recommendation engines have been developed. We conduct a systematic comparison of the performance of previously developed recommendation engines, specifically ones based on elemental substitution, data mining, and neural network prediction of formation enthalpy. After identifying ways to improve the recommendation engines, we find the neural network to be superior at recommending stable Heusler compounds. Armed with improved recommendation engines, we identify tens of thousands of compounds that are stable at zero temperature and pressure, now available in the Open Quantum Materials Database. We summarize this diverse pool of compounds, including the elusive mixed anion compounds, and two of their many applications: thermoelectricity and solar thermochemical fuel production.

Science & Technology - Other Topics

Copper-Wire-Card Detectors

Card Design - Each copper-wire-card detector consisted of a winding of fine wire mounted to a 1.45- by 7 .00-inch rectangular card. Two wire sizes were used - 2-mil and 3-mil (fourteen 2-mil cards and thirty-two 3-mil cards). The total exposed effective area was about 1.2 square feet (0.11 square meters). A sketch of a detector is shown in figure X-1. These detectors are similar to the detectors flown on previous satellites. Quadrant Design - The 36 cards are arranged in four groups of 12 cards each with four pairs of 3-mil cards in parallel and four single 2-mil cards in parallel. Each group is mounted on a fiber-glass support that can readily be removed from the payload for repairs or replacements with appropriate spares. Individual cards can be replaced readily if necessary. The assembly of the quadrants is shown in figure II-2. Temperature-Balance Experiment - The grids for the temperature-balance experiment were wound with insulated wire. The thermal balance of such a winding has been examined under conditions approximating flight environment. One card of 3-mil wire with a thermistor attached was enclosed in a bell jar and exposed to the sun after evacuation. External radiation was reduced by shading the bell jar except for a window which allowed the sun's rays to strike the winding. The temperature of the thermistor was recorded at intervals. Figure X-2 shows that the temperature does not rise beyond 65° C in 20 minutes of continuous exposure to the sun. Complementary tests made by Dr. Roger E. Gaumer of Lockheed Aircraft Corp. give a ratio of absorptivity to emissivity of 1 for this type of enamel insulated wire. Compensation for Resistance Changes - Temperatures at the wire-card surfaces were expected to extend from -10° C to a maximum of 60° C. Since copper has a thermal coefficient of resistance of 0.33 percent per °C, the resistance of the wire would change 22 percent and a compensator had to be provided. A 100-ohm thermistor with a negative coefficient of -3-9 percent per °C was selected, wired in parallel with a 300-ohm fixed resistor and installed in series with each 2-mil card and with each pair of 3-mil cards. The effective resistance of 2-mil and 3-mil compensated cards is shown in figure X-3 for various temperatures and compared with the resistance of uncompensated copper. The increase in resistance from 20° C to 60° C is 12 ohms or 2.7 percent. Below 20° C the effective resistance also increases and the curve is similar to that obtained for high temperatures.

Detector

Adsorptive behavior of poly (vinylidene fluoride) membranes for the recovery of lignin-derived hydrophobic deep eutectic solvents

Abstract Recently, membrane technology has gained significant traction as an energy-efficient alternative to traditional thermal processes for solvent recovery. Deep eutectic solvents (DESs) have emerged as sustainable alternatives to conventional organic solvents, yet a systematic methodology for selecting compatible membrane materials for their recovery remains underdeveloped. This study established a predictive framework for membrane material selection in hydrophobic DES applications using Hansen Solubility Parameters (HSP) with inverted criteria targeting materials with relative energy difference (RED) values greater than 1.0. Flat sheet membranes were fabricated via the non-solvent induced phase separation (NIPS) technique. Four NIPS fabricated polymer membranes were evaluated: polysulfone, cellulose acetate, polyvinylidene fluoride (PVDF) fabricated with polyethylene glycol (PEG) as a pore-forming agent, and polybenzimidazole (PBI). The HSP approach successfully predicted membrane-solvent compatibility, with polysulfone (RED = 0.6) and cellulose acetate (RED = 0.9) dissolving completely within 24 h, while PVDF (RED = 1.9) and PBI (RED = 1.1) maintained structural integrity throughout a 7-day exposure period. Furthermore, PVDF demonstrated superior performance with minimal weight gain (3.0%), hydrophobic surface characteristics (122° water contact angle), and enhanced mechanical properties following DES exposure. Comprehensive chemical and morphological characterization confirmed PVDF’s chemical stability and revealed a surface-selective interaction mechanism involving simultaneous PEG (pore-forming agent) extraction and DES component adsorption. Adsorption kinetics followed pseudo-first-order behavior with reversible characteristics, best described by the Temkin isotherm model (R² = 0.9987). PVDF membranes-maintained separation functionality with average lignin rejection (75.2 ± 7.69%) and demonstrated filtration permeability of 2.0 ± 0.34 LMH/bar. This methodology provides a rational approach for membrane selection in emerging solvent systems, contributing to the advancement of sustainable separation technologies for DES-based biomass processing applications.

