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982 records · Page 34

Fluorophilic Sigma(σ)‐Lock Self‐Healable Copolymers

Although F-Containing molecules and macromolecules are often used in molecular biology to increase the binding with Lewis acidic groups by introducing favorable C−F dipoles, there is virtually no experimental evidence and limited understanding of the nature of these interactions, especially their role in synthetic polymeric materials. These studies elucidate the molecular origin of inter- and intra-Chain interactions responsible for self-healing of F-Containing copolymers composed of pentafluorostyrene and n-butyl acrylate units (p(PFS/nBA). Guided by dynamic surface oscillating force (SOF) and spectroscopic measurements supported by molecular dynamics (MD) simulations, these studies show that the reformation of σ-σ orbitals in −C−F of PFS and CH 3 CH 2 − of nBA units enables the recovery of entropic energy via fluorophilic-σ-lock van der Waals forces when PFS/nBA molar ratios are ~50/50. The strength of these interactions determined experimentally for self-healable PFS/nBA compositions is in the order ~0.3 kcal/mol which primarily comes from fluorophilic-σ-lock (~70 %) contributions. These interactions are significantly diminished for non-self-healable counterparts. Strongly polarized −C−F σ orbitals create lateral dipolar forces enhancing the affinity towards −C−H orbitals, facilitating energetically favorable interactions. Entropic recovery driven by non-Covalent bonding offers a valuable tool in designing materials with unique functionalities, particularly self-healable batteries and energy storage devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Imaging a terahertz superfluid plasmon in a two-dimensional superconductor

The superconducting gap defines the fundamental energy scale for the emergence of dissipationless transport and collective phenomena in a superconductor. In layered high-temperature cuprate superconductors, in which the Cooper pairs are confined to weakly coupled two-dimensional (2D) copper–oxygen (CuO 2 ) planes, terahertz (THz) spectroscopy at subgap millielectronvolt (meV) energies has provided crucial insights into the collective superfluid response perpendicular to the superconducting layers. However, within the CuO 2 planes, the collective superfluid response manifests as plasmonic charge oscillations at energies far exceeding the superconducting gap, obscured by strong dissipation. Here, in this study, we present spectroscopic evidence of a below-gap, 2D superfluid plasmon in few-layer Bi 2 Sr 2 CaCu 2 O 8+x and spatially resolve its deeply subdiffractive THz electrodynamics. By placing the superconductor in the near field of a spintronic THz emitter, we reveal this distinct resonance—absent in bulk samples and observed only in the superconducting phase—and determine its plasmonic nature by mapping the geometric anisotropy and dispersion. Crucially, these measurements offer a direct view of the momentum-dependent and frequency-dependent superconducting transition in two dimensions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND

Quasicrystal stability and nucleation kinetics from density functional theory

The aperiodic order of quasicrystals bridges the amorphous and crystalline regime, so it has remained unclear whether quasicrystals are metastable or stable phases of matter. Density functional theory is often used to evaluate thermodynamic stability, but quasicrystals are long-range aperiodic and their energies cannot be calculated using conventional ab initio methods. Here, in this work, we perform first-principles calculations on quasicrystal nanoparticles of increasing size, from which we can directly extrapolate their bulk and surface energies. Using this technique, we determine with high confidence that the icosahedral quasicrystals ScZn 7.33 and YbCd 5.7 are ground-state phases, thus revealing that translational symmetry is not a necessary condition for the zero-temperature stability of inorganic solids. Although we found the ScZn 7.33 quasicrystal to be thermodynamically stable, we show on a mixed thermodynamic and kinetic phase diagram that its solidification from the melt is limited by nucleation, which illustrates why even stable materials may be kinetically challenging to grow. Our techniques broadly open the door to first-principles investigations into the structure–bonding–stability relationships of aperiodic materials.

density functional theory

A 65 Ah rechargeable lithium molybdenum disulfide battery

A rechargeable lithium molybdenum disulfide battery which has a number of superior performance characteristics which includes a high energy density, a high power density, and a long charge retention time was developed. The first cell sizes developed included a C size cell and an AA size cell. Over the last two years, a project to demonstrate the feasibility of the scale up to this technology to a BC size cell with 65 Ah capacity was undertaken. The objective was to develop, build, and test a .6 kWh storage battery consisting of 6 BC cells in series.

Brandt, K.

