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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 973 records · Page 54

A Metal Organic Framework Derived Solid Electrolyte for Lithium–Sulfur Batteries

Lithium–sulfur batteries (LSBs) are currently considered as promising candidates for next-generation energy storage technologies. However, their practical application is hindered by the critical issue of the polysulfide-shuttle. Herein, a metal organic framework (MOF)-derived solid electrolyte is presented to address it. The MOF solid electrolyte is developed based on a Universitetet i Oslo (UIO) structure. By grafting a lithium sulfonate (-SO 3 Li) group to the UIO ligand, both the ionic conductivity and the polysulfide-suppression capability of the resulting -SO 3 Li grafted UIO (UIOSLi) solid electrolyte are greatly improved. After integrating a Li-based ionic liquid (Li-IL), lithium bis(trifluoromethanesulfonyl)imide in 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, the resulting Li-IL/UIOSLi solid electrolyte exhibits an ionic conductivity of 3.3 × 10 -4 S cm -1 at room temperature. Based on its unique structure, the Li-IL/UIOSLi solid electrolyte effectively restrains the polysulfide shuttle and suppresses lithium dendritic growth. Lithium–sulfur cells with the Li-IL/UIOSLi solid electrolyte and a Li 2 S 6 catholyte show stable cycling performance that preserves 84% of the initial capacity after 250 cycles with a capacity-fade rate of 0.06% per cycle.

25 ENERGY STORAGE↗

Ground State Energy Functional with Hartree–Fock Efficiency and Chemical Accuracy

We introduce the deep post Hartree–Fock (DeePHF) method, a machine learning-based scheme for constructing accurate and transferable models for the ground-state energy of electronic structure problems. DeePHF predicts the energy difference between results of highly accurate models such as the coupled cluster method and low accuracy models such as the Hartree–Fock (HF) method, using the ground-state electronic orbitals as the input. It preserves all the symmetries of the original high accuracy model. The added computational cost is less than that of the reference HF or DFT and scales linearly with respect to system size. We examine the performance of DeePHF on organic molecular systems using publicly available data sets and obtain the state-of-art performance, particularly on large data sets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Heteroepitaxial control of thickness, strain, and domain architecture in few-layer ferroelectric tin monochalcogenides

Thin-film epitaxy and epitaxial strain have been widely exploited to tune domain configurations, switching behavior, and ferroic properties in conventional three-dimensional ferroelectric thin films; however, its application to controlling the properties of two-dimensional (2D) ferroelectrics has remained largely unexplored. Here, using SnX (X = Se, S) as a model system, we demonstrate heteroepitaxial control of thickness, strain state, and domain architecture in few-layer ferroelectric SnX via growth on monolayer MoS2 van der Waals (vdW) templates. Compared with conventional growth, MoS2-templated heteroepitaxy promotes epitaxial alignment, yielding ultrathin SnSe films with improved crystalline quality, full areal coverage, and enlarged lateral dimensions. Strong interfacial epitaxial coupling induces pronounced in-plane strain and stabilizes a hierarchical ferroelastic domain architecture, in which long-range 90° stripe domains are further subdivided into nanoscale rotational variants, as revealed by scanning transmission electron microscopy and synchrotron X-ray microscopy. Piezoresponse force microscopy and second-harmonic polarimetry confirm robust in-plane polarization, while ferroelectricity in SnSe is established through polarization-electric field hysteresis and nonvolatile ferroelectric resistive switching with on/off ratios approaching 1000. A nonvolatile, switchable ferroelectric diode effect further evidences direct coupling between polarization and charge transport. Notably, ferroelectric switchability exhibits a strong thickness dependence and is preserved only below ∼10 layers. This vdW heteroepitaxial strategy is further extended to ferroelectric SnS. The seamless heteroepitaxial integration of 2D ferroelectrics with CMOS-compatible, wafer-scale MoS2 templates provides a general and scalable route for strain-enabled structural and ferroelectric engineering in emerging memory and low-power optoelectronic applications.