Science & Technology - Other Topics

Revealing the Roles of CuF 2 /NiF 2 Incorporation in the Electrochemical Performance of FeF 3 Cathodes in Solid‐State Batteries

Mixed metal fluorides have been considered as a promising candidate to lower the voltage hysteresis of conversion-type iron fluoride cathodes, but their cycling stability is limited due to transition metal dissolution and interphase growth in liquid electrolyte batteries. Here, we study the role of incorporating CuF 2 and NiF 2 in the electrochemical performance of FeF 3 cathode in halide-based solid-state batteries to test whether we can transfer the kinetic benefit of low voltage hysteresis to solid-state batteries while using solid electrolyte to eliminate transition metal dissolution and stabilize the interphase. Synchrotron X-ray absorption spectroscopy results indicated the redox reactions are attributed to Cu 0 /Cu + and Fe 0 /Fe 2+ in 25CuF 2 -75FeF 3 and Ni 0 /Ni 2+ and Fe 0 /Fe 3+ in 10NiF 2 -90FeF 3 . While no apparent improvement in electrode kinetics can be observed, the incorporation of CuF 2 and NiF 2 can largely improve the cycling stability of FeF 3 cathodes. In conclusion, the results demonstrate the advantages of using solid-state concept to improve the cycling stability of conversion-type cathodes.

25 ENERGY STORAGE

Does the International Space Station Leak DNA? Preliminary Results from the ISS External Microorganisms Payload

Existing crewed spacecraft like the ISS (International Space Station) leak by design. The ISS routinely releases gas to maintain life support systems and when astronauts exit the station to perform space walks. The chemical component of this leakage is well characterized, but the biological components are not. The ISS is not subject to planetary protection requirements, but planned missions to Mars will use similar systems and will be subject to planetary protection requirements. If detectable microorganisms are escaping through vents and or airlocks we may need to redesign our crewed habitats to minimize this type of contamination. To test the hypothesis that microorganisms from inside ISS are detectable on exterior surfaces an astronaut used the ISS External Microorganisms sampling kit (Rucker et al. 2018) to sample exterior surfaces of the ISS during an EVA (Extra Vehicular Activity) in January of 2025. These samples were returned to Earth for DNA extraction and sequencing. We successfully, extracted and sequenced bacterial, fungal and viral DNA from these samples that was not present in the negative controls. These results should help NASA refine the planetary protection requirements for crewed missions. Methods: The samples were collected using sterile, DNA free, buccal swabs (23 mm. diameter) housed in custom canisters. Each canister uses a 0.2 μm Teflon filter to maintain sterility as the caddy, holding 8 swabs moves in and out of vacuum. The astronaut sampled the: 1) airlock vestibule, 2) airlock thermal cover, 3) a gap in the micrometeorite shielding near the airlock, 4) a handrail near the airlock, 5) the Carbon Dioxide Removal Assembly vent, and 6) the Vacuum Exhaust System vent. The seventh swab was exposed to vacuum during the EVA without touching it to a surface. The eighth swab, a negative control, was not opened until the caddy returned to Earth. DNA was extracted from the swabs using a QIamp UCP Pathogen kit and prepared for sequencing on an Aviti (Element Biosciences) sequencer (Arslan et al. 2024). The resulting sequences were analyzed using the EDGE Bioinformatics platform (Li et al. 2017). The sequences were analyzed individually using tools like BLAST, GOTTCHA2, Kraken2, and PanGIA. The data were also assembled into metagenome assembled genomes) using tools like CONCOCT, MaxBin2 and MetaBAT2. Results: We successfully extracted and sequenced bacterial, archaeal, fungal and viral DNA from all seven samples. The handrail swab had the lowest number of reads (768,651) and the airlock thermal cover had the highest number of reads (8,819,230). These samples contain DNA from human associated bacteria (e.g. Crynebacterium riegelii ), fungi (.e.g. Penicillium rubens ), and viruses (e.g Alphapapillomavirus ). Conclusion: Preliminary interpretation suggest that the airlock and the space suits themselves are the largest sources of contaminant DNA. Most if not all of the DNA is from organisms known to be present inside the ISS. Vents attached to life support systems may be a lesser source of biological contamination. Further analysis should help NASA address planetary protection knowledge gaps for crewed missions.

