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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Avoiding Excess Computation in Asynchronous Evolutionary Algorithms

Asynchronous evolutionary algorithms are becoming increasingly popular as a means of making full use of many processors while solving computationally expensive search and optimization problems. These algorithms excel at keeping large clusters fully utilized, but may sometimes inefficiently sample an excess of fast-evaluating solutions at the expense of higher-quality, slow-evaluating ones. We introduce a steady-state parent selection strategy, SWEET (“Selection whilE EvaluaTing”), that sometimes selects individuals that are still being evaluated and allows them to reproduce early. This gives slow-evaluating individuals that have higher fitnesses an increased ability to multiply in the population. We find that SWEET appears effective in simulated take-over time analysis, but that its benefit is confined mostly to early in the run, and our preliminary study on an autonomous vehicle controller problem that involves tuning a spiking neural network proves inconclusive.

Scott, Eric↗
DOE OSTI2025

Electrolytic gold plating, stripping, and ion transport dynamics through a solid-state iodide perovskite

The pronounced electrochemical reactivity between halide perovskites and metal electrodes can introduce mobile extrinsic metal ions which can cause device instability or enable novel functionalities. Here we systematically investigate the kinetics of gold cation (Au + ) migration in indium tin oxide (ITO)/methylammonium lead triiodide (MAPbI 3 )/Au model devices under long-term potentiostatic biasing. Scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and density functional theory (DFT) analyses reveal that Au + ions, electrochemically generated at the Au anode, traverse the perovskite layer with diffusion coefficients on the order of 10 −11 to 10 −10 cm 2 s −1 and are subsequently reduced at the cathode as Au 0 clusters, resembling metal plating behavior in electrolytic cells and solid-state batteries during charging. Furthermore, reversing the applied bias strips the plated Au 0 , revealing reversibility suitable for bipolar resistive switching devices and providing direct evidence of the electrochemical and ionic nature of Au transport within the perovskite matrix. Quantitatively determining diffusion coefficients and ion concentrations provides foundational inputs for future drift-diffusion modelling opportunities and allows us to relate our findings to implications on long term operation of devices like photovoltaic modules. These results clearly demonstrate the solid-state electrochemical nature of perovskite devices, highlight methods to be more quantitative about ion transport properties, provide and emphasize the importance of disentangling electro-, photo-, photoelectrochemical processes for understanding device performance and unlocking new functionalities.

14 SOLAR ENERGY↗
DOE OSTI2024

A comparison of compact, presumably young with extended, evolved radio active galactic nuclei

Context.The triggering and evolution of active galactic nuclei (AGNs) and the interaction of the AGN with its host galaxy is an important topic in extragalactic astrophysics. Radio sources with peaked spectra (peaked spectrum sources, PSS) and compact symmetric objects (CSO) are powerful, compact, and presumably young AGNs and therefore particularly suitable to study aspects of the AGN-host connection. Aims.We use a statistical approach to investigate properties of a PSS-CSO sample that are related to host galaxies and could potentially shed light on the link between host galaxies and AGNs. The main goal is to compare the PSS-CSO sample with a matching comparison sample of extended sources (ECS) to see if the two have significant differences. Methods.We analysed composite spectra, diagnostic line diagrams, multi-band spectral energy distributions (MBSEDs), star formation (SF) indicators, morphologies, and cluster environments for a sample of 121 PSSs and CSOs for which spectra are available from the Sloan Digital Sky Survey (SDSS). The statistical results were compared with those of the ECS sample, where we generally considered the two subsamples of quasi-stellar objects (QSOs) and radio galaxies separately. The analysis is based on a large set of archival data in the spectral range from the ultraviolet to mid-infrared. Results.We find significant differences between the PSS-CSO and the ECS sample. In particular, we find that the ECS sample has a higher proportion of passive galaxies with a lower star formation activity. This applies to both sub-samples (QSOs or radio galaxies) as well as to the entire sample. The star formation rates of the PSS-CSO host galaxies with available data are typically in the range ∼0 to 5 ℳ ⊙ yr −1 , and the stellar masses are in the range 3 × 10 11 to 10 12 ℳ ⊙ . Secondly, in agreement with previous results, we find a remarkably high proportion of PSS-CSO host galaxies with merger signatures. The merger fraction of the PSS-CSO sample is 0.61 ± 0.07, which is significantly higher than that of the comparison sample (0.15 ± 0.06). We suggest that this difference can be explained by assuming that the majority of the PSSs and CSOs cannot evolve to extended radio sources and are therefore not represented in our comparison sample.