Fast, Nondestructive and Precise Biomass Measurements Are Possible Using Lidar-Based Convex Hull and Voxelization Algorithms

Light detection and ranging (lidar) scanning tools are available that can make rapid digital estimations of biomass. Voxelization and convex hull are two algorithms used to calculate the volume of the scanned plant canopy, which is correlated with biomass, often the primary trait of interest. Voxelization splits the scans into regular-sized cubes, or voxels, whereas the convex hull algorithm creates a polygon mesh around the outermost points of the point cloud and calculates the volume within that mesh. In this study, digital estimates of biomass were correlated against hand-harvested biomass for field-grown corn, broom corn, and energy sorghum. Voxelization (r = 0.92) and convex hull (r = 0.95) both correlated well with plant dry biomass. Lidar data were also collected in a large breeding trial with nearly 900 genotypes of energy sorghum. In contrast to the manual harvest studies, digital biomass estimations correlated poorly with yield collected from a forage harvester for both voxel count (r = 0.32) and convex hull volume (r = 0.39). However, further analysis showed that the coefficient of variation (CV, a measure of variability) for harvester-based estimates of biomass was greater than the CV of the voxel and convex-hull-based biomass estimates, indicating that poor correlation was due to harvester imprecision, not digital estimations. Overall, results indicate that the lidar-based digital biomass estimates presented here are comparable or more precise than current approaches.

Environmental Sciences & Ecology

Temperature-Dependent Transport Characteristics of 2D MoS2 Channel FETs Grown Using Salt-Based Precursors

D Transition Metal Dichalcogenides (TMDs), particularly MoS2, are promising candidates for sub-10 nm Gate All Around (GAA) CMOS FETs. Salt-assisted Chemical Vapor Deposition (CVD) enable lateral MoS2 growth at atmospheric pressure and low temperatures. This work analyzes salt-based precursor-driven CVD-grown MoS2 FETs at various temperatures. MoS2 was grown using Ammonium Molybdate salt, sulfurized at 750∘C, and transferred onto p−Si3/SiO2 substrates. At room temperature, threshold voltage (VT) ranged from -35 V to -25 V, with a peak drain current of 1.2μA/μm. As temperature increased above 325K, VT shifted exponentially, and carrier mobility dropped significantly. At 400 K, the gate lost channel control, though gate leakage current remained low. These results are compared with non-salt-based MoS2 growth to assess salt precursor effects.Notice: This manuscript has been authored by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the US Department of Energy (DOE). The US government retains and the publisher, by accepting the article for publication, acknowledges that the US government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for US government purposes. DOE will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (https://www.energy.gov/doe-public-access-plan).

Jones, Andrew [ORNL] (ORCID:0009000233849687)

A survey of advanced battery systems for space applications

The results of a survey on advanced secondary battery systems for space applications are presented. Fifty-five battery experts from government, industry and universities participated in the survey by providing their opinions on the use of several battery types for six space missions, and their predictions of likely technological advances that would impact the development of these batteries. The results of the survey predict that only four battery types are likely to exceed a specific energy of 150 Wh/kg and meet the safety and reliability requirements for space applications within the next 15 years.

Attia, Alan I.

Pragmatic Stress Prediction on Additively Manufactured Coupons

Prediction of residual stresses from process parameters for additively manufactured large metal parts is computationally expensive. NASA is currently developing meter-scale parts with direct energy deposition. Practically, the predictive computational methods need to efficiently scale-up to meter-scale parts. Coupled thermal-mechanical multi-physics simulations have been developed with the pragmatic method using ABAQUS, COMSOL Multiphysics, ALE3D software. The residual stresses are a result of the manufacturing process which creates thermal cycling of the build layers. The pragmatic method uses lumped thermal layers for stress predictions to reduce computational costs. The stress predictions as well as deformations of the different codes are compared with each other and with ANSYS Additive using identical material models, boundary and initial conditions. The codes were used to simulate three different geometries: a thin wall, hollow cylinder and twin-cantilever part. The coupon parts were then manufactured with Inconel-625. The residual stresses in these parts were measured using X-ray diffraction as well as neutron beam diffraction at NIST. The stress measurements for the two technologies are compared. The pragmatic stress prediction method enabled predictions of the multi-centimeter scale parts using desktop computer workstations in only a few hours for each coupon. The results of the simulated stress predictions compared favorably with the measured stresses even though thermally lumped layers were employed. Finally, a two-meter scale nozzle was simulated using ANSYS Additive. The simulations were used to examine the build orientation trade-space with respect to resulting geometric deformation. The predicted deformations were compared to measurements of an actual subscale part manufactured with direct energy deposition.

