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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 91 records · Page 5

Decoding THz‐Driven Dynamic Fingerprints of Ferroelectric Nanotwin Networks

Ultrafast polarization dynamics in ferroelectrics are of considerable interest for high-speed tunable dielectrics and electro-optics. Extended domain wall networks formed in ferroelectric twin nanodomains can support collective dynamics in the terahertz regime but require techniques that track polarization and strain evolution driven by ultrafast stimulus. Here, we use multi-modal probing of THz-pulse-driven excitations in PbTiO 3 /SrTiO 3 superlattices by combining X-ray free electron laser measurements that directly tracks lattice changes, with optical second harmonic generation that tracks the electronic potential coupled with the lattice potential. Dynamical phase-field modeling enables fingerprinting of these collective modes as superpositions of domain “breathing” through wall oscillations and polarization “rotations” with still walls. Ultrafast domain wall motion at 0.1–0.5 THz is observed at practical fields of 100 kV/cm with wall velocities of >4000 m/s, approaching typical speed of sound in PbTiO 3 . A unique “charging” mode is discovered that can electrically charge and discharge domain walls on ∼4 ps time scale thus dynamically tuning wall conductivity. Integrated experimental and theoretical fingerprinting of the dynamical landscape presented here enables ultrafast control of ferroics for high-speed microelectronics and optical applications.

THz dynamics↗

Effect of Thermal Oxidation on the Structure, Surface Texturing, and Microstructure Evolution in Nanocrystalline Ga-O-N Films

An extensive examination of the nanoscale, crystallographic growth dynamics of the system, which is impacted by the thermal energy given to the GaN, is carried out to derive a deeper understanding of the growth kinetics, morphology and microstructure evolution, chemical bonding, and optical properties of Ga-O-N films. Thermal annealing of GaN films is performed in the temperature range of 900–1200 °C. Crystal structure, phase formation, chemical composition, surface morphology, and microstructure evolution of Ga-O-N films are investigated as a function of temperature. Increasing temperature induces surface oxidation, which results in the formation of stable β-Ga2O3 phase in the GaN matrix, where the overall film composition evolves from nitride (GaN) to oxynitride (Ga-O-N). While GaN surfaces are smooth, planar, and featureless, oxidation induced granular-to-rod shaped morphology evolution is seen with increasing temperature to 1200 °C. The considerable texturing and stability of the nanocrystalline Ga-O-N on Si substrates can be attributed to the surface and interface driven modification because of thermal treatment. Corroborating with structure and chemical changes, Raman spectroscopic analyses also indicate that the chemical bonding evolution progresses from fully Ga-N bonds to Ga-O-N. While the GaN oxidation process starts with the formation of β-Ga 2 O 3 at an annealing temperature of 1000 °C, higher annealing temperatures induce structural distortion with the potential formation of Ga-O-N bonds. The structure-phase-chemical composition correlation, which will be useful for nanocrystalline materials for selective optoelectronic applications, is established in Ga-O-N films made by thermal treatment of GaN.

36 MATERIALS SCIENCE↗

Temperature Dependent Spin Dynamics in La 0.67 Sr 0.33 MnO 3 /Pt Bilayers

Complex ferromagnetic oxides such as La 0.67 Sr 0.33 MnO 3 (LSMO) offer pathways for creating energy‐efficient spintronic devices with new functionalities. LSMO exhibits high‐temperature ferromagnetism, half metallicity, sharp resonance linewidth, low damping, and a large anisotropic magnetoresistance response. Combined with Pt, a proven material with high spin‐charge conversion efficiency, LSMO can be used to create robust nano‐oscillators for neuromorphic computing. Ferromagnetic resonance (FMR) and device‐level spin‐pumping FMR measurements are performed to investigate the magnetization dynamics and spin transport in NdGaO 3 (110)/LSMO(15 nm)/Pt(0 and 5 nm) thin films ranging from 300 K to 90 K and compare the device performance with Py(7 nm)/Pt(5 nm) sample. The spin current pumped into Pt is quantified to determine the temperature‐dependent influence of interfacial interactions. The generated spin current in the micro‐device is maximum at 170 K for the optimally grown LSMO/Pt films. Additionally, this bilayer system exhibits low magnetic Gilbert damping (0.002), small linewidth (12 Oe), and a large spin Hall angle (≈3.2%) at 170 K. Ex situ deposited LSMO/Pt bilayers demonstrate excellent dynamic response, exhibiting fourfold enhancement in signal output, eightfold reduction in damping, and a threefold reduction in linewidth as compared to the Pt/Py system. Such robust device‐level performance can pave way for energy‐efficient spintronic‐based devices.