Astronomy & Astrophysics↗
DOE OSTI2025

Instability of steady-state mixed-state symmetry-protected topological order to strong-to-weak spontaneous symmetry breaking

Recent experimental progress in controlling open quantum systems enables the pursuit of mixed-state nonequilibrium quantum phases. We investigate whether open quantum systems hosting mixed-state symmetry-protected topological states as steady states retain this property under symmetric perturbations. Focusing on the decohered cluster state – a mixed-state symmetry-protected topological state protected by a combined strong and weak symmetry – we construct a parent Lindbladian that hosts it as a steady state. This Lindbladian can be mapped onto exactly solvable reaction-diffusion dynamics, even in the presence of certain perturbations, allowing us to solve the parent Lindbladian in detail and reveal previously-unknown steady states. Using both analytical and numerical methods, we find that typical symmetric perturbations cause strong-to-weak spontaneous symmetry breaking at arbitrarily small perturbations, destabilize the steady-state mixed-state symmetry-protected topological order. However, when perturbations introduce only weak symmetry defects, the steady-state mixed-state symmetry-protected topological order remains stable. Additionally, we construct a quantum channel which replicates the essential physics of the Lindbladian and can be efficiently simulated using only Clifford gates, Pauli measurements, and feedback.

Shah, Jeet [University of Maryland, College Park, ↗
NASA NTRS1994

Ultraviolet observations of galaxies with the FAUST experiment

We have used the set of point sources detected by the Far Ultraviolet Space Telescope (FAUST) instrument to identify galaxies and study the total galaxy flux in a 250 A wide band peaking at 1650 A. A sample of 144 galaxies has been obtained after cross-reference with the RC3 catalog, elimination of objects confused with stars and various corrections for the photometry. The UV-B color dispersion is found to increase while the galaxies get redder from late to early types. The irregular galaxies appear on average redder and the Sbc galaxies bluer than indicated by the spectral energy distributions currently used for the calculations of K-corrections. Various arguments lead us to make the assumption of a constant dust extinction within each galaxy. The UV flux per unit area decreases on average from late to early type spirals. We find a weak correlation between the UV and far infra-red emission while the infra-red to UV flux ratio gets lower when galaxies get bluer (as measured by the UV to B flux ratio). The UV flux per unit area correlates with the HI gas surface density and the total gas surface density when this quantity is available. The correlation with the molecular gas alone is weak. In the Virgo cluster, the UV flux per unit area does not decrease in direct proportion to the HI deficiency. Galaxy counts per square degree and per magnitude interval have been obtained at high-galactic latitudes. Combined with data at fainter magnitudes, they show a variation as a function of magnitude with a near-euclidean slope over a range of 8 magnitudes.

Deharveng, J.-M.↗
NASA NTRS2023

Using Regionalized Air Quality Model Performance and Bayesian Maximum Entropy Data Fusion to Map Global Surface Ozone Concentration and Associated Uncertainty

