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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 55 records · Page 3

In-plane quasi-single-domain BaTiO 3 via interfacial symmetry engineering

The control of the in-plane domain evolution in ferroelectric thin films is not only critical to understanding ferroelectric phenomena but also to enabling functional device fabrication. However, in-plane polarized ferroelectric thin films typically exhibit complicated multi-domain states, not desirable for optoelectronic device performance. Here we report a strategy combining interfacial symmetry engineering and anisotropic strain to design single-domain, in-plane polarized ferroelectric BaTiO 3 thin films. Theoretical calculations predict the key role of the BaTiO 3 /PrScO 3 (110) O substrate interfacial environment, where anisotropic strain, monoclinic distortions, and interfacial electrostatic potential stabilize a single-variant spontaneous polarization. A combination of scanning transmission electron microscopy, piezoresponse force microscopy, ferroelectric hysteresis loop measurements, and second harmonic generation measurements directly reveals the stabilization of the in-plane quasi-single-domain polarization state. This work offers design principles for engineering in-plane domains of ferroelectric oxide thin films, which is a prerequisite for high performance optoelectronic devices.

36 MATERIALS SCIENCE↗

Effect of Co on twin formation and magnetic properties of Sm(Fe,Ti,V) 12 alloys

Transferring the excellent intrinsic magnetic properties of SmFe 12 -based compounds to their extrinsic properties remains the main challenge in the development of high-performance SmFe12-based permanent magnets. Twin formation is one of the reasons for the inability to achieve high coercivity and remanence. Here we have shown that the addition of Co in Sm(Fe 1-x Co x ) 10–11 M 1–2 alloys, where M=Ti and V, leads to an increase in twin density. Microstructural characterizations revealed that the atomic arrangement in the twin boundary changes depending on the stabilizing element, which directly influences the local intrinsic magnetic properties. Theoretical investigations showed that the critical grain size at which twin formation can be hindered by grain size reduction decreases when the stabilizer changes from V to Ti. Furthermore, this study shows that the alloy composition influences not only the intrinsic magnetic properties but also the twin formation energy and its grain size dependence, crucial for the design of SmFe12-based permanent magnets.

36 MATERIALS SCIENCE↗

Reliable Devices Yield Stable Quantum Computations

Stable quantum computation requires noisy results to remain bounded even in the presence of noise fluctuations. Yet non-stationary noise processes lead to drift in the varying characteristics of a quantum device that can greatly influence the circuit outcomes. Here we address how temporal and spatial variations in noise relate device reliability to quantum computing stability. First, our approach quantifies the differences in statistical distributions of characterization metrics collected at different times and locations using Hellinger distance. We then validate an analytical bound that relates this distance directly to the stability of a computed expectation value. Our demonstration uses numerical simulations with models informed by the washington superconducting transmon device. We find that the stability metric is consistently bounded from above by the corresponding Hellinger distance, which can be cast as a specified tolerance level. These results underscore the significance of reliable quantum computing devices and the impact for stable quantum computation.

Dasgupta, Samudra↗

Solvation-guided inhibition of manganese dissolution of lithium- and manganese- rich cathode via cyclic carbonate molecular engineering

Lithium and manganese-rich (LMR) layered oxides represent a leading class of high-energy cathode materials, but their practical realization is fundamentally limited by severe manganese (Mn) dissolution, a process that triggers structural degradation and rapid capacity fade. While mitigation efforts have predominantly focused on interfacial engineering, the intrinsic contribution of bulk electrolyte solvation to this degradation pathway remains largely unexplored, primarily due to the difficulty of deconvolving its effects from concurrent cathode-electrolyte interphase (CEI) formation. Here, we report an experimental design to isolate the role of solvation. We systematically varied the electrolyte solvent solvation power by substituting the strongly coordinating ethylene carbonate (EC) with its weaker coordinating fluorinated derivatives, fluoroethylene carbonate (FEC) and trans-4,5-Difluoro-1,3-dioxolan-2-one (DFEC), while maintaining a consistent interfacial chemistry. Remarkably, the electrolyte formulated with the weakest solvent, DFEC, exhibits superior cycling stability, suppressing Mn dissolution by up to 63% relative to the conventional EC-based system. Post-mortem analysis unequivocally attributes this performance enhancement to the preservation of the LMR cathode's structural integrity, a direct consequence of mitigated Mn dissolution. This work provides conclusive evidence that modulating bulk electrolyte solvation is a potent and direct strategy for stabilizing LMR cathodes, establishing a vital design principle for next-generation battery systems.

