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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 343 records · Page 19

Prompt Searches for Very-high-energy γ -Ray Counterparts to IceCube Astrophysical Neutrino Alerts

The search for sources of high-energy astrophysical neutrinos can be significantly advanced through a multimessenger approach, which seeks to detect the γ-rays that accompany neutrinos as they are produced at their sources. Multimessenger observations have so far provided the first evidence for a neutrino source, illustrated by the joint detection of the flaring blazar TXS 0506+056 in high-energy (E > 1 GeV) and very-high-energy (VHE; E > 100 GeV) γ-rays in coincidence with the high-energy neutrino IceCube-170922A, identified by IceCube. Imaging atmospheric Cherenkov telescopes (IACTs), namely FACT, H.E.S.S., MAGIC, and VERITAS, continue to conduct extensive neutrino target-of-opportunity follow-up programs. These programs have two components: follow-up observations of single astrophysical neutrino candidate events (such as IceCube-170922A), and observation of known γ-ray sources after the identification of a cluster of neutrino events by IceCube. Here we present a comprehensive analysis of follow-up observations of high-energy neutrino events observed by the four IACTs between 2017 September (after the IceCube-170922A event) and 2021 January. Our study found no associations between γ-ray sources and the observed neutrino events. We provide a detailed overview of each neutrino event and its potential counterparts. Furthermore, a joint analysis of all IACT data is included, yielding combined upper limits on the VHE γ-ray flux.

79 ASTRONOMY AND ASTROPHYSICS↗

Observed Land Surface Influence on Atmospheric Heat and Moisture Profiles During Interstorms

Land-atmospheric (L-A) feedbacks have historically been studied using models whose structure and parameterizations influence outcomes and insights. The representation of L-A feedbacks based on observations alone remains an ongoing challenge for understanding boundary layer development and precipitation. To address this gap, we use ground-based passive remote sensing and in-situ observations to present an analysis of the atmosphere during 103 interstorm soil moisture drydown events spanning nine warm seasons (2016–2024) in the U.S. Southern Great Plains region. By separating events based on local L-A coupling signals and characterizing the profiles of atmospheric heat and moisture to surface energy flux behavior, we investigate the physical mechanisms linking land surface processes to boundary layer development. We find that during interstorm drydowns, the atmospheric column follows a consistent pattern: moisture increases within the boundary layer, peaks near its top, and declines rapidly above, while warming occurs through the depth. Drydowns that shift toward evaporation produce stronger and deeper thermodynamic responses than cases dominated by sensible heating, which are weaker and shallower. Additionally, moisture is accumulated faster within the boundary layer during shorter drydowns, with longer drydowns representing slower, moisture-limited growth. Drydowns with wetter initial soil moisture will sustain stronger moistening within and above the boundary layer, accelerating buoyancy growth and convective potential toward the next storm. These results provide observational evidence linking surface flux evolution to boundary layer thermodynamics and offer a process-level benchmark for evaluating coupled L-A representations in models and demonstrating the influence of soil moisture on short-term weather forecasting skill.

Zhang, M. S. [Massachusetts Inst. of Technology (M↗

BEYONDPLANCK II. CMB mapmaking through Gibbs sampling

We present a Gibbs sampling solution to the mapmaking problem for cosmic microwave background (CMB) measurements that builds on existing destriping methodology. Gibbs sampling breaks the computationally heavy destriping problem into two separate steps: noise filtering and map binning. Considered as two separate steps, both are computationally much cheaper than solving the combined problem. This provides a huge performance benefit as compared to traditional methods and it allows us, for the first time, to bring the destriping baseline length to a single sample. Here, we applied the Gibbs procedure to simulated Planck 30 GHz data. We find that gaps in the time-ordered data are handled efficiently by filling them in with simulated noise as part of the Gibbs process. The Gibbs procedure yields a chain of map samples, from which we are able to compute the posterior mean as a best-estimate map. The variation in the chain provides information on the correlated residual noise, without the need to construct a full noise covariance matrix. However, if only a single maximum-likelihood frequency map estimate is required, we find that traditional conjugate gradient solvers converge much faster than a Gibbs sampler in terms of the total number of iterations. The conceptual advantages of the Gibbs sampling approach lies in statistically well-defined error propagation and systematic error correction. This methodology thus forms the conceptual basis for the mapmaking algorithm employed in the BEYONDPLANCK framework, which implements the first end-to-end Bayesian analysis pipeline for CMB observations.