pragmatic method

Nickel-hydrogen bipolar battery systems

Nickel-hydrogen cells are currently being manufactured on a semi-experimental basis. Rechargeable nickel-hydrogen systems are described that more closely resemble a fuel cell system than a traditional nickel-cadmium battery pack. This has been stimulated by the currently emerging requirements related to large manned and unmanned low earth orbit applications. The resultant nickel-hydrogen battery system should have a number of features that would lead to improved reliability, reduced costs as well as superior energy density and cycle lives as compared to battery systems constructed from the current state-of-the-art nickel-hydrogen individual pressure vessel cells.

Thaller, L. H.

High‐Performance Rechargeable Lithium‐Chlorine Batteries with ALD Conformal Starburst Porous Graphene Positive Electrodes

Abstract Rechargeable alkali metal‐chlorine batteries are emerging as a promising high‐energy‐density solution. However, they confront significant challenges, including the primary issue stemming from the weak binding affinity of cathode materials for Cl 2 , which leads to a sluggish and inadequate supply of Cl 2 during the redox reactions, resulting in a shortened cycle life and low Coulombic efficiency (CE), particularly when operating at ultrahigh specific capacity outputs. Herein, an Al 2 O 3 ‐skinned heterostructured starburst porous graphene with conformal metasurfaces (Al 2 O 3 @rGO) is reported, crafted from a hierarchical porous starburst graphene arranged in a unique layered structure by the PTFE microemulsion skin effect, leveraging subsequent fluidized bed atomic layer deposition (FBALD) of Al 2 O 3 groups. Al 2 O 3 @rGO features superhydrophilicity, effective adsorption, fast kinetics from stable dynamic respiratory interface, high electrical and thermal conductivity anisotropy, intelligent thermal management and safe operation over a wide temperature range. Consequently, the Li‐Cl 2 @Al 2 O 3 @rGO battery achieves an ultrahigh discharge specific capacity of 5000 mAh g −1 at ≈100% CE, and even delivers stable cycling over 200 cycles with 2000 mAh g −1 at an average CE of 99.8% under low temperature environment of ‐40 °C. The scalable heterostructure approach offers a sustainable perspective of the development of functionalized metamaterials and metasurfaces for next‐generation safe and energy‐dense batteries and broader applications.

Chemistry

A Full-Induction Magnetohydrodynamics Solver for Liquid Metal Fusion Blankets in Vertex-CFD

Multiphysics modeling of liquid metal fusion blankets, which produce tritium and convert energy of neutrons created via fusion reactions into heat, is crucial for predicting performance, ensuring structural integrity, and optimizing energy production. While traditional blanket modeling of liquid metal flows during normal steady operating conditions commonly employs the inductionless approximation of the magnetohydrodynamics (MHD) equations, transient scenarios, when the plasma-confining magnetic field varies on millisecond time scales, require a full-induction MHD approach that dynamically evolves the magnetic field via the time-dependent induction equation. This paper presents the formulation, implementation, and initial verification of a full-induction MHD solver integrated within the open-source Vertex-CFD framework, which aims to achieve tight multiphysics coupling, a flexible software design enabling easy extension and addition of physics models, and performance portability across computing platforms. The solver utilizes finite element spatial discretization, implicit Runge–Kutta time integration, and an inexact Newton method to solve the resulting discrete nonlinear system, leveraging Trilinos packages for efficient computation. Verification against selected benchmark problems demonstrates accuracy and robustness of the solver. Furthermore, when the solver is applied to an idealized blanket model in 2.5D and full 3D, results obtained with Vertex-CFD are in good agreement with recently published quasi-2D simulations. These findings establish a computational foundation for future simulations of transient MHD phenomena in liquid metal blankets with Vertex-CFD, and open avenues for future extensions and performance optimizations.