25 ENERGY STORAGE↗

Tri-Sectional Approximation of the Shortest Path to Long-Term Voltage Stability Boundary with Distributed Energy Resources

Ensuring long-term voltage stability is critical for reliable operations of power grids. High share of distributed energy resources (DERs) can create complicated system operation modes that may invalidate the traditional long-term voltage stability analysis based on typical operation modes. To address this challenge, this paper investigates how to compute the shortest path to the voltage stability boundary in the DER aggregated load space with large dispersion. Instead of working in the Euclidean space, we establish the analysis and computations on the algebraic power flow manifold to better capture the curvature change of the shortest path along the direction of losing stability. A modified optimal control framework is presented for obtaining the ground-truth of the smooth shortest path on the manifold. To efficiently and accurately solve for the shortest path, we further leverage the geometric features of the power flow manifold and propose a tri-sectional approximation model that is scalable for large-scale systems. Several numerical examples, up to the 1354-bus system, with different DER penetration levels and high dimensional renewable power injection variations are evaluated. The simulation results demonstrate that the tri-sectional approximation achieves high accuracy and efficiency to approximate the shortest path to the voltage stability boundary.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Boundary Layer Climatology at ARM Southern Great Plains

Operational since 1992, the Atmospheric Radiation Measurement (ARM) southern great plains (SGP) site at Oklahoma, USA has become a reference research site for meteorological studies. Due to an open data policy the ARM data are used by researchers all over the world. In this report, we review the long-term climatology of the atmospheric boundary layer, SGP instrumentations, the site and some site-specific atmospheric conditions which potentially effect wind turbines within the region. As the atmospheric boundary layer is bounded and influenced by the surface, observations of surface radiation components and heat fluxes are crucial in understanding land-atmosphere interactions. The entrainment of air, updrafts, downdrafts and boundary layer height characteristics is needed for understanding the structure and growth of the atmospheric boundary layer. Therefore, measurements from both surface in-situ and remote sensing observations at SGP provide an overall climatology and their interactions from surface up to the boundary layer. Measurements from a 60 m meteorological tower, surface flux stations, disdrometers, soil temperature and moisture flux plates, coherent Doppler lidar, Raman lidar, radiosondes, and satellite data at SGP central facility were analyzed. All the measurements were generally within a few square kilometers of each other at the central facility. This report focuses on data from January 2010 to June 2020 at SGP central facility. The various sections describe the ARM SGP site and surrounding wind turbines; in-situ and remote sensing instrumentation used in the report; provides mathematical equations to analyze fluxes, turbulence and other boundary layer parameters; a climatological analysis of surface winds, fluxes and thermodynamic parameters for several years; an analysis of observed winds in the framework of Monin-Obukhov Similarity Theory; an analysis of the boundary layer winds and direction from a Doppler lidar; multi-year turbulence estimates through the boundary layer from a Doppler lidar; atmospheric boundary layer water vapor and relative humidity profiles from Raman lidar; cloud base height and boundary layer height from multiple sensors and satellite data; and finally site specific atmospheric conditions, such as nocturnal low-level jets. Diurnal, seasonal and yearly variations of surface, sub-surface and boundary layer quantities, such as wind speed, direction, temperature, atmospheric stability, soil temperature, and various atmospheric fluxes at SGP showed distinct trends useful for focused modeling studies. The applicability of surface similarity theory on ARM SGP data is also evaluated, which showed northerly flows are aligned with MO theory estimates compared to southerly flows. Boundary layer winds and direction profiles for several years from a Doppler lidar shows a consistent presence of a nocturnal low-level jet and predominant southerly wind directions through the boundary layer at SGP. The inter-annual variability at SGP is low (<3.5%), with a mean annual wind speed of approximately 7 m s -1 at 100 m above ground level. Boundary layer turbulence and moisture transport from Doppler and Raman lidars are evaluated, which provides evidence of increased water vapor mass flux into the great plains during nocturnal low-level jets. The moisture flux from nocturnal low-level jets is observed to be maximum during summer periods. A novel machine learning algorithm is implemented to accurately estimate the planetary boundary layer height, providing further insights into growth and destruction of the convective boundary layer height during various seasons and land-atmosphere conditions. The high frequency of low-level clouds during winter, spring and fall seasons is validated using the multi-sensor array and satellite estimates of cloud top height. Satellite vegetative fraction data provides insight into seasonal surface roughness and vegetation variability around SGP site.