complex perovskite thin films↗

Ultrafast (1‐5 sec) Lamination of Perovskite Solar Cells With Self‐Encapsulation Using Rapid Joule Heating

Perovskite solar cells (PSCs) are traditionally fabricated using sequential layer‐by‐layer deposition, in which each layer of the device is processed on top of the preceding layer. This constrains the processing techniques and selection of transport layer materials that can be used in the solar cell. To overcome these challenges, two half‐cells can be processed independently and then diffusion‐bonded through a lamination process. However, current lamination processes for perovskite solar cells suffer from relatively long process times, which can limit throughput when moving toward high‐volume manufacturing. In this study, a custom platform was designed for rapid‐joule heating of perovskite materials and devices. This enabled more than a 99% reduction in lamination time from 26 min to 1 s. Perovskite samples that were laminated in 1 s exhibited comparable values of percent bonded area, interfacial toughness, grain domain size, and X‐ray diffraction spectra to those laminated in greater than 10 min. As a proof‐of‐concept, 18.3% efficient devices were successfully laminated in 5 s. A transient heat transfer model was developed to describe the relationship between the perovskite temperature and the electrical power supplied to the heaters, establishing a baseline for predicting processing conditions in large‐scale manufacturing systems. Ultra‐fast lamination provides a pathway toward scalable roll‐to‐roll or sheet‐to‐sheet manufacturing of PSCs.

heat transfer↗

Surface Energy Modulated Self‐Assembly of Percolative Gallium Nanodroplet Films for Stretchable Electronics

Advancements in soft robotics and wearable technologies have led to an increased need for flexible and stretchable electronic systems. Liquid metals like Gallium (Ga) and its alloys offer high potential in the field of stretchable electronics and photonics due to their inherent high conductivity and malleability. However, their high surface tension and native oxide formation hinder uniform wetting and continuous film formation to get conducting films. Here, we report a fabrication strategy to realize electrically conductive Ga thin films with effective thicknesses around 100 nm on polymeric and elastomeric substrates. By enhancing the surface energy of the elastomer, we create uniform Ga nanodroplets capable of sustaining stretchability up to 200% strain. Our devices exhibit electronic conduction primarily through tunneling and display strain tunable piezoresistive characteristics, which are explained using Kirchhoff's resistive network and Simmon's analytical tunneling current model. To showcase the device's capability in fields of stretchable electronics, we demonstrate several functional prototypes, including flexible devices integrated with Light Emitting Diodes (LEDs), curvature and pressure sensors, and soft robotic grippers capable of sensing object curvature. The demonstrated devices highlight the potential of this approach for scalable integration of stretchable electronics in soft robotic and wearable platforms.

42 ENGINEERING↗

Polysulfamates as “Macroisosteres” of Polyurethanes with Improved Degradability

Abstract Addressing the environmental persistence of plastics requires the development of next‐generation polymers that combine high performance with enhanced degradability. Progress toward this grand challenge has been impeded, in part, by the absence of a general blueprint for the macromolecular design of such materials. Herein, we introduce a “macroisostere” design strategy, where the carbonyl group (–CO–) in polyurethanes (PUs) is replaced with a sulfonyl group (–SO 2 –), resulting in a virtually unknown family of polymers called polysulfamates. This approach, inspired by the use of bioisosteres in drug discovery, aims to preserve key interchain interactions that contribute to thermomechanical performance while enhancing the hydrolytic lability of the polymer backbone. The optimization of a Sulfur(VI) Fluoride Exchange (SuFEx) polymerization allowed the synthesis of ten polysulfamates structurally analogous to common PUs. Comparative analysis of one PU and its polysulfamate analog showed that this isosteric substitution increases thermal stability, slightly lowers the glass transition temperature, and retains similar hardness and reduced Young's modulus. Notably, the S(VI)‐based polysulfamate demonstrated significantly enhanced hydrolytic degradability. These results highlight the potential of the “macroisostere” approach as a generalizable strategy for designing high‐performance, degradable alternatives to traditional plastics.