Wang, Yueyin↗

Conserved chromatin and repetitive patterns reveal slow genome evolution in frogs

Frogs are an ecologically diverse and phylogenetically ancient group of anuran amphibians that include important vertebrate cell and developmental model systems, notably the genus Xenopus. Here we report a high-quality reference genome sequence for the western clawed frog, Xenopus tropicalis, along with draft chromosome-scale sequences of three distantly related emerging model frog species, Eleutherodactylus coqui, Engystomops pustulosus, and Hymenochirus boettgeri. Frog chromosomes have remained remarkably stable since the Mesozoic Era, with limited Robertsonian (i.e., arm-preserving) translocations and end-to-end fusions found among the smaller chromosomes. Conservation of synteny includes conservation of centromere locations, marked by centromeric tandem repeats associated with Cenp-a binding surrounded by pericentromeric LINE/L1 elements. This work explores the structure of chromosomes across frogs, using a dense meiotic linkage map for X. tropicalis and chromatin conformation capture (Hi-C) data for all species. Abundant satellite repeats occupy the unusually long (~20 megabase) terminal regions of each chromosome that coincide with high rates of recombination. Both embryonic and differentiated cells show reproducible associations of centromeric chromatin and of telomeres, reflecting a Rabl-like configuration. Our comparative analyses reveal 13 conserved ancestral anuran chromosomes from which contemporary frog genomes were constructed.

59 BASIC BIOLOGICAL SCIENCES↗

Symmetry Breaking and Error Correction in Open Quantum Systems

Symmetry-breaking transitions are a well-understood phenomenon of closed quantum systems in quantum optics, condensed matter, and high energy physics. However, symmetry breaking in open systems is less thoroughly understood, in part due to the richer steady-state and symmetry structure that such systems possess. For the prototypical open system—a Lindbladian—a unitary symmetry can be imposed in a “weak” or a “strong” way. We characterize the possible $\mathbb{Z}_n$ symmetry-breaking transitions for both cases. In the case of $\mathbb{Z}_2$, a weak-symmetry-broken phase guarantees at most a classical bit steady-state structure, while a strong-symmetry-broken phase admits a partially protected steady-state qubit. Viewing photonic cat qubits through the lens of strong-symmetry breaking, we show how to dynamically recover the logical information after any gap-preserving strong-symmetric error; such recovery becomes perfect exponentially quickly in the number of photons. Further, our study forges a connection between driven-dissipative phase transitions and error correction.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Shifting and Splitting of Resonance Lines due to Dynamical Friction in Plasmas

We report a quasilinear plasma transport theory that incorporates Fokker-Planck dynamical friction (drag) and pitch angle scattering is self-consistently derived from first principles for an isolated, marginally unstable mode resonating with an energetic minority species. It is found that drag fundamentally changes the structure of the wave-particle resonance, breaking its symmetry and leading to the shifting and splitting of resonance lines. In contrast, scattering broadens the resonance in a symmetric fashion. Comparison with fully nonlinear simulations shows that the proposed quasilinear system preserves the exact instability saturation amplitude and the corresponding particle redistribution of the fully nonlinear theory. Even in situations in which drag leads to a relatively small resonance shift, it still underpins major changes in the redistribution of resonant particles. This novel influence of drag is equally important in plasmas and gravitational systems. In fusion plasmas, the effects are especially pronounced for fast-ion-driven instabilities in tokamaks with low aspect ratio or negative triangularity, as evidenced by past observations. The same theory directly maps to the resonant dynamics of the rotating galactic bar and massive bodies in its orbit, providing new techniques for analyzing galactic dynamics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Integrated Magnetics for Multiport Inductive and Conductive Power Transfer Architecture for Electric Vehicles

This paper proposes a shared magnetic arrangement for an electric-vehicle charger that supports both conductive and inductive charging while preserving independent power control at the two ports. In the proposed implementation, the high-frequency transformer used for the conductive path and the resonant inductor required by the inductive path are realized in an integrated form. By combining the magnetic structure and primary-side converter hardware, the charger can deliver improved hardware utilization and higher power density without a corresponding increase in cost or implementation complexity. The paper describes the magnetic realization and presents finite-element and circuit-level simulation results to confirm minimal interaction between the two charging paths. The study demonstrates that the proposed charger is a viable option for flexible, high-power EV charging systems.

Mukherjee, Subho [ORNL] (ORCID:0009000672297925)↗

The evolution of impact basins - Cooling, subsidence, and thermal stress

The present study is concerned with an assessment of the contribution of thermal contraction and thermal stress to the topography and tectonics of large lunar impact basins. Exploratory models are developed, giving attention to the temperature structure following basin formation, the subsequent cooling of the basin region, and the resulting thermal displacements and stresses as functions of time. The subsidence and stress at the surface are compared with topography and tectonic features in the comparatively well-preserved Orientale basin. The results of the comparison are used as a basis to derive approximate constraints on the quantity and distribution of heat implanted during the basin-formation process.