54 ENVIRONMENTAL SCIENCES↗

Development of electron source feedback for enhanced X-ray beam stability at NSLS-II

Future synchrotron light sources are being designed to deliver significantly higher brightness and coherence, enabling faster scanning and more advanced imaging techniques. However, realizing these capabilities requires improved X-ray beam stability, as vibrations directly limit measurement accuracy and image quality. At the NSLS-II Hard X-ray Nanoprobe (HXN), a local mechanical feedback system mitigates low-frequency motion but provides only limited suppression of dominant vibrations at 27 Hz and 120 Hz. To address this limitation, this work explores the use of the electron beam itself as the actuator for feedback by integrating X-ray beam position monitor signals into the fast orbit feedback system through a dedicated electrometer. Experimental results show that this approach effectively suppresses the dominant vibration peaks and enhances stability at the focusing point. Benchmark ptychography measurements further confirm that electron-beam-based feedback reduces background fluctuations and mitigates vibration-induced artifacts under fast-scanning conditions. These results establish the feasibility of using the electron beam as a feedback actuator for next-generation synchrotron applications and provide an experimental assessment of its potential and limitations.

36 MATERIALS SCIENCE↗

The Role of Process-Directing Agents on Enamel Lesion Remineralization: Fluoride Boosters

The aim of this study was to investigate the effects of two process-directing agents (polyaspartic acid and osteopontin) used in a polymer-induced liquid-precursor (PILP) process on the remineralization of bacteria-induced enamel demineralization. Enamel demineralization lesions (depths of about 180–200 µm) were created and exposed to Streptococcus mutans, cultured with a 10% sucrose solution for 21 days, and remineralized using a PILP process (pH = 7.4, 14 days) with a calcium phosphate solution containing either polyaspartic acid or osteopontin in the presence or absence of fluoride (0.5 ppm). The specimens were examined under scanning electron microscopy. The fluoride was successfully incorporated into the PILP remineralization process for both polyaspartic acid and osteopontin. When the fluoride was added to the PILP remineralization solution, there was more uniform remineralization throughout the lesion than with either polyaspartic acid or osteopontin alone. However, in the absence of these process-directing agents, fluoride alone showed less remineralization with the formation of a predominantly surface-only layer. The PILP remineralization process relies on the ability of process-directing agents to stabilize calcium phosphate ions and holds promise for enamel lesion remineralization, and these agents, in the presence of fluoride, seem to play an important role as a booster or supplement in the continuation of remineralization by reducing the mineral gains at the surface layer.

59 BASIC BIOLOGICAL SCIENCES↗

Quantitative proteomics reveals extensive lysine ubiquitination and transcription factor stability states in Arabidopsis

Abstract Protein activity, abundance, and stability can be regulated by post-translational modification including ubiquitination. Ubiquitination is conserved among eukaryotes and plays a central role in modulating cellular function; yet, we lack comprehensive catalogs of proteins that are modified by ubiquitin in plants. In this study, we describe an antibody-based approach to enrich ubiquitinated peptides coupled with isobaric labeling to enable quantification of up to 18-multiplexed samples. This approach identified 17,940 ubiquitinated lysine sites arising from 6,453 proteins from Arabidopsis (Arabidopsis thaliana) primary roots, seedlings, and rosette leaves. Gene ontology analysis indicated that ubiquitinated proteins are associated with numerous biological processes including hormone signaling, plant defense, protein homeostasis, and metabolism. We determined ubiquitinated lysine residues that directly regulate the stability of three transcription factors, CRYPTOCHROME-INTERACTING BASIC-HELIX-LOOP-HELIX 1 (CIB1), CIB1 LIKE PROTEIN 2 (CIL2), and SENSITIVE TO PROTON RHIZOTOXICITY1 (STOP1) using in vivo degradation assays. Furthermore, codon mutation of CIB1 to create a K166R conversion to prevent ubiquitination, via CRISPR/Cas9-derived adenosine base editing, led to an early flowering phenotype and increased expression of FLOWERING LOCUS T (FT). These comprehensive site-level ubiquitinome profiles provide a wealth of data for future functional studies related to modulation of biological processes mediated by this post-translational modification in plants.