Chemistry↗

Breaking the Linear Scaling Relations for the Oxygen Reduction Reaction with a Dual‐Atom Catalyst Composed of a MnFe‐Porphyrrole Aerogel

Bimetallic catalysts offer enhanced catalytic performance through synergistic interactions between the two metals, allowing them to break the linear scaling relations and reach high electrocatalytic activity. This study presents bimetallic aerogel-based catalyst synthesized as a covalent, three-dimensional framework containing neighboring iron and manganese sites. The aerogel structure provides a high surface area and porosity, facilitating an ultra-high active site density and efficient mass transport. The MnFe porphyrrole's unique structure is obtained by alternately linking Mn-porphyrin and Fe-corrole complexes. It exhibited outstanding performance with an onset potential of 0.99 V RHE . Comparative studies with a free-base Fe porphyrrole catalyst (E onset 0.97 V RHE ) revealed that while Mn incorporation led to only a slight improvement in half-cell performance, it resulted in significantly enhanced performance in anion exchange membrane fuel cell. The MnFe catalyst achieved an OCV of 0.97 V and a peak power density of 0.27 W cm −2 , outperforming the free-base Fe counterpart. Using density functional theory calculations, we show that the higher ORR activity of MnFe-porphyrrole is due to charge transfer between Mn and Fe atoms, which is absent in the reference free-base Fe-porphyrrole. These findings underscore the advantages of bimetallic catalysts in improving ORR activity and fuel cell efficiency by leveraging synergistic effects.

Aerogel↗

Cross‐Cultural Validation of the Binge Eating Disorder Screener‐7 ( BEDS ‐7) Across 42 Countries

ABSTRACT Objective This study aimed to evaluate the reliability and validity of the Binge Eating Disorder Screener‐7 (BEDS‐7) across 42 countries and 26 languages, assessing its reliability and validity as a screening tool for binge‐eating disorder (BED) in diverse cultural contexts. Specifically, it sought to enhance early recognition of BED symptoms in primary care settings globally, contributing to a standardized framework for assessing BED. Method The International Sex Survey, a cross‐sectional online study, was conducted in 42 countries and 26 languages. A diverse community sample of 82,243 participants, aged 18 years or older, completed the BEDS‐7 and measures of sexuality, mental health, substance use, and sociodemographic characteristics. Confirmatory factor analyses and tests of measurement invariance were employed to evaluate the reliability and validity of the BEDS‐7 across languages, countries, genders, and sexual orientations. Results The BEDS‐7 demonstrated scalar factorial invariance across languages and countries, indicating consistent factor loadings and item intercepts. In contrast, the screener showed residual invariance across gender and sexual orientation groups, supporting its robustness across these demographics. Kruskal–Wallis tests revealed significant differences in BED symptoms across languages, countries, genders, and sexual orientations, with the highest BED scores observed among queer, pansexual, and gender‐diverse individuals. The BEDS‐7 also demonstrated adequate reliability (Cronbach's alpha > 0.80) and moderate criterion validity. Discussion The findings provide further evidence of the reliability and validity of the BEDS‐7 as a potential screening tool for identifying probable cases of BED globally, facilitating early intervention in primary care settings.