Endeve, Eirik [ORNL] (ORCID:0000000312519507)

Multi-sensor Observations of a High-velocity Fireball over the South Atlantic on 2026 April 1

A high-velocity fireball was detected over the South Atlantic (41.9°S, 54.7°W) on 2026 April 1 at 02:13:14 UTC by U.S. Government (USG) sensors, with peak brightness at 90.5 km altitude. The event was well-observed from geostationary orbit by two civilian lightning imagers with near-orthogonal geometry, the Geostationary Operational Environmental Satellite-East Geostationary Lightning Mapper (GLM) and the Exploitation of Meteorological Satellites Meteosat Third Generation Imager 1 Lightning Imager, and it produced low-frequency acoustic signatures. The GLM measured a total radiated energy of 2.4 × 10 10 J, corresponding to a calculated impact energy of 0.086 kt TNT equivalent. Stereoscopic triangulation of the imager tracks yields an independent pre-atmospheric velocity of ~57 km s −1 , some 18% below the USG-reported value. Because orbital provenance is acutely sensitive to the entry velocity, whose reported uncertainty could be substantial, this discrepancy is notable. We document the multi-sensor record and identify the analysis required to assess provenance, which a subsequent study will present.

Silber, Elizabeth Allaryce [Sandia National Lab. (

Impacts of Multidimensional Progenitor Perturbations on Core-collapse Supernova Explosions

Numerical studies of core-collapse supernovae have demonstrated the importance of nonradial motions in precollapse progenitors on the explosion outcome. We use the Chimera neutrino radiation hydrodynamics code running seven two-dimensional simulations of 15 M⊙ progenitors with different progenitor structures introduced by different one- and two-dimensional precollapse stellar evolution environments to examine the impacts of stellar structure and nonspherical motion in the precollapse progenitor on the development of explosions. We compare the explosion evolution of these models in terms of shock dynamics, diagnostic energy, neutrino heating, accretion, explosion geometry, nuclear abundances, and turbulent convection. We also analyze how stochastic variation impacts our simulations. Contrary to results reported in prior studies examining the impacts of multidimensional progenitors, we observe similar shock revival times and explosion development in our simulations despite differences in initial compositions and structures. We find no discernible impact from the accretion of nonradial perturbations from a multi-D progenitor onto the stalled shock in the revival and strength of explosion, as fully developed neutrino-driven convection behind the stalled shock is similar for all our models. For models with physically sourced noise in the iron core, a strong oscillation of the shock occurs after bounce and deflects infall laterally, and accelerates the saturation of the lateral turbulent kinetic energy. An examination of model stochasticity shows that any prior expected impacts on explosive outcome due to convection-related perturbations lie below the detectable threshold of numerical variation.

Chen, Chien-Hui [North Carolina State University]

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

Toward Large Field-of-view X-ray Spectrometers with Magnetic Microcalorimeters

A future X-ray telescope mission like Lynx, a X-ray flagship mission concept, requires a large field of view, high energy resolution, and high spatial resolution. The Magnetic Microcalorimeter (MMC) detectors we are developing for such a mission feature a 5-arcminute field of view, approximately 100,000 pixels, each spanning 0.5–1 arcsecond. These detectors require the readout of 8,000 sensors. Three different array types have been designed to meet scientific goals, two of which utilize thermal multiplexing to reduce the number of readout channels in a scheme called “Hydra.” We are currently fabricating detectors on a recently completed buried wiring wafer with connections to every sensor. The sensors are read out using a microwave multiplexer (μMUX) with flux ramp modulation. A single μMUX can read out approximately 1,000 sensors with only two feed lines. We will report on the test of the first two-dimensional μMUX chip, consisting of 78 resonators. μMUX chips that pass screening will be directly bonded to MMC array chips using indium bump bonding. In parallel, we have tested a kinetic inductance traveling wave parametric amplifier (KI-TWPA) to amplify signals at low temperatures. The KI-TWPA exhibits extremely low internal noise, approaching the standard quantum limit. Since the energy resolution of an MMC is primarily limited by the readout system, the KI-TWPA is an ideal amplifier for MMCs with μMUX readout. We recently measured the readout noise of a μMUX with a KI-TWPA, demonstrating its capability for reading out MMC arrays. We present the design and fabrication of the latest MMC detectors, along with its readout performance.