Bratt, S. R.↗

Lipid Biomarkers for Methanogens in Hypersaline Cyanobacterial Mats for Guerrero Negro, Baja California Sur

Analyses of sediments from the vicinity of active methane seeps have uncovered a particular suite of lipid biomarker patterns that characterize methane consuming archaea and their syntrophic, sulfate reducing partners. These isoprenoid biomarkers, largely identified by their anomalously light carbon isotopic signatures, have been a topic of intense research activity and are recorded in numerous methane-rich environments from Holocene to Cenozoic. This phenomenon has implications for depleted kerogens at 2.7 Ga on early Earth (Hinrichs 2002). In contrast, the lipid biosignatures of methane producing archaea are not readily identified through distinct isotopic labels and have received comparably little attention in analyses of archaea in environmental samples. Indeed, environmental analyses generally detect only free archaeal lipids, not the intact, polar molecules found in the membrane of living organisms. As part of the Ames NAI, the 'Early Microbial Ecosystem Research Group' (EMERG) is working to understand microbial processes in the hypersaline cyanobacterial mats growing in the salt evaporation ponds of the Exportadora de Sal at Guerrero Negro, Baja California Sur, Mexico. The aim of this study was to develop methods by which we could identify the organisms responsible for methane generation in this environment. While the ester-bound fatty acids, hopanoids and wax esters provide a means to identify most of the bacterial components of these mats, the archaea which Ere evidently present through genomic assays and the fact of intense methane production (Hoehler et al. 200l), have not been identified through their corresponding lipid signatures. Archaeal core lipids present a number of analytical challenges. The core lipids of methanogens comprise C20, C40 and sometimes C25 isoprenoid chains, linked through ether bonds to glycerol. As well as archaeal (C20), sn-2- and sn-3-hydroxyarchaeol are associated particularly with methylotrophic methanogens. Recently, we have also identified a dihydroxyarchaeol in a hyperthermophilic methanogen (Summons et al. 2002). Additional structural diversity is encoded into the polar head groups that are attached to the glycerol ether cores. The C20 core lipids are readily analyzed by GC-MS as their volatile trimethylsilyl derivatives while compounds with intact polar head groups can only be detected using LC-MS approaches. Our approach was to utilize the alternative of an ether cleavage reagent (BBr3 vs. HI) and a hydride reducing agent to convert all ether lipids to hydrocarbon in order to provide a vertical profile of quantitative information that might be matched to methane fluxes. We have found that while conventional acid hydrolysis and HI treatment will destroy hydroxyarchaeols, molecular information remains intact through use of BBr3 for ether cleavage. This method revealed the presence of traces of biphytane and various ether alkyls associated with some sulfate reducing bacteria within the mat structure. An interesting, and potentially valuable, byproduct of the method utilizing HI was the identification of abundant homohopanoids after superhydride reduction. Evidently present as sulfur-bound diagenetic products these hopanoids are likely cyanobacterial biomarkers in the early stages of diagenetic preservation.

Jahnke, Linda L.↗

Physical Characteristics, Geologic Setting, and Possible Formation Processes of Spring Deposits on Mars Based on Terrestrial Analogs

Spring formation is a predicted consequence of the interaction of former Martian aquifers with structures common to Mars, including basin margins, Tharsis structures, and other structural deformation characteristics. The arid environment and high abundance of water soluble compounds in the crust will have likewise encouraged spring deposit formation at spring sites. Such spring deposits may be recognized from morphological criteria if the characteristics of formation and preservation are understood. An important first step in the current Mars exploration strategy [10] is the detection of sites where there is evidence for past or present near-surface water on Mars. This study evaluates the large-scale morphology of spring deposits and the physical processes of their formation, growth, and evolution in terms that relate to (1) their identification in image data, (2) their formation, evolution, and preservation in the environment of Mars, and (3) their potential as sites of long-term or late stage shallow groundwater emergence at the surface of Mars.

L S Crumpler↗

Community recommendations on cryoEM data archiving and validation

In January 2020, a workshop was held at EMBL-EBI (Hinxton, UK) to discuss data requirements for the deposition and validation of cryoEM structures, with a focus on single-particle analysis. The meeting was attended by 47 experts in data processing, model building and refinement, validation, and archiving of such structures. This report describes the workshop's motivation and history, the topics discussed, and the resulting consensus recommendations. Some challenges for future methods-development efforts in this area are also highlighted, as is the implementation to date of some of the recommendations.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Designing a transactive electric vehicle agent with customer’s participation preference