Aaron B Regberg

Polymer-assisted transfer of MBE-grown van der Waals materials

Molecular beam epitaxy (MBE) has been used to create high-quality, large-scale two-dimensional van der Waals (2D vdW) materials. However, due to the strong adhesion between the substrate and deposited materials, the peel-off and dry transfer of MBE-grown vdW films onto other substrates has been challenging. This limits the study and use of MBE films for heterogeneous integration including stacked and twisted heterostructures. In this work, we develop a polymer-assisted dry transfer method and successfully perform full-film transfer of various MBE-grown 2D vdW materials including transition metal dichalcogenides (TMD), topological insulators (TI) and 2D magnets. In particular, we transfer air-sensitive 2D magnets, characterize their magnetic properties, and compare them with as-grown materials. The results show that the transfer technique does not degrade the magnetic properties, with the Curie temperature and hysteresis loops exhibiting similar behaviors after the transfer. Our results enable further development of heterogeneous integration of 2D vdW materials based on MBE growth.

Li, Ziling [The Ohio State University]

3D-Printed mmWave Quasi-Holographic Antenna for 2-D Beamforming

This paper presents the design and manufacturing of a novel 2D-scanning antenna that integrates a 3D-printed Rotman lens with a quasi-holographic leaky-wave antenna (HLWA). The proposed design achieved beam-scanning capabilities by leveraging the beamforming of the Rotman lens and the high-gain directive properties of the quasi-HLWA. The Rotman lens (RL) enables beam steering in the elevation plane by switching between input ports. The quasi-HLWA, designed using holographic principles, achieves frequency-controlled beam scanning in the azimuth plane. The entire antenna structure was fabricated using additive manufacturing with an Ink1092 substrate and silver ink for the conductive traces. This approach provides greater control over material placement and design freedom compared to traditional methods. A 25° transmission linear substrate taper was used to ensure good impedance matching between the Rotman lens and the quasi-HLWA, allowing greater gain while maintaining a good scanning range. The experimental results validate the 2D scanning capability of the proposed antenna. The antenna system provides coverage from −54° to 54° in the elevation θ plane and −28° to 28° in the azimuth plane ϕ , with a maximum measured gain of 21.3 dBi at 28 GHz with an average radiation efficiency η=60 %. The fabricated prototype was tested, and the performance was in good agreement with the simulated performance.