79 ASTRONOMY AND ASTROPHYSICS↗

Improving High Resolution Offshore Wind Resource Assessments and Forecasts using Observations in the MA/RI Lease Areas

The third Wind Forecast Improvement Project (WFIP3) sought to improve understanding of the physical phenomena in the atmosphere and ocean that dictate the structure and variability of wind and thermodynamic fields within the Marine Atmospheric Boundary Layer (MABL). WFIP3 conducted a comprehensive 18-month observational study over the Northeast U.S. outer continental shelf, a high use coastal zone, using a 3-D multiscale sensor array to highly resolve the temporal, vertical, and horizontal structure of the coupled atmospheric and oceanic boundary layers. Multiple land-based study sites adjacent to the coastal ocean observed surface meteorology and vertical profiles of atmospheric properties via passive infrared and microwave radiometers, active lidars and radars, and radiosondes. At sea, an array of surface flux buoys and two vertical profiling lidar buoys observed both atmospheric and oceanic properties, augmented by land-based oceanographic radar systems and routine ship-based surveys. Intensive observations of the MABL over the ocean was done from an air-sea interaction flux tower and extended deployments of a large barge platform. WFIP3 focused on mesoscale and sub-mesoscale flows -- including sea breezes, low-level jets, low-level clouds, and coastal storms -- and the ability of advanced numerical model parameterizations to represent them within fully coupled oceanic and atmospheric modeling systems and foundational weather forecast models. Numerous critical forecasting phenomena were observed, however the project was terminated prior to the completion of the field observational period and the analysis period.

54 ENVIRONMENTAL SCIENCES↗

Development of a heterogeneous nanostructure through abnormal recrystallization of a nanotwinned Ni superalloy

This work explores the development of a heterogeneous nanostructured material through leveraging abnormal recrystallization, which is a prominent phenomenon in coarse-grained Ni-based superalloys. Additionally, through synthesis of a sputtered Inconel 725 film with a heterogeneous distribution of stored energy and subsequent aging treatments at 730°C, a unique combination of grain sizes and morphologies was observed throughout the thickness of the material. Three distinct domains are formed in the aged microstructure, where abnormally large grains are observed in-between a nanocrystalline and a nanotwinned region. In order to investigate the transitions towards a heterogeneous structure, crystallographic orientation and elemental mapping at interval aging times up to 8 h revealed the microstructural evolution and precipitation behavior. From the experimental observations and the detailed analysis of this study, the current methodology can be utilized to further expand the design space of current heterogeneous nanostructured materials.

36 MATERIALS SCIENCE↗

Speeding up and reducing memory usage for scientific machine learning via mixed precision

Scientific machine learning (SciML) has emerged as a versatile approach to address complex computational science and engineering problems. Within this field, physics-informed neural networks (PINNs) and deep operator networks (DeepONets) stand out as the leading techniques for solving partial differential equations by incorporating both physical equations and experimental data. However, training PINNs and DeepONets require significant computational resources, including long computational times and large amounts of memory. In search of computational efficiency, training neural networks using half precision (float16) rather than the conventional single (float32) or double (float64) precision has gained substantial interest, given the inherent benefits of reduced computational time and memory consumed. However, we find that float16 cannot be applied to SciML methods, because of gradient divergence at the start of training, weight updates going to zero, and the inability to converge to a local minima. To overcome these limitations, we explore mixed precision, which is an approach that combines the float16 and float32 numerical formats to reduce memory usage and increase computational speed. Our experiments showcase that mixed precision training not only substantially decreases training times and memory demands but also maintains model accuracy. Here, we also reinforce our empirical observations with a theoretical analysis. The research has broad implications for SciML in various computational applications.

