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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 163 records · Page 9

Efficiently predicting pressure-composition-temperature diagrams to discover low-stability metal hydrides

Quantitatively accurate computational predictions of metal hydride thermodynamics are challenging but critical for alloy performance optimization across a multitude of technological domains, including hydrogen storage, compression, purification, and getters. Recent machine learning approaches have demonstrated great success in this area, but can potentially suffer from several shortcomings since they rely on imbalanced experimental training data and can have poor out-of-distribution (ood) test performance. Here, in this study, we circumvent such pitfalls by developing a computationally efficient, first principles-based workflow for direct prediction of metal hydride phase equilibrium, i.e., the pressure-composition-temperature (PCT) diagram. We then demonstrate its utility on predicting low stability hydrides derived from compositionally complex C14 Laves phase AB2 alloys. Specifically, we computationally predict and then experimentally validate an AB 2 alloy series (z < 0.6 for Ti 2−z Zr z CrMnFeNi) with ideal hydriding thermodynamics for a two-stage metal hydride-based compressor for pressurizing boil off from liquefied hydrogen. Importantly, this study lays the groundwork for accurate and efficient discovery/optimization of ood, low-stability hydrides for which purely data-driven approaches lack sufficient accuracy.

08 HYDROGEN↗

Discovering strongly lensed quasar candidates with catalogue-based methods from DESI Legacy Surveys

The Hubble tension, revealed by a ~5σ discrepancy between measurements of the Hubble-Lemaitre constant among observations of the early and local Universe, is one of the most significant problems in modern cosmology. In order to better understand the origin of this mismatch, independent techniques to measure H 0 , such as strong lensing time delays, are required. Notably, the sample size of such systems is key to minimising the statistical uncertainties and cosmic variance, which can be improved by exploring the datasets of large-scale sky surveys such as Dark Energy Spectroscopic Instrument (DESI). We identify possible strong lensing time-delay systems within DESI by selecting candidate multiply imaged lensed quasars from a catalogue of 24 440 816 candidate QSOs contained in the ninth data release of the DESI Legacy Imaging Surveys (DESI-LS). Using a friend-of-friends-like algorithm on spatial co-ordinates, our method generates an initial list of compact quasar groups. This list is subsequently filtered using a measure of the similarity of colours among a group’s members and the likelihood that they are quasars. A visual inspection finally selects candidate strong lensing systems based on the spatial configuration of the group members. We identified 620 new candidate multiply imaged lensed quasars (101 grade-A, 214 grade-B, 305 grade-C). This number excludes 53 known spectroscopically confirmed systems and existing candidate systems identified in other similar catalogues. When available, these new candidates will be further checked by combining the spectroscopic and photometric data from DESI.

79 ASTRONOMY AND ASTROPHYSICS↗

Nine lensed quasars and quasar pairs discovered through spatially extended variability in Pan-STARRS

We present the proof of concept of a method for finding strongly lensed quasars using their spatially extended photometric variability through difference imaging in cadenced imaging survey data. We applied the method to Pan-STARRS, starting with an initial selection of 14 107Gaiamultiplets with quasar-like infrared colours from WISE. We identified 229 candidates showing notable spatially extended variability during the Pan-STARRS survey period. These include 20 known lenses and an additional 12 promising candidates for which we obtained long-slit spectroscopy follow-up. This process resulted in the confirmation of four doubly lensed quasars, four unclassified quasar pairs, and one projected quasar pair. Only three are pairs of stars or quasar+star projections. The false-positive rate accordingly is 25%. The lens separations are between 0.81″ and 1.24″, and the source redshifts lie betweenz = 1.47 andz = 2.46. Three of the unclassified quasar pairs are promising dual-quasar candidates with separations ranging from 6.6 to 9.3 kpc. We expect that this technique is a particularly efficient way to select lensed variables in the upcomingRubin-LSST, which will be crucial given the expected limitations for spectroscopic follow-up.