Gewirtz‐Meydan, Ateret [School of Social Work, Fac↗

Nanofiltration Membranes for Li + /Mg 2+ Separation: Materials and Mechanisms

Nanofiltration (NF) membranes have garnered significant interest for Li + /Mg 2+ separation, a crucial step in lithium extraction from brines. The state-of-the-art commercial LiNE-XD membrane exhibits a Li + /Mg 2+ separation factor (SF Li/Mg ) of 42 at pH 3.3, due to the positive charges on the membrane surface and its strong size-sieving ability. Membranes with higher separation factors at a broad pH range are being pursued to improve separation efficiency. This work aims to provide a timely and comprehensive assessment of advanced NF membranes with superior Li + /Mg 2+ separation properties, as well as their structure and property relationships for designing next-generation membranes. We describe transport mechanisms for ions in NF membranes and discuss governing parameters and models employed to quantify the Li + /Mg 2+ separation. High-performance membrane materials are exhaustively introduced, including commercial and modified polyamides, two-dimensional materials, metal–organic frameworks, crown ethers, and their blends. Finally, we critically compare these membranes in an upper bound plot and highlight the opportunities and challenges of NF membranes for practical Li + /Mg 2+ separations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Functional Relevance of CASP16 Nucleic Acid Predictions as Evaluated by Structure Providers

ABSTRACT Accurate biomolecular structure prediction enables the prediction of mutational effects, the speculation of function based on predicted structural homology, the analysis of ligand binding modes, experimental model building, and many other applications. Such algorithms to predict essential functional and structural features remain out of reach for biomolecular complexes containing nucleic acids. Here, we report a quantitative and qualitative evaluation of nucleic acid structures for the CASP16 blind prediction challenge by 12 of the experimental groups who provided nucleic acid targets. Blind predictions accurately model secondary structure and some aspects of tertiary structure, including reasonable global folds for some complex RNAs; however, predictions often lack accuracy in the regions of highest functional importance. All models have inaccuracies in non‐canonical regions where, for example, the nucleic‐acid backbone bends, deviating from an A‐form helix geometry, or a base forms a non‐standard hydrogen bond (not a Watson‐Crick base pair). These bends and non‐canonical interactions are integral to forming functionally important regions such as RNA enzymatic active sites. Additionally, the modeling of conserved and functional interfaces between nucleic acids and ligands, proteins, or other nucleic acids remains poor. For some targets, the experimental structures may not represent the only structure the biomolecular complex occupies in solution or in its functional life cycle, posing a future challenge for the community.

Biochemistry & Molecular Biology↗

Modeling, Validation, and Control of the IEA‐15 MW Reference Wind Turbine and VolturnUS‐S Platform

This paper presents the acausal modeling, validation, and control of floating offshore wind turbines (FOWTs). The model simulates the IEA‐15 MW reference turbine and the semi‐submersible VolturnUS‐S platform utilizing a Control‐oriented, Reconfigurable, and Acausal Floating Turbine Simulator (CRAFTS), which integrates the key coupled aero‐hydro‐elasto‐servo dynamics and is being developed by authors at the University of Central Florida. Verification and validation are conducted using numerical data from the industry‐standard simulation platform OpenFAST and experimental data from the Floating Offshore‐wind and Controls Advanced Laboratory (FOCAL) project, in which the authors were involved. Numerical results demonstrate the model's ability to qualitatively capture loads and responses across various load cases, highlighting the impact of the control system under different wind and wave conditions and opening new opportunities for optimizing FOWT designs. This paper provides wind turbine researchers with valuable insights into system characteristics, system frequencies, damping effects, and internal reaction forces, serving as a reference for future studies in FOWT modeling and control.

17 WIND ENERGY↗

Measurement of inclusive and differential cross sections of single top quark production in association with a W boson in proton-proton collisions at $\sqrt{s}$ = 13.6 TeV