The proliferation of electric vehicles (EVs) and their inherent flexibility in charging timings make them an asset to improve grid performance. In contrast to direct control by a utility or autonomous price-based charging, the transactive control framework not only provides benefits to both grid and customers but also ensures customer autonomy. In this work, we design a transactive electric vehicle (TEV) agent that incorporates the EV owner’s willingness to trade-off between savings and amenity in form of a slider, where the EV owner’s amenity is characterized as vehicle readiness. Further, a privacy-preserving bidding formulation is proposed that also represents the customer’s transactive preference. A transactive market mechanism is discussed that integrates the TEV Agents into the local retail market and reconciles with the current day-ahead and real-time market structure. It is demonstrated that the proposed slider is able to provide a preferred trade-off between savings and amenity to individual customers. At the same time, the market mechanism is shown to successfully reduce both peak prices and peak demand. A comparative investigation of V1G and V2G technologies with respect to the battery prices is also discussed. It reveals that the V2G does not offer significant additional benefits with current battery prices, but could be promising if battery costs decline in the future.

33 ADVANCED PROPULSION SYSTEMS↗

Defect formation and microstructure tuning via proton irradiation to control electrochemical and phase reversibility in layered battery materials

The reversibility of phase transformation influences the functionality of electrode materials in batteries. In many battery materials, nanosized grains favor phase reversibility but at the cost of cyclability due to aggravated side reactions with the electrolyte. Here, in this study, we present a novel approach to enhance the phase transformation reversibility of layered oxide cathodes, exemplified by Na 2/3 Fe 1/2 Mn 1/2 O 2 through proton irradiation. In addition to forming defects, proton irradiation at sufficiently high doses can subdivide single grains into multiple nanodomains without physically rupturing them. Hence, the single grains of the material assume a pseudo-secondary particle nature without reducing the overall grain size. Preserving the grain size is advantageous, as it reduces side reactions, which is not possible with conventional grain size reduction methods. While chemical transformations and defect formation induced through proton irradiation can influence the stability of battery materials, it is expected that structural reorganization due to cycling-induced phase transformation will be contained within these nanodomains. Such confinement of phase transformation is potentially responsible for enhancing the reversibility of layered oxide materials in our study. Thus, our study suggests that grain subdivision could become an effective microstructure tuning strategy for managing electrochemical cycling-induced phase changes in battery electrodes.

25 ENERGY STORAGE↗

Oak Ridge National Laboratory NCSP Analytical Methods Subtask 3, AMPX Development and Maintenance, and NCSP Nuclear Data Subtask 6, SAMMY Modernization

The modernization of SAMMY continued with consolidation of access to covariance information for adjusted parameters and data in SAMMY. This consolidation allowed for removal of many scratch files. In addition, work was initiated to make the 0K cross section calculation more modular and less dependent on SAMMY global parameters. An initial application programming interface (API) was added to expose cross sections (including resolution broadening) generated by SAMMY to external fitting routines. The processing for thermal moderators in AMPX was updated for selected moderators for which the generated grid was not fine enough. Updated libraries were generated for SCALE. In addition, work continued to fully support new Evaluated Nuclear Data File (ENDF) formats, including the Generalized Nuclear Database Structure (GNDS) in AMPX.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Enhancing segmentation fairness through curriculum learning and progressive loss: a centralized and federated perspective on radiograph analysis

Bias in medical image segmentation can lead to unequal performance across demographic subgroups, raising concerns about fairness and reliability in clinical AI systems. While deep learning models have achieved high segmentation accuracy, ensuring equitable performance across race and gender remains a significant challenge, particularly in privacy-sensitive healthcare environments. This study investigates fairness-aware medical image segmentation for hip and knee radiographs using deep learning models evaluated in both centralized and Federated Learning (FL) settings. We introduce Curriculum Learning (CL) strategies and Progressive Loss (PL) functions to regulate sample difficulty during training. In addition, we propose two novel fairness-oriented federated learning algorithms, Federated Intersection over Union (FedIoU) and Federated Intersection over Union with Outlier Analysis (FedIoUoutlier). Experiments are conducted using multiple segmentation backbones and simulated multi-site data partitions derived from the Osteoarthritis Initiative dataset. Model performance is evaluated using Intersection over Union (IoU), IoU standard deviation, Skewed Error Ratio (SER), and Min-Max Disparity across race and gender subgroups. Statistical significance was verified using paired t-tests to compare per-sample IoU performance against baseline configurations. Across both hip and knee segmentation tasks, curriculum learning and progressive loss strategies consistently improved segmentation accuracy and reduced demographic performance disparities in centralized training. In federated settings, fairness-aware aggregation further enhanced performance. Notably, FedIoUoutlier combined with balanced curriculum learning and tiered progressive loss achieved the highest mean IoU while yielding the lowest SER and Min-Max Disparity, indicating improved fairness without sacrificing accuracy. In several configurations, federated models matched or exceeded the performance of optimized centralized models, with statistically significant improvements in per-sample IoU over baseline configurations. The results demonstrate that structured training strategies and fairness-aware federated aggregation can jointly improve accuracy, stability, and demographic fairness in medical image segmentation. By integrating curriculum learning, progressive loss, and novel FL algorithms, this work provides a practical pathway toward equitable and privacy-preserving AI systems for medical imaging.