Astronomy & Astrophysics↗

Discovering invariant spatial features in electron energy loss spectroscopy images on the mesoscopic and atomic levels

Over the last two decades, Electron Energy Loss Spectroscopy (EELS) imaging with a scanning transmission electron microscope has emerged as a technique of choice for visualizing complex chemical, electronic, plasmonic, and phononic phenomena in complex materials and structures. The availability of the EELS data necessitates the development of methods to analyze multidimensional data sets with complex spatial and energy structures. Traditionally, the analysis of these data sets has been based on analysis of individual spectra, one at a time, whereas the spatial structure and correlations between individual spatial pixels containing the relevant information of the physics of underpinning processes have generally been ignored and analyzed only via the visualization as 2D maps. Here, we develop a machine learning-based approach and workflows for the analysis of spatial structures in 3D EELS data sets using a combination of dimensionality reduction and multichannel rotationally invariant variational autoencoders. This approach is illustrated for the analysis of both the plasmonic phenomena in a system of nanowires and in the core excitations in functional oxides using low loss and core-loss EELS, respectively. The code developed in this manuscript is open sourced and freely available and provided as a Jupyter notebook for the interested reader.

36 MATERIALS SCIENCE↗

Discovering Active Subspaces for High-Dimensional Computer Models

Dimension reduction techniques have long been an important topic in statistics, and active subspaces (AS) have received much attention this past decade in the computer experiments literature. The most common approach towards estimating the AS is to use Monte Carlo with numerical gradient evaluation. While sensible in some settings, this approach has obvious drawbacks. Recent research has demonstrated that active subspace calculations can be obtained in closed form, conditional on a Gaussian process (GP) surrogate, which can be limiting in high-dimensional settings for computational reasons. In this paper, we produce the relevant calculations for a more general case when the model of interest is a linear combination of tensor products. These general equations can be applied to the GP, recovering previous results as a special case, or applied to the models constructed by other regression techniques including multivariate adaptive regression splines (MARS). Furthermore, using a MARS surrogate has many advantages including improved scaling, better estimation of active subspaces in high dimensions and the ability to handle a large number of prior distributions in closed form. In one real-world example, we obtain the active subspace of a radiation-transport code with 240 inputs and 9,372 model runs in under half an hour.

97 MATHEMATICS AND COMPUTING↗

Discovering mechanisms for materials microstructure optimization via reinforcement learning of a generative model

Abstract The design of materials structure for optimizing functional properties and potentially, the discovery of novel behaviors is a keystone problem in materials science. In many cases microstructural models underpinning materials functionality are available and well understood. However, optimization of average properties via microstructural engineering often leads to combinatorically intractable problems. Here, we explore the use of the reinforcement learning (RL) for microstructure optimization targeting the discovery of the physical mechanisms behind enhanced functionalities. We illustrate that RL can provide insights into the mechanisms driving properties of interest in a 2D discrete Landau ferroelectrics simulator. Intriguingly, we find that non-trivial phenomena emerge if the rewards are assigned to favor physically impossible tasks, which we illustrate through rewarding RL agents to rotate polarization vectors to energetically unfavorable positions. We further find that strategies to induce polarization curl can be non-intuitive, based on analysis of learned agent policies. This study suggests that RL is a promising machine learning method for material design optimization tasks, and for better understanding the dynamics of microstructural simulations.

36 MATERIALS SCIENCE↗

Discovering vanishing objects in POSS I red images using the Virtual Observatory

ABSTRACT In this paper, we report a search for vanishing sources in POSS I red images using virtual observatory (VO) archives, tools, and services. The search, conducted in the framework of the VASCO project, aims at finding POSS I (red) sources not present in recent catalogues like Pan-STARRS DR2 (limiting magnitude r = 21.4) or Gaia EDR3 (limiting magnitude G = 21). We found 298 165 sources visible only in POSS I plates, out of which 288 770 had a cross-match within 5 arcsec in other archives (mainly in the infrared), 189 were classified as asteroids, 35 as variable objects, 3592 as artefacts from the comparison to a second digitization (Supercosmos), and 180 as high proper motion objects without information on proper motion in Gaia EDR3. The remaining unidentified transients (5399) as well as the 172 163 sources not detected in the optical but identified in the infrared regime are available from a VO compliant archive and can be of interest in searches for strong M-dwarf flares, high-redshift supernovae, asteroids, or other categories of unidentified red transients. No point sources were detected by both POSS-I and POSS-II before vanishing, setting the rate of failed supernovae in the Milky Way during 70 yr to less than one in one billion.