97 MATHEMATICS AND COMPUTING↗

Strong effect of liquid Fe–S on elastic wave velocity of olivine aggregate: Implication for the low velocity anomaly at the base of the lunar mantle

The origin of the seismic low velocity zone (LVZ) observed at the base of the lunar mantle is important for understanding the nature of the lunar mantle. Liquid Fe–S is considered as a possible candidate of the cause of the LVZ. However, effect of liquid Fe–S on elastic wave velocity of mantle rock has been considered to be minor, according to theoretical estimation based on the high dihedral angle of liquid Fe–S in olivine aggregate observed in previous microstructural analysis of polished sample cross sections. Here, in this work, we carry out direct measurements of elastic wave velocities of liquid Fe–S-bearing olivine aggregate and report strong reduction of the elastic wave velocities in the presence of liquid Fe–S. The effects of liquid Fe–S in olivine aggregates are much more pronounced than the theoretical estimation. Three-dimensional X-ray microtomography analysis reveals that the geometry of liquid Fe–S strongly depends on the size, with larger liquid Fe–S blobs having low aspect ratios, which may predominantly affect elastic wave velocity. Since smaller spherical Fe–S blobs are much more abundant than the larger elongated blobs, conventional dihedral angle analyses based on scanning electron microscope images tend to statistically over-sample smaller blobs and under-sample larger blobs. Our results suggest that the LVZ at the base of the lunar mantle can be explained by the presence of 4.3–5.0 vol.% liquid Fe–S. The LVZ may be a hidden reservoir of highly siderophile elements (HSEs), which may explain the low abundance of HSEs in the lunar mantle compared to the Earth.

58 GEOSCIENCES↗

CFD modeling of non-catalytic, partial-oxidation engine reformer for flare mitigation

Flaring associated natural gas is commonly employed in the oil and gas industry to reduce methane (CH 4 ) emissions but generates carbon dioxide (CO 2 ) and harmful pollutants, significantly contributing to air pollution and posing risks to public health. To mitigate this impact, M2X Energy Inc. has developed a small-scale, modular gas-to-methanol system. This system features an engine reformer that performs fuel-rich partial oxidation of wellhead gas to produce syngas—a mixture of carbon monoxide (CO) and hydrogen (H 2 )—followed by a downstream reactor for methanol synthesis. This study focused on computational fluid dynamics (CFD) modeling of the engine reformer to simulate partial oxidation chemistry, predict the rich-burn operating limit, and assess syngas quality, ultimately aiding in design and operational optimization. The CFD model, developed within a Reynolds-Averaged Navier-Stokes (RANS) turbulence framework, incorporated sub-models for turbulent combustion, a chemical mechanism with polycyclic aromatic hydrocarbon (PAH) pathways, and soot emissions to accurately capture the fuel-rich, turbulent jet ignition and combustion processes. Model validation against experimental data showed good agreement across pre- and main-chamber pressures, apparent heat release rates, and exhaust gas concentrations of key species (H 2 , CO, CO 2 , CH 4 ) for varying intake equivalence ratios. Here, the model identified a rich-burn operating limit near a fuel-air equivalence ratio of 2.35, consistent with experimental observations. Furthermore, syngas quality analysis revealed that extending the rich-burn limit through engine reformer optimization could enhance syngas production, contributing to higher methanol synthesis efficiency.

Computational Fluid Dynamics↗

Stochastic room temperature creep of 316 L stainless steel

The creep behavior of 316 L stainless steel at room temperature was evaluated as a function of time and applied stress using a new high-throughput approach. Several common creep models were evaluated against the observations, leading to deeper analysis of a stress-dependent modified logarithmic creep model. Within this model, multiple sources of uncertainty were compared. Aleatoric stochastic variation between samples under nominally identical conditions was identified as the primary contributor to uncertainty in creep response. Under any particular set of conditions, the sample-to-sample variability in creep strain was as high as a factor of two, highlighting the engineering importance of characterizing large statistical datasets. The model's extrapolation capabilities were assessed by comparing predictions derived from calibration on partial, shorter-duration subsets of the data. In conclusion, these findings underscore the importance of accounting for stochastic effects in predictive modeling of aging phenomena.

High-throughput↗

Gas nitriding behavior of refractory metals and implications for multi-principal element alloy design

Multi-principal element alloys (MPEAs) comprise a large, flexible compositional space that enables tuning of their chemistry, structure, and properties. Here, to facilitate the development of nitriding-based surface-enhancement strategies that harness a broad compositional space, this study examined the gas nitriding behavior of Hf, Mo, Nb, Ta, Ti, and Zr as a function of time, temperature (750 and 1000 °C), and nitriding potential (i.e. ammonia-to-hydrogen ratio). These metals were selected because they have a strong driving force to form nitrides, and appear in many promising refractory MPEA compositions. The nitriding temperatures were selected based on the phase transformation temperature of Ti and Zr, and the nitriding potentials were chosen such that all elements are expected to form nitrides. Mass gain measurements indicate that all six elements follow parabolic kinetics. The microstructure observations and quantitative microchemical analysis show formation of dense and well-adhered compound layers for Mo, Nb, and Ta. Thick diffusion zones appear in Hf, Ta, Ti, and Zr, and diffusion coefficients were fit to the composition profiles. Partial delamination of the compound layer occurred for Ti and Zr. Peak hardness values above 30 GPa are obtained in the dense compound layers, and the solute hardening of the underlying alloy is correlated with the nitrogen content. The results provide insight into the dynamics of nitride compound formation relative to interstitial dissolution of nitrogen, and are discussed in the context of MPEA composition and processing design.