Biochemistry & Molecular Biology↗

Peptoid-Directed Formation of Five-Fold Twinned Au Nanostars through Particle Attachment and Facet Stabilization

While bio-inspired synthesis offers great potential for controlling nucleation and growth of inorganic particles, precisely tuning biomolecule-particle interactions is a long-standing challenge. Herein, we used variations in peptoid sequence to manipulate peptoid-Au interaction, leading to synthesis of concave five-fold twinned, five-pointed Au nanostars via a process of repeated particle attachment and facet stabilization. Ex situ and liquid-phase TEM observations show that a balance between particle attachment biased to occur near the star points, preferential growth along the [100] direction, and stabilization of (111) facets is critical to forming star-shaped particles. Molecular simulations predict that interaction strengths between peptoids and distinct Au facets differ significantly and thus can alter attachment kinetics and surface energies to form the stars. This work provides new insights into how sequence-defined ligands affect particle growth to regulate crystal morphology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Precision test of gauge/gravity duality in D0-brane matrix model at low temperature

We test the gauge/gravity duality between the matrix model and type IIA string theory at low temperatures with unprecedented accuracy. To this end, we perform lattice Monte Carlo simulations of the Berenstein-Maldacena-Nastase (BMN) matrix model, which is the one-parameter deformation of the Banks-Fischler-Shenker-Susskind (BFSS) matrix model, taking both the large N and continuum limits. We leverage the fact that sufficiently small flux parameters in the BMN matrix model have a negligible impact on the energy of the system while stabilizing the flat directions so that simulations at smaller N than in the BFSS matrix model are possible. Hence, we can perform a precision measurement of the large N continuum energy at the lowest temperatures to date. The energy is in perfect agreement with supergravity predictions including estimations of α'-corrections from previous simulations. At the lowest temperature where we can simulate efficiently (T = 0.25λ 1/3 , where λ is the ’t Hooft coupling), the difference in energy to the pure supergravity prediction is less than 10%. Furthermore, we can extract the coefficient of the 1/N 4 corrections at a fixed temperature with good accuracy, which was previously unknown.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Methane Activation by a Mononuclear Copper Active Site in the Zeolite Mordenite: Effect of Metal Nuclearity on Reactivity

The direct conversion of methane to methanol would have a wide reaching environmental and industrial impact. Copper-containing zeolites can perform this reaction at low temperatures and pressures at a previously defined O 2 -activated [Cu 2 O] 2+ site. However, after autoreduction of the copper-containing zeolite mordenite and removal of the [Cu 2 O] 2+ active site, the zeolite is still methane reactive. In this study, we use diffuse reflectance UV–vis spectroscopy, magnetic circular dichroism, resonance Raman spectroscopy, electron paramagnetic resonance, and X-ray absorption spectroscopy to unambiguously define a mononuclear [CuOH] + as the CH 4 reactive active site of the autoreduced zeolite. The rigorous identification of a mononuclear active site allows a reactivity comparison to the previously defined [Cu 2 O] 2+ active site. We perform kinetic experiments to compare the reactivity of the [CuOH] + and [Cu 2 O] 2+ sites and find that the binuclear site is significantly more reactive. From the analysis of density functional theory calculations, we elucidate that this increased reactivity is a direct result of stabilization of the [Cu 2 OH] 2+ H-atom abstraction product by electron delocalization over the two Cu cations via the bridging ligand. This significant increase in reactivity from electron delocalization over a binuclear active site provides new insights for the design of highly reactive oxidative catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Competing magnetic states in transition metal dichalcogenide moiré materials

Small-twist-angle transition metal dichalcogenide (TMD) heterobilayers develop isolated flat moiré bands that are approximately described by triangular lattice generalized Hubbard models. In this paper we explore the metallic and insulating states that appear under different control conditions at a density of one electron per moiré period and the transitions between them. By combining fully self-consistent Hartree-Fock theory calculations with strong-coupling expansions around the atomic limit, we identify four different magnetic states and one nonmagnetic state near the model phase diagram’s metal-insulator phase transition line. Here, ferromagnetic insulating states, stabilized by nonlocal direct exchange interactions, are surprisingly prominent.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

QCD moat regime and its real-time properties

Dense quantum chromodynamics (QCD) matter may exhibit crystalline phases. Their existence is reflected in a moat regime, where mesonic correlations feature spatial modulations. We study the real-time properties of pions at finite temperature and density in QCD in order to elucidate the nature of this regime. We show that the moat regime arises from particle-hole-like fluctuations near the Fermi surface. This gives rise to a characteristic peak in the spectral function of the pion at nonzero spacelike momentum. This peak can be interpreted as a new quasi particle, the moaton. In addition, our framework also allows us to directly test the stability of the homogeneous chiral phase against the formation of an inhomogeneous condensate in QCD. We find that an inhomogeneous instability is highly unlikely for baryon chemical potentials μ B ≤ 630 MeV . Published by the American Physical Society 2025

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Nonlocal Finite-Depth Circuits for Constructing Symmetry-Protected Topological States and Quantum Cellular Automata