The first measurement of the inclusive and normalised differential cross sections of single top quark production in association with a W boson in proton-proton collisions at a centre-of-mass energy of 13.6 TeV is presented. The data were recorded with the CMS detector at the LHC in 2022, and correspond to an integrated luminosity of 34.7 fb −1 . The analysed events contain one muon and one electron in the final state. For the inclusive measurement, multivariate discriminants exploiting the kinematic properties of the events are used to separate the signal from the dominant top quark-antiquark production background. A cross section of $82.3\pm 2.1{\left(\textrm{stat}\right)}_{-9.7}^{+9.9}\left(\textrm{syst}\right)\pm 3.3\left(\textrm{lumi}\right)$ pb is obtained, consistent with the predictions of the standard model. A fiducial region is defined according to the detector acceptance to perform the differential measurements. The resulting differential distributions are unfolded to particle level and show good agreement with the predictions at next-to-leading order in perturbative quantum chromodynamics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Measurements of the inclusive W and Z boson production cross sections and their ratios in proton-proton collisions at $\sqrt{s}=13.6$ TeV

Measurements are presented of the W and Z boson production cross sections in proton-proton collisions at a center-of-mass energy of 13.6 TeV. Data collected in 2022 and corresponding to an integrated luminosity of 5.01 fb −1 with one or two identified muons in the final state are analyzed. The results for the products of total inclusive cross sections and branching fractions for muonic decays of W and Z bosons are 11.93 ± 0.08 (syst) ± 0.17 (lumi) $^{+0.07}_{−0.07}$ (acceptance) nb for W + boson production, 8.86 ± 0.06 (syst) ± 0.12 (lumi) $^{+0.05}_{−0.06}$ (acceptance) nb for W − boson production, and 2.021 ± 0.009 (syst) ± 0.028 (lumi) $^{+0.011}_{−0.013}$ (acceptance) nb for the Z boson production in the dimuon mass range of 60–120 GeV, all with negligible statistical uncertainties. Furthermore, the corresponding fiducial cross sections, as well as cross section ratios for both fiducial and total phase space, are provided. The ratios include charge-separated results for W boson production (W + and W − ) and the sum of the two contributions (W ± ), each relative to the measured Z boson production cross section. Additionally, the ratio of the measured cross sections for W + and W − boson production is reported. All measurements are in agreement with theoretical predictions, calculated at next-to-next-to-leading order accuracy in quantum chromodynamics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Search for long-lived heavy neutral leptons in proton-proton collision events with a lepton-jet pair associated with a secondary vertex at $\sqrt{s}$ = 13 TeV

A search for long-lived heavy neutral leptons (HNLs) using proton-proton collision data corresponding to an integrated luminosity of 138 fb −1 collected at $\sqrt{s}$ = 13 TeV with the CMS detector at the CERN LHC is presented. Events are selected with a charged lepton originating from the primary vertex associated with the proton-proton interaction, as well as a second charged lepton and a hadronic jet associated with a secondary vertex that corresponds to the semileptonic decay of a long-lived HNL. No excess of events above the standard model expectation is observed. Exclusion limits at 95% confidence level are evaluated for HNLs that mix with electron and/or muon neutrinos. Limits are presented in the mass range of 1–16.5 GeV, with excluded square mixing parameter values reaching as low as 2 × 10 −7 . For masses above 11 GeV, the presented limits exceed all previous results in the semileptonic decay channel, and for some of the considered scenarios are the strongest to date.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Search for dark matter produced in association with a pair of bottom quarks in proton-proton collisions at $\sqrt{s}$ = 13 TeV

A search for dark matter (DM) particles produced in association with bottom quarks is presented. The analysis uses proton-proton collision data at a center-of-mass energy of $\sqrt{s}$ = 13 TeV, corresponding to an integrated luminosity of 138 fb -1 . The search is performed in a final state with large missing transverse momentum and a pair of jets originating from bottom quarks. No significant excess of data is observed with respect to the standard model expectation. Results are interpreted in the context of a type-II two-Higgs-doublet model with an additional light pseudoscalar (2HDM+a). An upper limit is set on the mass of the lighter pseudoscalar, probing masses up to 260 GeV at 95% confidence level. Sensitivity to the parameter space with the ratio of the vacuum expectation values of the two Higgs doublets, tan β, greater than 15 is achieved, capitalizing on the enhancement of couplings between pseudoscalars and bottom quarks with high tan β.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Search for a heavy resonance decaying into a Z and a Higgs boson in events with an energetic jet and two electrons, two muons, or missing transverse momentum in proton-proton collisions at $\sqrt{s}$ = 13 TeV