Estimates of ground-level ozone concentrations have been improved through data fusion of observations and atmospheric chemistry models. Our previous global ozone estimates for the Global Burden of Disease study corrected for bias uniformly across continents and then corrected near monitoring stations using the Bayesian Maximum Entropy (BME) framework for data fusion. Here, we use the Regionalized Air Quality Model Performance (RAMP) framework to correct model bias over a much larger spatial range than BME can, accounting for the spatial inhomogeneity of bias and nonlinearity as a function of modeled ozone. RAMP bias correction is applied to a composite of 9 global chemistry-climate models, based on the nearest set of monitors. These estimates are then fused with observations using BME, which matches observations at measurement stations, with the influence of observations declining with distance in space and time. We create global ozone maps for each year from 1990 to 2017 at fine spatial resolution. RAMP is shown to create unrealistic discontinuities due to the spatial clustering of ozone monitors, which we overcome by applying a weighting for RAMP based on the number of monitors nearby. Incorporating RAMP before BME has little effect on model performance near stations, but strongly increases R 2 by 0.15 at locations farther from stations, shown through a checkerboard cross-validation. Corrections to estimates differ based on location in space and time, confirming heterogeneity. We quantify the likelihood of exceeding selected ozone levels, finding that parts of the Middle East, India, and China are most likely to exceed 55 parts per billion (ppb) in 2017. About 96% of the global population was exposed to ozone levels above the World Health Organization guideline of 60 µg m −3 (30 ppb) in 2017. Our annual fine-resolution ozone estimates may be useful for several applications including epidemiology and assessments of impacts on health, agriculture, and ecosystems.

Ozone↗
DOE OSTI2022

SDSS-IV MaNGA: Cannibalism Caught in the Act—On the Frequency of Occurrence of Multiple Cores in Brightest Cluster Galaxies

Although it is generally accepted that massive galaxies form in a two-phased fashion, beginning with a rapid mass buildup through intense starburst activities followed by primarily dry mergers that mainly deposit stellar mass at outskirts, the late time stellar mass growth of brightest cluster galaxies (BCGs), the most massive galaxies in the universe, is still not well understood. Several independent measurements have indicated a slower mass growth rate than predictions from theoretical models. We attempt to resolve the discrepancy by measuring the frequency of BCGs with multiple cores, which serve as a proxy of the merger rates in the central region and facilitate a more direct comparison with theoretical predictions. Using 79 BCGs at z = 0.06–0.15 with integral field spectroscopic data from the Mapping Nearby Galaxies at Apache Point Observatory (MaNGA) project, we obtain a multiple-core fraction of 0.11 ± 0.04 at z ≈ 0.1 within an 18 kpc radius from the center, which is comparable to the value of 0.08 ± 0.04 derived from mock observations of 218 simulated BCGs from the cosmological hydrodynamical simulation IllustrisTNG. We find that most cores that appear close to the BCGs from imaging data turn out to be physically associated systems. Anchoring on the similarity in the multiple-core frequency between the MaNGA and IllustrisTNG, we discuss the mass growth rate of BCGs over the past 4.5 Gyr.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Structural characterization of an intrinsically disordered protein complex using integrated small-angle neutron scattering and computing

Characterizing structural ensembles of intrinsically disordered proteins (IDPs) and intrinsically disordered regions (IDRs) of proteins is essential for studying structure–function relationships. Due to the different neutron scattering lengths of hydrogen and deuterium, selective labeling and contrast matching in small-angle neutron scattering (SANS) becomes an effective tool to study dynamic structures of disordered systems. However, experimental timescales typically capture measurements averaged over multiple conformations, leaving complex SANS data for disentanglement. We hereby demonstrate an integrated method to elucidate the structural ensemble of a complex formed by two IDRs. We use data from both full contrast and contrast matching with residue-specific deuterium labeling SANS experiments, microsecond all-atom molecular dynamics (MD) simulations with four molecular mechanics force fields, and an autoencoder-based deep learning (DL) algorithm. From our combined approach, we show that selective deuteration provides additional information that helps characterize structural ensembles. We find that among the four force fields, a99SB-disp and CHARMM36m show the strongest agreement with SANS and NMR experiments. In addition, our DL algorithm not only complements conventional structural analysis methods but also successfully differentiates NMR and MD structures which are indistinguishable on the free energy surface. Finally, we present an ensemble that describes experimental SANS and NMR data better than MD ensembles generated by one single force field and reveal three clusters of distinct conformations. Our results demonstrate a new integrated approach for characterizing structural ensembles of IDPs.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Life cycle assessment of a novel gas switching reforming for sustainable hydrogen production with CO2 capture

Gas switching reforming for hydrogen production (GSR-H2) presents an efficient, low-carbon hydrogen production method that incorporates integrated carbon capture, offering efficiency gains over traditional methods such as proton exchange membrane (PEM) electrolysis, steam methane reforming (SMR) and the newer method of chemical looping reforming (CLR). GSR-H2 has been demonstrated in lab scale which operates as an exothermic process that eliminates the need for additional natural gas combustion, using its own waste heat to generate process steam and partially offset energy usage through electricity production. Beyond its thermal self-sufficiency, GSR-H2 advances upon CLR by integrating all reaction stages within a single reactor cluster, eliminating the complexities of solid circulation, reducing capital costs, and enhancing overall process efficiency. This streamlined design simplifies scale-up and enables inherent CO2 separation with minimal energy penalty, making GSR-H2 a highly competitive pathway for low-carbon hydrogen production. This study presents the first life cycle assessment (LCA) of GSR-H2, offering a novel evaluation of this new process’s environmental impacts across diverse energy scenarios. Key findings reveal that in the renewables-powered scenario, GSR-H2 achieves a GWP of 2.77 kg CO2 eq per kg H2, a substantial improvement over SMR’s 10.4 kg CO2 eq and close to the low emissions of CLR (1.84 kg CO2 eq) and PEM electrolysis (1.85 kg CO2 eq). These results demonstrate GSR-H2’s competitive advantage as a lower-emission alternative, combining design simplicity and efficiency gains, especially in renewable-integrated systems. These results establish GSR-H2 as a competitive, scalable option for hydrogen production, particularly in decarbonization efforts.

03 NATURAL GAS↗
DOE OSTI2022

Particle anisotropy tunes emergent behavior in active colloidal systems

Studies of active particle systems have demonstrated that particle anisotropy can impact the collective behavior of a system, motivating a systematic study. Here, we report a systematic computational investigation of the role of anisotropy in shape and active force director on the collective behavior of a two-dimensional active colloidal system. We find that shape and force anisotropy can combine to produce critical densities both lower and higher than those of disks. Furthermore, we demonstrate that changing particle anisotropy tunes what we define as a “collision efficiency” of inter-particle collisions in leading to motility-induced phase separation (MIPS) of the system. We use this efficiency to determine the relative critical density across systems. Additionally, we observe that local structure in phase-separated clusters is the same as the particle's equilibrium densest packing, suggesting a general connection between equilibrium behavior and non-equilibrium cluster structure of self-propelled anisotropic particles. In engineering applications for active colloidal systems, shape-controlled steric interactions such as those described here may offer a simple route for tailoring emergent behaviors.

42 ENGINEERING↗
DOE OSTI2026

Axion lines from nuclear de-excitations in galactic stellar populations

We show that mono-energetic axions are produced in abundance through nuclear de-excitations in nearby galaxies such as M87, which is the central galaxy of the Virgo cluster, and the starburst galaxy M82. If the axion couples to both nucleons and photons and is ultralight, then monochromatic hard x-ray signatures are induced by the subsequent axion-to-photon conversion in the magnetic fields permeating these systems. We search for evidence of such signals using NuSTAR data, focusing specifically on the 57 Fe de-excitation line at 14.4 keV, and we catalog other potentially relevant nuclear lines. We find no evidence for axions from M87 or M82 and set stringent constraints on the combined axion-nucleon and axion-photon coupling at the level of |𝑔 𝑎⁢𝑛⁢𝑛 × 𝑔 𝑎⁢𝛾⁢𝛾 | ≲ 1.1 × 10 −22 GeV −1 in the limit 𝑚 𝑎 ≲ 10 −10 eV at 95% confidence.

Ning, Orion [University of California, Berkeley, C↗
DOE OSTI2024

Omics-Based Comparison of Fungal Virulence Genes, Biosynthetic Gene Clusters, and Small Molecules in Penicillium expansum and Penicillium chrysogenum

Penicillium expansum is a ubiquitous pathogenic fungus that causes blue mold decay of apple fruit postharvest, and another member of the genus, Penicillium chrysogenum, is a well-studied saprophyte valued for antibiotic and small molecule production. While these two fungi have been investigated individually, a recent discovery revealed that P. chrysogenum can block P. expansum-mediated decay of apple fruit. To shed light on this observation, we conducted a comparative genomic, transcriptomic, and metabolomic study of two P. chrysogenum (404 and 413) and two P. expansum (Pe21 and R19) isolates. Global transcriptional and metabolomic outputs were disparate between the species, nearly identical for P. chrysogenum isolates, and different between P. expansum isolates. Further, the two P. chrysogenum genomes revealed secondary metabolite gene clusters that varied widely from P. expansum. This included the absence of an intact patulin gene cluster in P. chrysogenum, which corroborates the metabolomic data regarding its inability to produce patulin. Additionally, a core subset of P. expansum virulence gene homologues were identified in P. chrysogenum and were similarly transcriptionally regulated in vitro. Molecules with varying biological activities, and phytohormone-like compounds were detected for the first time in P. expansum while antibiotics like penicillin G and other biologically active molecules were discovered in P. chrysogenum culture supernatants. Our findings provide a solid omics-based foundation of small molecule production in these two fungal species with implications in postharvest context and expand the current knowledge of the Penicillium-derived chemical repertoire for broader fundamental and practical applications.

Bartholomew, Holly P. (ORCID:0000000292726399)↗
DOE OSTI2025

Axion lines from nuclear de-excitations in galactic stellar populations

We show that mono-energetic axions are produced in abundance through nuclear de-excitations in nearby galaxies such as M87, which is the central galaxy of the Virgo cluster, and the starburst galaxy M82. If the axion couples to both nucleons and photons and is ultralight, then monochromatic hard X-ray signatures are induced by the subsequent axion-to-photon conversion in the magnetic fields permeating these systems. We search for evidence of such signals using NuSTAR data, focusing specifically on the $^{57}$Fe de-excitation line at 14.4 keV, and we catalog other potentially relevant nuclear lines. We find no evidence for axions from M87 or M82 and set leading constraints on the combined axion-nucleon and axion-photon coupling at the level of $|g_{ann} \times g_{aγγ}| \lesssim 1.1 \times 10^{-22}$ GeV$^{-1}$ in the limit $m_a \lesssim 10^{-10}$ eV, at 95% confidence.

Astrophysics of Galaxies (astro-ph.GA)↗
NASA NTRS1995

ROSAT observations of compact groups of galaxies

We have systematically analyzed a sample of 13 new and archival ROSAT Position Sensitive Proportional Counter (PSPC) observations of compact groups of galaxies: 12 Hickson compact groups plus the NCG 2300 group. We find that approximately two-thirds of the groups have extended X-ray emission and, in four of these, the emission is resolved into diffuse emission from gas at a temperature of kT approximately 1 keV in the group potential. All but one of the groups with extended emission have a spiral fraction of less than 50%. The baryon fraction of groups with diffuse emission is 5%-19%, similar to the values in clusters of galaxies. However, with a single exception (HCG 62), the gas-to-stellar mass ratio in our groups has a median value near 5%, somewhat greater than the values for individual early-type galaxies and two orders of magnitude than in clusters of galaxies. The X-ray luminosities of individual group galaxies are comparable to those of similar field galaxies, although the L(sub X)-L(sub B) relation for early-type galaxies may be flatter in compact groups than in the field.

Pildis, Rachel A.↗
NASA NTRS2001

ASCA Observation of MS 1603.6+2600 (=UW Coronae Borealis): A Dipping Low-Mass X-ray Binary in the Outer Halo?

MS 1603.6+2600 is a high-latitude X-ray binary with a 111 min orbital period, thought to be either an unusual cataclysmic variable or an unusual low-mass X-ray binary. In an ASCA observation in 1997 August, we find a burst whose light curve suggests a Type 1 (thermonuclear flash) origin. We also find an orbital X-ray modulation in MS 1603.6+2600, which is likely to be periodic dips, presumably due to azimuthal structure in the accretion disk. Both are consistent with this system being a normal low-mass X-ray binary harboring a neutron star, but at a great distance. We tentatively suggest that MS 1603.6+2600 is located in the outer halo of the Milky Way, perhaps associated with the globular cluster Palomar 14, 11 deg away from MS 1603.6+2600 on the sky at an estimated distance of 73.8 kpc.

Mukai, Koji↗
NASA NTRS2016

DiskDetective.org: Finding Homes for Exoplanets Through Citizen Science

The Disk Detective project is scouring the data archive from the WISE all-sky survey to find new debris disks and protoplanetary disks-the dusty dens where exoplanets form and dwell. Volunteers on this citizen science website have already performed 1.6 million classifications, searching a catalog 8x the size of any published WISE survey. We follow up candidates using ground based telescopes in California, Arizona, Chile, Hawaii, and Argentina. We ultimately expect to increase the pool of known debris disks by approx. 400 and triple the solid angle in clusters of young stars examined with WISE, providing a unique new catalog of isolated disk stars, key planet-search targets, and candidate advanced extraterrestrial civilizations. Come to this talk to hear the news about our latest dusty discoveries and the trials and the ecstasy of launching a new citizen science project. Please bring your laptop or smartphone if you like!

debris disks↗
DOE OSTI2021

Gut microbiome partially mediates and coordinates the effects of genetics on anxiety-like behavior in Collaborative Cross mice

Abstract Growing evidence suggests that the gut microbiome (GM) plays a critical role in health and disease. However, the contribution of GM to psychiatric disorders, especially anxiety, remains unclear. We used the Collaborative Cross (CC) mouse population-based model to identify anxiety associated host genetic and GM factors. Anxiety-like behavior of 445 mice across 30 CC strains was measured using the light/dark box assay and documented by video. A custom tracking system was developed to quantify seven anxiety-related phenotypes based on video. Mice were assigned to a low or high anxiety group by consensus clustering using seven anxiety-related phenotypes. Genome-wide association analysis (GWAS) identified 141 genes (264 SNPs) significantly enriched for anxiety and depression related functions. In the same CC cohort, we measured GM composition and identified five families that differ between high and low anxiety mice. Anxiety level was predicted with 79% accuracy and an AUC of 0.81. Mediation analyses revealed that the genetic contribution to anxiety was partially mediated by the GM. Our findings indicate that GM partially mediates and coordinates the effects of genetics on anxiety.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Analysis of defects in In 2 O 3 :H synthesized in presence of water vapor and hydrogen gas mixture

Using hybrid functional-based density functional theory calculations, we analyze the structure and kinetics of defects formed in two competing synthesis routes to prepare hydrogen-doped In 2 O 3 films, using a hydrogen and oxygen gas mixture vs synthesis in the presence of water vapor. For both of these synthesis routes, we find that H + is the dominant defect species: when the Fermi level is close to the conduction band, H + has a lower formation energy than other intrinsic or extrinsic defects. Our results also suggest that water molecules spontaneously split into H + (which occupies octahedral voids) and OH – interstitials (which occupies vacant oxygen lattice sites or oxygen vacancies). From the analysis of the binding energies between these different defects, we conclude that these defects do not cluster and are most likely to stay spatially distributed throughout the films. In addition, the sum of formation energies of an oxygen (i.e., O$^{2–}_i$) and a H + interstitial is close to the formation energy of a OH – interstitial, meaning that water molecules are completely split into 2H + and O$^{2–}_i$ at the synthesis conditions. Further, in the presence of H 2 + O 2 gas mixture, oxygen interstitials occupy oxygen vacancies while hydrogen interstitials occupy vacant oxygen lattice sites and form bonds with lattice oxygens. Our analysis of the defect equilibria suggests that the hydrogen content in films synthesized in the presence of water vapor is higher than films synthesized in the presence of a hydrogen gas mixture. At high dopant concentrations, a hydrogen bond network is formed in the system and this leads to large distortions in the lattice.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