36 MATERIALS SCIENCE↗

Oxide-catalyzed self- and cross-condensation of cycloketones. Kinetically relevant steps that determine product distribution

Metal oxides with acid-base properties can be used to catalyze aldol condensation and potentially obtain valuable chemicals from biomass-derived oxygenates. Understanding the reaction mechanisms could enable the development of effective catalysts with controllable selectivity. In this work, we investigate the reaction parameters that affect the kinetics and product distribution of self- and cross-aldol condensation of cyclopentanone (CPO) and cyclohexanone (CHO) over CeO 2 and ZrO 2 catalysts by combining detailed analysis of experiments and DFT calculations. It is well-known that either the deprotonation of an α-C–H that generates an enolate or the C–C coupling that produces the dimers can be rate-limiting step. Indeed, the detailed kinetics analysis shows that the observed data can be fitted by unimolecular or bimolecular Langmuir-Hinshelwood models. Specifically, on the ZrO 2 catalyst, the unimolecular α-C–H activation is the rate limiting step for the CPO self-condensation, while the bimolecular C–C coupling limits the CHO self-condensation. By contrast, on CeO 2 , the bimolecular C–C coupling step seems to be rate-limiting for both CPO and CHO self-condensation reactions. The adsorption parameters derived from kinetics fitting indicate that when the two reactants are co-fed, the surface is preferentially covered by CHO. So, the condensation rate of [CPO]-activated products ([CPO]CPO + [CPO]CHO) decreases in the presence of CHO, due to the competitive adsorption. However, despite a higher surface coverage, CHO is not an effective electrophile because it imposes stronger steric constraints to the formation of the C–C bond than CPO. Therefore, for a given enolate, the product distribution shows that [CPO]CPO > [CPO]CHO and, similarly [CHO]CPO > [CHO]CHO. Likewise, the yields of [CPO]- and [CHO]-activated products in mixed CPO/CHO feeds are similar because the higher surface coverage and stability of the [CHO] enolate is counterbalanced by the inhibition of C–C coupling by steric constraints when CHO is involved. In summary, the overall rank of products observed experimentally can be explained in terms of a combination of the following effects: relative surface coverage of the reactants, steric constraints for the C–C coupling, stability of the enolate, and effectiveness of the electrophile to accept an electron.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evaluating the effect of meso/submesoscale current–wave interactions on wave energy resource characterization at northeast U.S. coast

Wave energy is a promising renewable resource, but accurate assessment is difficult in regions with strong currents due to wave–current interactions (WCI). Here, this study develops a two-way coupled WCI model within the Coupled Ocean Atmosphere Wave Sediment Transport (COAWST) framework at 2 km resolution to improve wave energy characterization along the northeastern U.S. coast, including the Mid-Atlantic Bight and Gulf of Maine. The model integrates WaveWatchIII (WWIII) and the Regional Ocean Modeling System (ROMS) to enhance wave hindcasting by accounting for Doppler-shift, refraction, and nonlinear energy exchanges. Validation against buoy and satellite observations confirms model accuracy. Analysis shows that Doppler-shifting can alter wave power density by over 20%, while strong current gradients and shear distort wave crests via focusing/defocusing and stretching/squeezing, modifying wave direction and frequency. These processes together can induce wave power fluctuations of up to 40% on synoptic scales. Applying a 2.5 MW Ocean Energy Converter power matrix shows that WCI may change harvested energy by up to 100% in shallow-waters and 60% in deep-waters. These results underscore the importance of incorporating nonlinear WCI for reliable wave climate predictions and resource assessments in energetic coastal regions.

doppler-shift↗

Database-wide hazard modelling of the onset of DIII-D tearing modes with field features