A search is presented for a heavy resonance decaying into a Z boson and a Higgs (H) boson. The analysis is based on data from proton-proton collisions at a centre-of-mass energy of 13 TeV corresponding to an integrated luminosity of 138 fb$^{−1}$, recorded with the CMS experiment in the years 2016–2018. Resonance masses between 1.4 and 5 TeV are considered, resulting in large transverse momenta of the Z and H bosons. Final states that result from Z boson decays to pairs of electrons, muons, or neutrinos are considered. The H boson is reconstructed as a single large-radius jet, recoiling against the Z boson. Machine-learning flavour-tagging techniques are employed to identify decays of a Lorentz-boosted H boson into pairs of charm or bottom quarks, or into four quarks via the intermediate H → WW$^{*}$ and ZZ$^{*}$ decays. The analysis targets H boson decays that were not generally included in previous searches using the H → $ \textrm{b}\overline{\textrm{b}} $ channel. Compared with previous analyses, the sensitivity for high resonance masses is improved significantly in the channel where at most one b quark is tagged.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Measurement of the $\textrm{t}\overline{\textrm{t}}\textrm{H}$ and tH production rates in the H → $\textrm{b}\overline{\textrm{b}}$ decay channel using proton-proton collision data at $\sqrt{s}$ = 13 TeV

An analysis of the production of a Higgs boson (H) in association with a top quark-antiquark pair ($\textrm{t}\overline{\textrm{t}}\textrm{H}$) or a single top quark (tH) is presented. The Higgs boson decay into a bottom quark-antiquark pair (H → $\textrm{b}\overline{\textrm{b}}$) is targeted, and three different final states of the top quark decays are considered, defined by the number of leptons (electrons or muons) in the event. The analysis utilises proton-proton collision data collected at the CERN LHC with the CMS experiment at $\sqrt{s}$ = 13 TeV in 2016–2018, which correspond to an integrated luminosity of 138 fb −1 . The observed $\sqrt{s}$ production rate relative to the standard model expectation is 0.33 ± 0.26 = 0.33 ± 0.17(stat) ± 0.21(syst). Additionally, the $\textrm{t}\overline{\textrm{t}}\textrm{H}$ production rate is determined in intervals of Higgs boson transverse momentum. An upper limit at 95% confidence level is set on the tH production rate of 14.6 times the standard model prediction, with an expectation of ${19.3}_{-6.0}^{+9.2}$. Finally, constraints are derived on the strength and structure of the coupling between the Higgs boson and the top quark from simultaneous extraction of the $\textrm{t}\overline{\textrm{t}}\textrm{H}$ and tH production rates, and the results are combined with those obtained in other Higgs boson decay channels.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Measurements of inclusive and differential cross sections for top quark production in association with a Z boson in proton-proton collisions at $\sqrt{s} $ = 13 TeV

Measurements are presented of inclusive and differential cross sections for Z boson associated production of top quark pairs ($ \textrm{t}\overline{\textrm{t}}\textrm{Z} $) and single top quarks (tZq or tWZ). The data were recorded in proton-proton collisions at a center-of-mass energy of 13 TeV, corresponding to an integrated luminosity of 138 fb$^{−1}$. Events with three or more leptons, electrons or muons, are selected and a multiclass deep neural network is used to separate three event categories, the $ \textrm{t}\overline{\textrm{t}}\textrm{Z} $ and tWZ processes, the tZq process, and the backgrounds. A profile likelihood approach is used to unfold the differential cross sections, to account for systematic uncertainties, and to determine the correlations between the two signal categories in one global fit. The inclusive cross sections for a dilepton invariant mass between 70 and 110 GeV are measured to be 1.14 ± 0.07 pb for the sum of $ \textrm{t}\overline{\textrm{t}}\textrm{Z} $ and tWZ, and 0.81 ± 0.10 pb for tZq, in good agreement with theoretical predictions.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