Solano, Enrique↗

Discovering faint and high apparent motion rate near-Earth asteroids using a deep learning program

ABSTRACT Although many near-Earth objects have been found by ground-based telescopes, some fast-moving ones, especially those near detection limits, have been missed by observatories. We developed a convolutional neural network for detecting faint fast-moving near-Earth objects. It was trained with artificial streaks generated from simulations and was able to find these asteroid streaks with an accuracy of 98.7 per cent and a false positive rate of 0.02 per cent on simulated data. This program was used to search image data from the Zwicky Transient Facility (ZTF) in four nights in 2019, and it identified six previously undiscovered asteroids. The visual magnitudes of our detections range from ∼19.0 to 20.3 and motion rates range from ∼6.8 to 24 deg d−1, which is very faint compared to other ZTF detections moving at similar motion rates. Our asteroids are also ∼1–51 m diameter in size and ∼5–60 lunar distances away at close approach, assuming their albedo values follow the albedo distribution function of known asteroids. The use of a purely simulated data set to train our model enables the program to gain sensitivity in detecting faint and fast-moving objects while still being able to recover nearly all discoveries made by previously designed neural networks which used real detections to train neural networks. Our approach can be adopted by any observatory for detecting fast-moving asteroid streaks.

Wang, Franklin (ORCID:0000000344887355)↗

Pegasus V/Andromeda XXXIV–a newly discovered ultrafaint dwarf galaxy on the outskirts of Andromeda

ABSTRACT We report the discovery of an ultrafaint dwarf in the constellation of Pegasus. Pegasus V (Peg V)/Andromeda XXXIV was initially identified in the public imaging data release of the DESI Legacy Imaging Surveys and confirmed with deep imaging from Gemini/GMOS-N. The colour–magnitude diagram shows a sparse red giant branch (RGB) population and a strong overdensity of blue horizontal branch stars. We measure a distance to Peg V of $D=692^{+33}_{-31}$ kpc, making it a distant satellite of Andromeda with MV = −6.3 ± 0.2 and a half-light radius of rhalf = 89 ± 41 pc. It is located ∼260 kpc from Andromeda in the outskirts of its halo. The RGB is well fitted by a metal-poor isochrone with [Fe/H] = −3.2, suggesting it is very metal poor. This, combined with its blue horizontal branch, could imply that it is a reionization fossil. This is the first detection of an ultrafaint dwarf outside the deep Pan-Andromeda Archaeological Survey area, and points to a rich, faint satellite population in the outskirts of our nearest neighbour.

79 ASTRONOMY AND ASTROPHYSICS↗

Remarkably High Internal Transcribed Spacer Haplotype Diversity of the Fungal Select Agent Coniothyrium glycines Discovered Throughout Its Range in Sub-Saharan Africa

Red leaf blotch of soybean, caused by the fungus Coniothyrium glycines, is a foliar disease characterized by blotching, necrosis, and defoliation that has only been reported from Africa. The species is listed as a Select Agent by the Federal Select Agent Program due to its potentially devastating impacts to soybean production should it spread to the United States. Despite its potential import, very few isolates are available for study. Herein, we obtained 96 new C. glycines isolates from six soybean-producing countries throughout sub-Saharan Africa. Along with 12 previously collected ones, we sequenced each at the internal transcribed spacer (ITS) region. Between all isolates, we identified a total of 28 single-nucleotide polymorphisms and 23 haplotypes. One hypothesis to explain the tremendous diversity uncovered at the ITS—which is generally conserved within a species—is that our current species concept of C. glycines is too broad and that there may be multiple species that cause red leaf blotch. Zambia contained the highest haplotype diversity, a significant fraction of which remains unsampled. Most haplotypes were specific to a single country, except for two, which were found in Zambia and either neighboring Mozambique or Zimbabwe. This geographic specificity indicates that the ITS region may be useful for identifying source populations or routes of transmission should this pathogen spread beyond Africa. The observed geographic partitioning of this pathogen is likely the result of millions of years of replication on little-studied native hosts, given that soybean has only been cultivated in Africa since the early 1900s.