Magntic Microcalorimeters

Multiscale and multidimensional modeling of particle acceleration and transport in solar flares

Multi-messenger, multi-viewpoint, and time-resolved observations of solar flares are now providing unprecedented constraints on particle acceleration sites, energy conversion, and energy transport. The interpretation of current observations, including microwave imaging spectroscopy from EOVSA, hard x-ray (HXR) imaging from Solar Orbiter/STIX, gamma-ray diagnostics from Fermi, and in situ measurements from Parker Solar Probe and Solar Orbiter, collectively demands modeling frameworks that go beyond traditional spatially unresolved, one-zone models or single-mechanism descriptions. This review surveys multiscale and multidimensional modeling approaches, including kinetic, magnetohydrodynamic (MHD), and macroscopic particle models, that are being developed to meet the need. Kinetic simulations reveal that three-dimensional (3D) effects, including field-line chaos and self-generated turbulence, are essential for sustained power-law particle acceleration. MHD simulations now capture flux-rope eruptions, plasmoid-unstable current sheets, and turbulent flare regions in realistic magnetic topologies. Macroscopic models coupling MHD with energetic-particle models produce spatially resolved electron distributions and synthetic HXR and microwave emissions for direct comparison with observations. Despite these advances, outstanding challenges remain in bridging kinetic and global scales, improving MHD simulations and macroscopic particle models, and achieving quantitative model-observation closure.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY

Development of a High Force Thermal Latch

This paper describes the preliminary development of a high force thermal latch (HFTL). The HFTL has one moving part which is restrained in the latched position by a low melting temperature or fusible metal alloy. When heated the fusible alloy flows to a receiving chamber and in so doing at first releases the tension load in the latch bolt and later releases the bolt itself. The HFTL can be used in place of pyrotechnically activated spacecraft release devices in those instances where the elimination of both pyrotechnic shock-loading and rapid strain-energy release take precedence over the near instantaneous release offered by ordnance initiated devices.

William D Nygren

Prototype Demonstration of Solar-Carbothermal System to Extract Oxygen From Regolith

The Carbothermal Reduction Demonstration (CaRD) project was an effort to develop a prototype system to demonstrate the extraction of oxygen from simulated lunar regolith using concentrated solar energy and a carbothermal reaction. The prototype consisted of a deployable solar concentrator capable of tracking the sun, carbothermal reactor, fluid system, gas analysis, and a solar concentrator control system consisting of avionics and software. These subsystems were developed by multiple NASA centers and a private industry partner, Sierra Space. The various teams worked together to define requirements and interfaces to successfully assemble the complex system and demonstrate an integrated solar carbothermal process. The solar concentrator developed at Glenn Research Center (GRC) was designed to be stowed for a launch environment then deployed on the lunar surface. It utilized a crossed dragone configuration of composite mirrors to direct horizontal sunlight onto a target 90° from the incoming sunlight. The key performance parameters for the solar concentrator were efficiency and power density. The carbothermal reactor was developed by Sierra Space through a separate project called the Carbothermal Oxygen Production Reactor (COPR) where it successfully demonstrated a fully automated process in a thermal vacuum environment [1]. The fluid system needed for the carbothermal reaction was also developed by Sierra Space and successfully demonstrated in the same thermal vacuum test. The gas analysis system was developed at Kennedy Space Center (KSC) and was required to determine the amount of oxygen extracted during each test. The gas analysis system was based on the Mass Spectrometer Observing Lunar Operations (MSOLO) instrument. Avionics and software for the CaRD prototype were also developed at KSC and based on experience with MSOLO avionics and software. The control system was designed to stow, deploy, track the sun, and perform beam alignment of the concentrated light. The prototype subsystems were integrated and tested at Johnson Space Center’s (JSC) Energy Systems Test Area. A heliostat was used to direct sunlight toward the prototype in a way that is representative of the sunlight conditions at the south pole of the Moon. When concentrated sunlight was focused on simulated lunar regolith within the reactor, the gas analysis team confirmed the presence of carbon monoxide gas, which confirmed that a solar carbothermal reaction took place. The key performance parameter for the integrated prototype was grams of oxygen extracted per kilowatt hour of energy arriving at the concentrator primary mirror. The prototype design successfully demonstrated end-to-end capability and further steps to achieve a flight capable system have been defined. With lunar data, engineers would be able to design a scaled-up system capable of extracting oxygen from regolith at useful quantities for crew life support and rocket propellant. On the long term, this method of In-Situ Resource Utilization could be used to drastically reduce the cost and risk of a sustained human presence on the Moon by reducing the amount of oxygen that would have to be delivered.

Koorosh R Araghi