The rate of onset (hazard) of tearing modes is modelled probabilistically using statistical learning algorithms. Axisymmetric energy-density equilibrium fields are taken as raw high-dimensional input features which are reduced with principal component analysis. Signal processing of non-axisymmetric magnetics fluctuation array data provides the target information from which to learn. Model selection, visualization and calibration assessment procedures are detailed. Here, the analysis is deployed at large scale across the DIII-D tokamak database. Standard model selection criteria suggest that the energy-density post-processed feature is a better choice for modelling the onset rate compared to the non-processed equilibrium reconstruction solution. Two example applications of the learned rate function are demonstrated: (i) proximity-to-onset discharge monitoring and (ii) database analysis showing an (expected) observational global trend that the general hazard increases as a plasma performance metric increases. An important connection between the hazard function and its use as a conditional probability generator is reviewed in the Appendix.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Strong, Nonresonant Radiation Enhances Cis–Trans Photoisomerization of Stilbene in Solution

Previously, it has been demonstrated that external electric fields may be used to exert control over chemical reactivity. In this paper, the impact of a strong, nonresonant IR field (1064 nm) on the photoisomerization of cis-stilbene is investigated in cyclohexane solution. The design of a suitable reaction vessel for characterization of this effect is presented. The electric field supplied by the pulsed, near-IR radiation (ε 1 = 4.5 × 10 7 V/cm) enhances the cis → trans photoisomerization yield at the red edge of the absorption spectrum (wavelengths between 337 and 340 nm). Within the microliter focal volume, up to 75% of all cis-stilbene molecules undergo isomerization to trans-stilbene in the strong electric-field environment, indicating a significant increase relative to the 35% yield of trans-stilbene under field-free conditions. This result correlates with a 1–3% enhancement in the trans-stilbene concentration throughout the bulk solution. Theoretical analysis suggests that the observed change is the result of dynamic Stark shifting of the ground and first excited states, leading to a significant redshift in cis-stilbene’s absorption spectrum. The predicted increase in the absorption cross section in this range of excitation wavelengths is qualitatively consistent with the experimental increase in trans-stilbene production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Exploring Excited State Proton Transfer Dynamics upon Ultraviolet Excitation

Excited state intramolecular proton transfer (ESIPT) has been investigated in two prototypical systems─salicylaldehyde azine (SAA) and 1,5-dihydroxyanthraquinone (DHAQ)─using transient absorption spectroscopy upon ultraviolet excitation into the less studied higher excited (S n ) manifold. Excitation with sub-30 fs pulses and broadband visible probing has allowed for direct measurement of the ESIPT rate. In conjunction with steady-state measurements and TD-DFT calculations, a complete delineation of the ultrafast photophysics has been carried out. In SAA, ESIPT remains ultrafast (∼30 fs), consistent with previous S 1 excitation studies. Coherent vibrational beats maps reveal significant wavelength dependence, however. Theoretical analysis suggests that the observed modes and their intensities in coherent vibrational spectra are modulated by the nature of the electronically excited state. In DHAQ, the first direct observation of ESIPT presents a time-constant of ∼85 fs, and a slower component of 9 ps, akin to previous reports on double-proton transfer systems. Collectively, the results suggest that while the ultrafast ESIPT rate remains largely invariant vis-à-vis the excitation energy, the product yield, as well as accompanying coherent oscillations, may be substantively altered, owing to the existence of alternative decay pathways.

excited states↗

Imaging Anisotropic Waveguide Exciton Polaritons in Tin Sulfide

In recent years, novel materials supporting in-plane anisotropic polaritons have attracted a great deal of research interest due to their capability of shaping nanoscale field distributions and controlling nanophotonic energy flows. Here we report a nano-optical imaging study of waveguide exciton polaritons (EPs) in tin sulfide (SnS) in the near-infrared (near-IR) region using scattering-type scanning near-field optical microscopy (s-SNOM). With s-SNOM, we mapped in real space the propagative EPs in SnS, which show sensitive dependence on the excitation energy and sample thickness. Moreover, we found that both the polariton wavelength and propagation length are anisotropic in the sample plane. In particular, in a narrow spectral range from 1.32 to 1.44 eV, the EPs demonstrate quasi-one-dimensional propagation, which is rarely seen in natural polaritonic materials. Here, a further analysis indicates that the observed polariton anisotropy originates from the different optical band gaps and exciton binding energies along the two principal crystal axes of SnS.

77 NANOSCIENCE AND NANOTECHNOLOGY↗