Plant Sciences↗

CTA and SWGO can discover Higgsino dark matter annihilation

Thermal Higgsino dark matter (DM), with a mass near 1.1 TeV, is one of the most well-motivated and untested DM candidates. Leveraging recent hydrodynamic cosmological simulations that give DM density profiles in Milky Way analog galaxies we show that the linelike gamma-ray signal predicted from Higgsino annihilation in the Galactic Center could be detected at high significance with the upcoming Cherenkov Telescope Array (CTA) and Southern Wide-field Gamma-ray Observatory (SWGO) for all but the most pessimistic DM profiles. We perform the most sensitive search to-date for the linelike signal using 15 years of data from the Fermi Large Area Telescope, coming within an order one factor of the necessary sensitivity to detect the Higgsino for some Milky Way analog DM density profiles. We show that H.E.S.S. has subleading sensitivity relative to Fermi for the Higgsino at present. In contrast, we analyze H.E.S.S. inner Galaxy data for the thermal wino model with a mass near 2.8 TeV; we find no evidence for a DM signal and exclude the wino by over a factor of two in cross section for all DM profiles considered. In the process, we identify and attempt to correct what appears to be an inconsistency in previous H.E.S.S. inner Galaxy analyses for DM annihilation related to the analysis effective area, which may weaken the DM cross-section sensitivity claimed in those works by around an order of magnitude.

79 ASTRONOMY AND ASTROPHYSICS↗

Discovering neutrino tridents at the Large Hadron Collider

Neutrino trident production of dilepton pairs is well recognized as a sensitive probe of both electroweak physics and physics beyond the Standard Model. Although a rare process, it could be significantly boosted by such new physics, and it also allows the electroweak theory to be tested in a new regime. We demonstrate that the forward neutrino physics program at the Large Hadron Collider offers a promising opportunity to measure for the first time, dimuon neutrino tridents with a statistical significance exceeding 5 σ , improving on the previous claims at the ∼ 3 σ level by the CHARM-II and CCFR collaborations while accounting for additional backgrounds later identified by the NuTeV collaboration. We present predictions for various proposed experiments and outline a specific experimental strategy to identify the signal and mitigate backgrounds, based on “reverse tracking” dimuon pairs in the FASER ν 2 detector. We also discuss prospects for constraining beyond Standard Model contributions to neutrino trident rates at high energies. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Discovering Electroweak Interacting Dark Matter at Muon Colliders Using Soft Tracks

Minimal dark matter models feature one neutral particle that serves as a thermal relic dark matter candidate, as well as quasidegenerate charged states with TeV masses. When the charged states are produced at colliders, they can decay into dark matter and a low-momentum (soft) charged particle, which is challenging to reconstruct at hadron colliders. We demonstrate that a 3 TeV muon collider is capable of detecting these soft tracks, enabling the discovery of thermal Higgsinos and similar dark matter candidates that constitute highly motivated scenarios for future collider searches. Published by the American Physical Society 2025

Capdevilla, Rodolfo (ORCID:0000000201227704)↗

Statistics on magnetic properties of Co compounds: A database-driven method for discovering Co-based ferromagnets

The search for new ferromagnetic compounds is often targeted at known structure families, particularly those containing iron, cobalt, and manganese. Here, we propose a method to expand this search to lesser-known structure types, using a database of experimental Curie and Néel temperatures. This study, in particular, illustrates the case of compounds containing the element cobalt, and we demonstrate how the use of such a database can lead to the discovery of ferromagnetic materials that had previously been overlooked. We report statistics from a literature survey of the magnetic properties of Co-based compounds with more than 33 at. % Co. We classify more than 13 000 compounds by structure type, cobalt content, and magnetic ground state. From these data, compounds TaCo 2 Ga, La 6 Co 13 Bi, and Nd 2 Co 3 were identified as potential ferromagnets, and we confirm their ferromagnetic ordering theoretically via first-principles calculations and experimentally via synthesis and characterization measurements. In addition, the analysis is focused on the collection of data trends and discovery of ferromagnetic materials with easy-axis magnetic anisotropy. Both known ferromagnetic materials with unknown magnetic anisotropy, and unstudied compounds were considered. From the subset of known ferromagnets with unknown anisotropy, the compound Co 2 Mg was synthesized, characterized, and determined to have easy-axis magnetic anisotropy at room temperature.

36 MATERIALS SCIENCE↗