97 MATHEMATICS AND COMPUTING↗

Part 1: Aspects of lithospheric evolution on Venus. Part 2: Thermal and collisional histories of chondrite parent bodies

The geological evolution of distinctly different kinds of solar system objects is addressed. Venus has been observed over the past decade by orbital radars on both American and Soviet spacecraft. These surface measurements provide clues to the structure and evolution of the lithosphere. The parent bodies of chondritic meteorites, thought to resemble asteroids, represent the other end of the size spectrum of terrestrial objects. Their early thermal and collisional histories may be constrained by the chemical and textural record preserved in meteorite samples. Impact craters on Venus have been observed by the Soviet Venera 15/16 spacecraft. A formalism is presented by which the size-frequency distribution of impact craters may be used to estimate upper bounds on the mean global rates of volcanic resurfacing and lithospheric recycling on that planet over the past several hundred million years. The impact crater density reported from Venera observations, if valid for the entire Venus surface, indicates a mean volcanic flux no greater than 2 cu km/y, corresponding to a maximum average rate of resurfacing of about 4 km/b.y. For the lowest estimated mean crater retention age of the surface of Venus imaged by Venera 15/16, the rate of lithospheric recycling on Venus does not exceed 1.5 sq km/y. Ordinary chondrite meteorites show textural and chemical patterns indicative of varying intensities of thermal metamorphism. The conventional onion-shell model, which envisions highly metamorphosed material in the core and less intensely heated rocks near the surface, predicts an inverse relation between peak temperature and cooking rate, but none has been observed. A metamorphosed-planetesimal model is devised to explain this discrepancy, whereby heating occurs in planetesimals a few kilometers in radius which then accrete to form 100-km-radius parent bodies. Cooling rates are then randomly controlled by burial depth. Thermal and collisional constraints are examined, and the model is found to be applicable only to highly insulating Al-26-rich planetesimals that remain closely aggregated upon accretion. An alternative model is presented, in which onion-shell parent bodies are collisionally fragmented during metamorphism and then gravitationally reassembled. If reassembly times are short, then cooling rates would be determined by burial depth in the reaccreted parent body. This model, unlike previous ones, can explain both coherent and incoherent cooling of Breccia clasts by collisions during or after metamorphism, respectively.

Grimm, Robert E.↗

A spectral multi-domain technique applied to high-speed chemically reacting flows

The first applications of a spectral multidomain method for viscous compressible flow is presented. The method imposes a global flux balance condition at the interface so that high-order continuity of the solution is preserved. The global flux balance is imposed in terms of a spectral integral of the discrete equations across adjoining domains. Since the discretized equations interior to each domain solved are uncoupled from each other, and since the interface relation has a block structure, the solution scheme can be adapted to the particular requirements of each subdomain. The spectral multidomain technique presented is well-suited for the multiple scales associated with the chemically reacting and transition flows in hypersonic research. A nonstaggered multidomain discretization is used for the chemically reacting flow calculation, and the first implementation of a staggered multidomain mesh is presented for accurately solving the stability equation for a viscous compressible fluid.

Macaraeg, Michele G.↗

International Space Station USOS Waste and Hygiene Compartment Development

The International Space Station (ISS) currently provides human waste collection and hygiene facilities in the Russian Segment Service Module (SM) which supports a three person crew. Additional hardware is planned for the United States Operational Segment (USOS) to support expansion of the crew to six person capability. The additional hardware will be integrated in an ISS standard equipment rack structure that was planned to be installed in the Node 3 element; however, the ISS Program Office recently directed implementation of the rack, or Waste and Hygiene Compartment (WHC), into the U.S. Laboratory element to provide early operational capability. In this configuration, preserved urine from the WHC waste collection system can be processed by the Urine Processor Assembly (UPA) in either the U.S. Lab or Node 3 to recover water for crew consumption or oxygen production. The human waste collection hardware is derived from the Service Module system and is provided by RSC-Energia. This paper describes the concepts, design, and integration of the WHC waste collection hardware into the USOS including integration with U.S. Lab and Node 3 systems.

Link, Dwight E., Jr.↗