Rotman lens

Gas permeation properties of amorphous zeolitic imidazolate framework membranes made by atomic/molecular layer deposition

Amorphous metal-organic framework (MOF) membranes are desirable because they may retain some of the molecular sieving properties of their crystalline counterparts while being free of grain boundary defects, which often hinder the consistent achievement of high membrane performance. However, current methods, like melting and compression, for fabricating amorphous MOF membranes involve multi-step processes that require the formation of a crystalline membrane first, that is then amorphized, and therefore, could be challenging to scale. Here, we utilize atomic/molecular layer deposition (ALD/MLD) of diethylzinc (DEZ) and 2-methylimidazole (2mIm) to directly synthesize ultrathin amorphous zeolitic imidazolate framework (aZIF) deposits on γ-alumina-coated α-alumina supports. As the number of ALD/MLD cycles increased from 10 to 300, gas permeances decreased while ideal selectivities increased. Mixture separation factors for C3H6/C3H8, CO2/N2, and H2/C3H8 as high as 4, 37, and 194, respectively, were obtained. At 200 °C and 2.5 bar equimolar feed of H2 and C3H8, a H2/C3H8 mixture separation factor of 185 is obtained with an H2 permeance of ca. 4.15x10-8 mol/m2-s-Pa (124 GPU). Additionally, the membrane achieves a CO2/N2 mixture separation factor of 37 at 25 °C and 1 bar with a CO2 permeance of ca. 3.96x10-8 mol/m2-s-Pa (118 GPU). Considering the vast array of compositionally distinct aZIFs that can be potentially deposited by this approach, an enormously large parameter space for membrane design is emerging to be explored.

36 MATERIALS SCIENCE

AutoBEM: A scalable framework for nationwide building energy simulation and retrofit evaluation in the United States

This paper presents AutoBEM, an integrated, automated framework for nationwide building energy modeling and retrofit evaluation in the United States. Unlike prior UBEM platforms that either rely primarily on representative stock sampling or operate at city scale, AutoBEM automates the generation of building-resolved, physics-based EnergyPlus/OpenStudio simulation models at national scale using GIS-derived geometry, prototype-based assumptions, and standardized scalable workflows. Leveraging the Model America dataset and high-performance computing, AutoBEM generates and simulates energy models for 122.9 million buildings, representing 97.8% of the U.S. building stock. These models are being made publicly and freely available as the Model America v1.0 (MAv1) dataset. AutoBEM supports detailed, building-level assessments of energy consumption, CO2 emissions, and post-processed anthropogenic heat emissions (AHE), and evaluates 151 energy conservation measures (ECMs) using localized utility pricing and building characteristics. In addition, AutoBEM incorporates both typical and future climate conditions through integration with Typical Meteorological Year (TMY) and Future TMY (fTMY) weather data derived from IPCC scenarios. In a case study of Phoenix, Arizona, AutoBEM identified several high-efficiency HVAC upgrades and selected envelope measures with short modeled payback periods (1.5 years) for certain building types and standards. Simulations under future climate scenarios (SSP5–RCP8.5) project an 11.3% increase in electricity use and a 32% reduction in natural gas demand by 2100, underscoring the need for climate-adaptive retrofit planning. By enabling reproducible, bottom-up, and location-specific analysis at scale, AutoBEM provides a step toward a national digital twin of the built environment and supports data-driven screening and planning for decarbonization, resilience, and energy equity.

Li, Hang [ORNL] (ORCID:0000000306001920)

Theory of the thermionic current beyond the traditional space charge limit enabled by trapped ions in the virtual cathode

We show that trapped ions in virtual cathode potential wells can raise the transmitted current of emitted electrons into a plasma much closer to the full emission than is predicted by cathode sheath theories without trapped ions. The transmitted current is controlled by the well barrier voltage, which must adjust to balance the creation of low-energy ions within the well, and their loss. Our model considers the case of a plasma-facing cathode where trapped ions are created passively via charge-exchange collisions and lost passively via thermal leakage over the well. We quantify these rates and estimate the current in terms of system parameters for thermionic emission into a plasma with several cathode geometries. A general prediction is that the current as a function of emitted flux does not saturate at the traditional space charge limit (the onset of a well) but can reach far higher values until the trapped ion balance breaks down, causing instability. The maximum stable current depends on parameters but in principle can be arbitrarily high if active techniques are used to manipulate the trapped ion balance. We conclude that major improvements in plasma technologies with hot cathodes might be achieved by optimizing the current enhancement enabled by trapped ions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY