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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 OSTI2024

No ν s is Good News

The baryon acoustic oscillation (BAO) analysis from the first year of data from the Dark Energy Spectroscopic Instrument (DESI), when combined with data from the cosmic microwave background (CMB), has placed an upper-limit on the sum of neutrino masses, ∑m ν < 70 meV (95%). In addition to excluding the minimum sum associated with the inverted hierarchy, the posterior is peaked at ∑m ν = 0 and is close to excluding even the minumum sum, 58 meV at 2σ. In this paper, we explore the implications of this data for cosmology and particle physics. The sum of neutrino mass is determined in cosmology from the suppression of clustering in the late universe. Allowing the clustering to be enhanced, we extended the DESI analysis to ∑m ν < 0 and find ∑m ν =160 ± 90 meV (68%), and that the suppression of power from the minimum sum of neutrino masses is excluded at 99% confidence. We show this preference for negative masses makes it challenging to explain the result by a shift of cosmic parameters, such as the optical depth or matter density. We then show how a result of ∑m ν = 0 could arise from new physics in the neutrino sector, including decay, cooling, and/or time-dependent masses. These models are consistent with current observations but imply new physics that is accessible in a wide range of experiments. In addition, we discuss how an apparent signal with ∑m ν < 0 can arise from new long range forces in the dark sector or from a primordial trispectrum that resembles the signal of CMB lensing.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Probing Heterogeneity in Bovine Enamel Composition through Nanoscale Chemical Imaging using Atom Probe Tomography

Objective: The aim of this study was to determine the heterogeneity in chemical composition of bovine enamel using atom probe tomography, and thereby evaluate the suitability of bovine enamel as a substitute for human enamel in in vitro dental research. Design: Enamel samples from extracted bovine incisor teeth were first sectioned using a diamond saw and then milled into needle-like samples (<100 nm diameter) by focused ion beam (FIB) coupled with a scanning electron microscope (SEM). The samples were then analyzed in the atom probe to acquire three-dimensional (3D) images and quantify the atomic chemistry and distribution in bovine enamel. Results: For the first time, the atomic-level composition and clustering of major constituents and impurities within bovine enamel were determined and imaged. We discovered that the chemical composition of bovine enamel is spatially inhomogeneous at the atomic scale. The average bulk Ca/P ratio, ~1.4, was in agreement with previously reported literature values from alternative conventional methods. When assessed locally at the atomic scale, the Ca/P ratio varied between 1.1 and 2.03. We also discovered that the Mg impurities were significantly segregated throughout the enamel, and such clustering influenced the variation of Ca/P ratios. The increase in Mg concentrations, near the Mg clusters, correlated with increased Ca and decreased P concentrations. Conclusion: In conclusion, the presented findings of variability in local composition should be taken into account when interpreting dental research results from bovine enamel.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Temperature statistics in a radiatively heated particle-laden turbulent square duct flow

Radiation absorption by preferentially concentrated particles in a turbulent square duct flow is studied experimentally. The particle-laden flow is exposed to near-infrared radiation, and the gas phase temperature statistics are measured along the wall bisector of the duct. It is found that the instantaneous temperature fluctuations are comparable to the overall mean temperature rise. The temperature statistics at the duct centerline and near the wall are qualitatively different. The former reflects preferential concentration in isotropic flows while the latter displays evidence of particle clustering into streamwise elongated streaks. Comparison of the experimental data to a simplified heat transfer model suggests that the Lagrangian evolution of particle clusters and voids, and turbulent mixing in the vicinity of particle clusters, are important. This work was motivated by particle solar receiver technology, but the findings are also relevant to systems where there is localized heat release or mass transfer from disperse particles or droplets. It shows that obtaining Lagrangian histories of particle trajectories is an important next step towards understanding thermal transport phenomena in particle-laden turbulent flows.

42 ENGINEERING↗
DOE OSTI2021

Defining optimal enzyme and matrix combination for replating of human induced pluripotent stem cell-derived cardiomyocytes at different levels of maturity

Human induced pluripotent stem cell-derived cardiomyocytes (hiPSC-CM) create an unlimited cell source for basic and translational research. Depending on the maturity of cardiac cultures and the intended applications, obtaining hiPSC-CMs as a single-cell, monolayer or three-dimensional clusters can be challenging. Here, we defined strategies to replate hiPSC-CMs on early days (D15-30) or later more mature (D60-150) differentiation cultures. After generation of hiPSCs and derivation of cardiomyocytes, four dissociation reagents Collagenase A/B, Collagenase II, TrypLE, EDTA and five different extracellular matrix materials Laminin, iMatrix-511, Fibronectin, Matrigel, and Geltrex were comparatively evaluated by imaging, cell viability, and contraction analysis. For early cardiac differentiation cultures mimicking mostly the embryonic stage, the highest adhesion, cell viability, and beating frequencies were achieved by treatment with the TrypLE enzyme. Video-based contraction analysis demonstrated higher beating rates after replating compared to before treatment. For later differentiation days of more mature cardiac cultures, dissociation with EDTA and replating cells on Geltrex or Laminin-derivatives yielded better recovery. Cardiac clusters at various sizes were detected in several groups treated with collagenases. Collectively, our findings revealed the selection criteria of the dissociation approach and coating matrix for replating iPSC-CMs based on the maturity and the requirements of further downstream applications.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

ReaxFF Reactive Force Field for Exploring Electronically Switchable Polarization in Zn 1– x Mg x O Ferroelectric Semiconductors

Cation misfit in traditional ferroelectric crystals offers a new material platform that can drive electronic components toward structural miniaturization and high-density integration, enabling deviation from von-Neumann architectures. Here, we explore ferroelectricity in Zn 1–x Mg x O, a nontraditional ferroelectric material with tunable properties. Using data from density-functional theory calculations, we have developed a ReaxFF reactive force field to explore the ferroelectric properties of Zn 1–x Mg x O and reveal the hysteresis behavior. We discover that ferroelectric switching can be observed at a critical thickness of 10 nm with a residual polarization of ~100 μC/cm 2 . Our analysis indicates that an increase in Mg-substitution correlates with a decrease in the coercive field. We also observe a strong temperature dependence of the coercive field in Zn 1–x Mg x O, with values decreasing as the temperature increases. Additionally, we find that the distribution of Mg atoms significantly impacts the coercive field, with a clustered distribution leading to a substantial increase. In particular, a decrease in coercive field values is observed when Mg atoms are randomly distributed, compared to uniform distribution. Furthermore, leveraging tunable hysteresis behavior offered by varied percentages and distribution of Mg-substitution provides valuable insights into the design of next-generation functional devices and will inspire further investigations.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Comment on “Localized and Delocalized States of a Diamine Cation: Resolution of a Controversy”

Since its appearance in and recent re-investigation in the dimethylpiperazine cation (DMP + ) has generated considerable discussion and controversy in the scientific literature over the existence of stable, local energy minima in this molecular system. Specifically, prior assumptions that the Rydberg state and radical cation of DMP are similar have led to significant confusion and debate regarding the accuracy of various quantum chemistry methods and the existence of stable configurations of DMP+ itself. The purpose of this Viewpoint is to highlight recent studies that call into question the main findings in the previously mentioned works as well as present new CCSDT (Coupled-Cluster with Single, Double, and Triple excitations) calculations to finally bring closure to this controversy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Reaction dynamics of S( 3 P) with 1,3-butadiene and isoprene: crossed-beam scattering, low-temperature flow experiments, and high-level electronic structure calculations

Sulfur atoms serve as key players in diverse chemical processes, from astrochemistry at very low temperature to combustion at high temperature. Building upon our prior findings, showing cyclization to thiophenes following the reaction of ground-state sulfur atoms with dienes, we here extend this investigation to include many additional reaction products, guided by detailed theoretical predictions. The outcomes highlight the complex formation of products during intersystem crossing (ISC) to the singlet surfaces. Here, we employed crossed-beam velocity map imaging and high-level ab initio methods to explore the reaction of S( 3 P) with 1,3-butadiene and isoprene under single-collision conditions and in low-temperature flows. For the butadiene reaction, our experimental results show the formation of thiophene via H 2 loss, a 2H-thiophenyl radical through H loss, and thioketene through ethene loss at a slightly higher collision energy compared to previous observations. Complementary Chirped-Pulse Fourier-Transform mmWave spectroscopy (CP-FTmmW) measurements in a uniform flow confirmed the formation of thioketene in the reaction at 20 K. For the isoprene reaction, we observed analogous products along with the 2H-thiophenyl radical arising from methyl loss and C 3 H 4 S (loss of ethene or H 2 + acetylene). CP-FTmmW detected the formation of thioformaldehyde via loss of 1,3-butadiene, again in the 20 K flow. Coupled-cluster calculations on the pathways found by the automated kinetic workflow code KinBot support these findings and indicate ISC to the singlet surface, leading to the generation of various long-lived intermediates, including 5-membered heterocycles.

Lang, Jinxin↗
DOE OSTI2021

Microevolution in the pansecondary metabolome of Aspergillus flavus and its potential macroevolutionary implications for filamentous fungi

Significance Secondary metabolites (SMs) produced by fungi mediate ecological interactions, define fungal niches, and are of profound pharmacological importance to humans. Most work on SMs has focused on a small number of individuals from each species, not fully reflecting the importance of intraspecific diversity. We demonstrate that even in one of the best-studied model fungi, the carcinogen-producing Aspergillus flavus , more than 25% of SM-producing biosynthetic gene clusters (BGCs) are novel and/or show population-specific variants. These results support the finding that the organization of BGC diversity into population-specific patterns may sometimes result from ecologically important interactions and may inform evolutionary and etiological inferences of SM capacities within a species. Importantly, our work also presents a vision of sources of potential pharmaceuticals.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Impact of Soret effect on hydrogen and helium retention in PFC tungsten under ELM-like conditions

Abstract In our previous work, we have demonstrated using nonequilibrium molecular-dynamics simulations that the fluxes of helium and self-interstitial atoms in the presence of a thermal gradient in tungsten are directed opposite to the heat flux, indicating that species transport is governed by a Soret effect, namely, thermal-gradient-driven diffusion, characterized by a negative heat of transport that drives species transport uphill, i.e. from the cooler to the hot regions of the tungsten sample. In this work, the findings of our thermal and species transport analysis have been implemented in our cluster-dynamics code, Xolotl, which has been used to compute temperature and species profiles over spatiotemporal scales representative of plasma-facing component (PFC) tungsten under typical reactor operating conditions, including extreme heat loads at the plasma-facing surface characteristic of plasma instabilities that induce edge localized modes (ELMs). We demonstrate that the steady-state species profiles, when properly accounting for the Soret effect, vary significantly from those where temperature-gradient-driven transport is not accounted for and discuss the implications of such a Soret effect on the response to plasma exposure of plasma-facing tungsten. Although our cluster-dynamics simulations do not yet include self-clustering of helium or hydrogen blister formation, our simulation results show that the Soret effect substantially reduces helium and hydrogenic species retention inside PFC tungsten.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Two-Neutron Halo is Unveiled in F 29

Here, we report the measurement of reaction cross sections ( σ R ex ) of F 27 , 29 with a carbon target at RIKEN. The unexpectedly large σ R ex and derived matter radius identify F 29 as the heaviest two-neutron Borromean halo to date. The halo is attributed to neutrons occupying the 2 p 3 / 2 orbital, thereby vanishing the shell closure associated with the neutron number N = 20 . The findings are explained by state-of-the-art shell model calculations. Coupled-cluster computations based on effective field theories of the strong nuclear force describe the matter radius of F 27 but are challenged for F 29 .

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Evidence of a Dwarf Galaxy Stream Populating the Inner Milky Way Halo

Stellar streams produced from dwarf galaxies provide direct evidence of the hierarchical formation of the Milky Way. Here, we present the first comprehensive study of the LMS-1 stellar stream, that we detect by searching for wide streams in the Gaia EDR3 data set using the STREAMFINDER algorithm. This stream was recently discovered by Yuan et al. We detect LMS-1 as a 60° long stream to the north of the galactic bulge, at a distance of ~20 kpc from the Sun, together with additional components that suggest that the overall stream is completely wrapped around the inner Galaxy. Using spectroscopic measurements from the Large Sky Area Multi-Object Fiber Spectroscopic Telescope, the Sloan Digital Sky Survey, and the Apache Point Observatory Galactic Evolution Experiment, we infer that the stream is very metal-poor (<[Fe/H]> = –2.1) with a significant metallicity dispersion (σ [Fe/H] = 0.4), and it possesses a large radial velocity dispersion (σ v = 20 ± 4 km s–1 ). These estimates together imply that LMS-1 is a dwarf galaxy stream. The orbit of LMS-1 is close to polar, with an inclination of 75° to the galactic plane. Both the orbit and metallicity of LMS-1 are remarkably similar to the globular clusters NGC 5053, NGC 5024, and the stellar stream Indus. As a result, these findings make LMS-1 an important contributor to the stellar population of the inner Milky Way halo.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Cluster-dynamics-based parameterization for sulfuric acid–dimethylamine nucleation: comparison and selection through box and three-dimensional modeling

Clustering of gaseous sulfuric acid (SA) enhanced by dimethylamine (DMA) is a major mechanism for new particle formation (NPF) in polluted atmospheres. However, uncertainty remains regarding the SA–DMA nucleation parameterization that reasonably represents cluster dynamics and is applicable across various atmospheric conditions. This uncertainty hinders accurate three-dimensional (3-D) modeling of NPF and the subsequent assessment of its environmental and climatic impacts. Here we extensively compare different cluster-dynamics-based parameterizations for SA–DMA nucleation and identify the most reliable one through a combination of box model simulations, 3-D modeling, and in situ observations. Results show that the parameterization derived from Atmospheric Cluster Dynamic Code (ACDC) simulations, incorporating the latest theoretical insights (DLPNO-CCSD(T)/aug-cc-pVTZ//ωB97X-D/6-311++G(3df,3pd) level of theory) and adequate representation of cluster dynamics, exhibits dependable performance in 3-D NPF simulation for both winter and summer conditions in Beijing and shows promise for application in diverse atmospheric conditions. Another ACDC-derived parameterization, replacing the level of theory with RI-CC2/aug-cc-pV(T+d)Z//M06-2X/6–311++G(3df,3pd), also performs well in NPF modeling at relatively low temperatures around 280 K but exhibits limitations at higher temperatures due to inappropriate representation of SA–DMA cluster thermodynamics. Additionally, a previously reported parameterization incorporating simplifications is applicable for simulating NPF in polluted atmospheres but tends to overestimate particle formation rates under conditions of elevated temperature (>∼300 K) and low-condensation sink (<∼3×10 -3 s −1 ). Our findings highlight the applicability of the new ACDC-derived parameterization, which couples the latest SA–DMA nucleation theory and holistic cluster dynamics, in 3-D NPF modeling. The ACDC-derived parameterization framework provides a valuable reference for developing parameterizations for other nucleation systems.

Shen, Jiewen↗
DOE OSTI2021

ML Clustering to Identify Natural Gas Pipeline Infrastructure Vulnerabilities

The network of more than 2.5 million miles of natural gas pipelines the U.S. are exposed to a range of vulnerabilities, ranging from extreme weather, to human behavior, and increasingly, to cyber threats. Advanced, data-driven analytics, including the use of machine learning and artificial intelligence, afford an opportunity to identify potential vulnerabilities, better understand risks, and help mitigate vulnerabilities in the network. At NETL, machine learning is being used to explore pipeline vulnerabilities and identify significant clusters of failure events, including failures due to weather, human behavior, and materials. These findings are being used to support the development of new technologies, including sensors, but can also be used to evaluate and inform mitigation strategies to reduce risks and vulnerabilities throughout the network.

Bauer, Jennifer↗
DOE OSTI2024

The impact of environment on size: Galaxies are 50% smaller in the Fornax Cluster compared to the field

Size is a fundamental parameter for measuring the growth of galaxies and the role of the environment on their evolution. However, the conventional size definitions used for this purpose are often biased and miss the diffuse, outermost signatures of galaxy growth, including star formation and gas accretion. We address this issue by examining low surface brightness truncations or galaxy ‘edges’ as a physically motivated tracer of size based on star formation thresholds. Our total sample consists of ∼900 galaxies with stellar masses ranging from 10 5 M ⊙ < M ⋆ < 10 11 M ⊙ . This sample of nearby cluster, group satellite, and nearly isolated field galaxies was compiled using multi-band imaging from the Fornax Deep Survey, deep IAC Stripe 82, and Dark Energy Camera Legacy Surveys. We find that the edge radii scale as R edge ∝ M ⋆ 0.42 , with a very small intrinsic scatter (∼0.07 dex). The scatter is driven by the morphology and environment of galaxies. In both the cluster and field, early-type dwarfs are systematically smaller by approximately 20% compared to late-type dwarfs. However, galaxies in the Fornax cluster are the most impacted. At a fixed stellar mass, edges in the cluster can be found at about 50% smaller radii, and the average stellar surface density at the edges is a factor of two higher, ∼1 M ⊙ /pc 2 . Our findings support the rapid removal of loosely bound neutral hydrogen (H I ) in hot, crowded environments, which truncates galaxies outside-in earlier, preventing the formation of more extended sizes and lower density edges. Our results highlight the importance of deep imaging surveys to the study of low surface brightness imprints of the large-scale structure and environment on galaxy evolution.

Astronomy & Astrophysics↗
DOE OSTI2021

Measuring H 0 using X-ray and SZ effect observations of dynamically relaxed galaxy clusters

ABSTRACT We use a sample of 14 massive, dynamically relaxed galaxy clusters to constrain the Hubble constant, H0, by combining X-ray and Sunyaev–Zel’dovich (SZ) effect signals measured with Chandra, Planck, and Bolocam. This is the first such analysis to marginalize over an empirical, data-driven prior on the overall accuracy of X-ray temperature measurements, while our restriction to the most relaxed, massive clusters also minimizes astrophysical systematics. For a cosmological-constant model with Ωm = 0.3 and ΩΛ = 0.7, we find $H_0 = 67.3^{+21.3}_{-13.3}\, \mathrm{km}\, \mathrm{s}^{-1}\, \mathrm{Mpc}^{-1}$, limited by the temperature calibration uncertainty (compared to the statistically limited constraint of $H_0 = 72.3^{+7.6}_{-7.6}\, \mathrm{km}\, \mathrm{s}^{-1}\, \mathrm{Mpc}^{-1}$). The intrinsic scatter in the X-ray/SZ pressure ratio is found to be 13 ± 4 per cent (10 ± 3 per cent when two clusters with significant galactic dust emission are removed from the sample), consistent with being primarily due to triaxiality and projection. We discuss the prospects for reducing the dominant systematic limitation to this analysis, with improved X-ray calibration and/or precise measurements of the relativistic SZ effect providing a plausible route to per cent level constraints on H0.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Deep transfer learning for star cluster classification: I. application to the PHANGS– HST survey

ABSTRACT We present the results of a proof-of-concept experiment that demonstrates that deep learning can successfully be used for production-scale classification of compact star clusters detected in Hubble Space Telescope(HST) ultraviolet-optical imaging of nearby spiral galaxies ($D\lesssim 20\, \textrm{Mpc}$) in the Physics at High Angular Resolution in Nearby GalaxieS (PHANGS)–HST survey. Given the relatively small nature of existing, human-labelled star cluster samples, we transfer the knowledge of state-of-the-art neural network models for real-object recognition to classify star clusters candidates into four morphological classes. We perform a series of experiments to determine the dependence of classification performance on neural network architecture (ResNet18 and VGG19-BN), training data sets curated by either a single expert or three astronomers, and the size of the images used for training. We find that the overall classification accuracies are not significantly affected by these choices. The networks are used to classify star cluster candidates in the PHANGS–HST galaxy NGC 1559, which was not included in the training samples. The resulting prediction accuracies are 70 per cent, 40 per cent, 40–50 per cent, and 50–70 per cent for class 1, 2, 3 star clusters, and class 4 non-clusters, respectively. This performance is competitive with consistency achieved in previously published human and automated quantitative classification of star cluster candidate samples (70–80 per cent, 40–50 per cent, 40–50 per cent, and 60–70 per cent). The methods introduced herein lay the foundations to automate classification for star clusters at scale, and exhibit the need to prepare a standardized data set of human-labelled star cluster classifications, agreed upon by a full range of experts in the field, to further improve the performance of the networks introduced in this study.

Wei, Wei↗
DOE OSTI2023

How the dynamical properties of globular clusters impact their $γ$-ray and X-ray emission

The X-ray and $γ$-ray emission of globular clusters (GCs) is attributed to their large fraction of compact binary systems, especially those with millisecond pulsars (MSPs). We analyse a population of 124 Galactic GCs to investigate how their dynamical properties affect the formation and evolution of compact binary systems and how this can be translated into the clusters’ observed X-ray and γ-ray emission. We use mainly Chandra X-ray Observatory and Fermi Large Area Telescope observations to achieve our goals and start by detecting 39 GCs in γ rays, seven of which are not listed in previous Fermi -LAT catalogs. Additionally, we find that the total number of X-ray sources within a GC and its γ-ray luminosity are linearly correlated with the stellar encounter rate, indicating that compact binary systems are mainly formed via close stellar encounters. We also find an unexpected rise in the number of X-ray sources for GCs with low rates of stellar encounters, suggesting that there is a dynamical threshold where the formation of X-ray sources is dominated by stellar encounters. Furthermore, we use the Heggie-Hills law to find that subsequent stellar encounters in these compact binaries will, on average, make the binaries even harder, with basically no possibility of binary ionization. Finally, we find that all GCs are point-like sources in γ rays, indicating that the MSPs are concentrated in the clusters’ cores, likely due to dynamical friction.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Evidence for C and Mg variations in the GD-1 stellar stream

ABSTRACT Dynamically cold stellar streams are the relics left over from globular cluster dissolution. These relics offer a unique insight into a now fully disrupted population of ancient clusters in our Galaxy. Using a combination of Gaia eDR3 proper motions, optical and near-UV colours, we select a sample of likely Red Giant Branch stars from the GD-1 stream for medium-low resolution spectroscopic follow-up. Based on radial velocity and metallicity, we are able to find 14 new members of GD-1, 5 of which are associated with the spur and blob/cocoon off-stream features. We measured C-abundances to probe for abundance variations known to exist in globular clusters. These variations are expected to manifest in a subtle way in globular clusters with such low masses ($\sim 10^4\,{\rm ~\textrm {M}_\odot }$) and metallicities ([Fe/H] ∼ −2.1 dex). We find that the C-abundances of the stars in our sample display a small but significant (3σ level) spread. Furthermore, we find ∼3σ variation in Mg-abundances among the stars in our sample that have been observed by APOGEE. These abundance patterns match the ones found in Galactic globular clusters of similar metallicity. Our results suggest that GD-1 represents another fully disrupted low-mass globular cluster where light-element abundance spreads have been found.

79 ASTRONOMY AND ASTROPHYSICS↗