Whether a given target state can be prepared by starting with a simple product state and acting with a finite-depth quantum circuit is a key question in condensed matter physics and quantum information science. It underpins classifications of topological phases, as well as the understanding of topological quantum codes, and has obvious relevance for device implementations. Traditionally, this question assumes that the quantum circuit is made up of unitary gates that are . Inspired by the advent of noisy intermediate-scale quantum devices, we reconsider this question with k - gates, i.e., gates that act on no more than k degrees of freedom but are not restricted to be geometrically local. First, we construct explicit finite-depth circuits of symmetric k -local gates that create symmetry-protected topological (SPT) states from an initial product state. Our construction applies to SPT states protected by global symmetries or subsystem symmetries but not to those with higher-form symmetries, which we conjecture remain nontrivial. Next, we show how to implement arbitrary translationally invariant quantum cellular automata in any dimension using finite-depth circuits of k -local gates. These results imply that the topological classifications of SPT phases and quantum cellular automata both collapse to a single trivial phase in the presence of k -local interactions. We furthermore argue that SPT phases are fragile to k -local symmetric perturbations. We conclude by discussing the implications for other phases, such as fracton phases, and surveying future directions. Our analysis opens a new experimentally motivated conceptual direction examining the stability of phases and the feasibility of state preparation without the assumption of geometric locality. Published by the American Physical Society 2024

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Machine learning of factors for improving oyster hatchery production

Oyster aquaculture and restoration in the Chesapeake Bay are vital, yet hatcheries frequently struggle with inconsistent larval growth and sudden mass mortality events. Unpredictable disruptions in larval production cause large economic losses, represent a perceived risk to growers, and impede industry expansion. To better understand associations between production yield and its potential predictors, we applied machine learning (random forest, and neural network) and statistical (generalized additive model) models to a comprehensive dataset of environmental, water quality, and operational parameters from a Maryland oyster hatchery, aiming to identify key yield predictors and develop a robust forecasting tool. We used recursive Boruta algorithm for variable selection, pinpointing critical predictors, and employed cross-validation to fine-tune model settings. Shapley value analysis offered crucial insights into model interpretations, highlighting week number, Normalized Difference Vegetation Index, salinity, turbidity, and fecundity as primary drivers of yield variability. For low-yield cases, salinity-related variables were particularly important. Our findings provide an early warning system for potential production downturns, empowering hatchery operators to make data-driven decisions for optimizing water conditions, feeding schedules, and broodstock management. By boosting predictability and efficiency, this research directly supports economic stability of the oyster industry and ecological health of the Chesapeake Bay.

Vishwakarma, Srishti [Oak Ridge National Laborator↗

Two-Channel Monopulse Antenna Null Steering

Traditional dual-channel phase-monopulse and amplitude-monopulse antenna systems might electrically steer their difference-channel nulls by suitably adjusting characteristics of their constituent beams or lobes. A phase-monopulse systems' null might be steered by applying suitable relative phase shifts. An amplitude-monopulse systems' null might be steered by applying a suitable relative beam amplitude scaling. The steering of the null might be employed by a continuously mechanically-scanning antenna to stabilize the null direction over a series of radar pulses.

42 ENGINEERING↗

PROCESS-STRUCTURE-PROPERTY RELATIONSHIPS IN LASER POWDER BED FUSION PRODUCED 17-4 PH STEEL

Laser powder bed fusion (LPBF) is a metal additive manufacturing method that produces non-traditional microstructures as a result of the rapid solidification and thermal cycling inherent to the process. When using LPBF-produced material in application, these unique microstructures challenge the applicability of well developed mechanical property databases achieved by conventional heat treatments. For wider adoption of this technology, a more holistic understanding is necessary on how process attributes develop material structure, which dictate mechanical properties. This dissertation explores the process– structure–property relationships in LPBF 17-4 PH steel through systematic evaluation of atmospheric processing and heat treatment effects on microstructure and mechanical performance. Specimens were fabricated under controlled build environments, subjected to a range of solutionizing, homogenizing, and aging treatments, and characterized using optical microscopy, electron back scatter diffraction (EBSD), and X-ray diffraction (XRD) to quantify phase evolution. Tensile testing was performed to directly link heat treatment pathway and nitrogen absorption to mechanical performance. This work demonstrates where conventional heat treatment standards are applicable to LPBF 17-4 PH steel and where modifications are required. By directly correlating phase stability, nitrogen effects, and tensile response, this work provides practical guidelines for tailoring post-processing strategies. These findings underscore that successful application of LPBF 17-4 PH steel requires explicit consideration of both build environment and post-processing. By linking processing conditions to microstructure and performance, this work advances understanding of critical variables that govern reliability of additively manufactured precipitation-hardened stainless steels in demanding applications.

Brown, Benjamin [Kansas City National Security Cam↗