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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 1,441 records · Page 80
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Evidence for Evolved Stellar Binary Mergers in Observed B-type Blue Supergiants

Blue supergiants are the brightest stars in their host galaxies, and yet their evolutionary status has been a long-standing problem in stellar astrophysics. In this pioneering work, we present a large sample of 59 early B-type supergiants in the Large Magellanic Cloud with newly derived stellar parameters and identify the signatures of stars born from binary mergers among them. We simulate novel 1D merger models of binaries consisting of post main-sequence giants with helium-rich cores (primaries) and main-sequence companions (secondaries), and consider the effects of interaction of the secondary with the core of the primary along with the mixing induced by the merger in the envelope. Thereafter, the evolution of the newborn 17–43 M ⊙ stars is followed until core-carbon depletion, close to their final pre-explosion stage. Unlike stars born alone with comparable masses, stars born from mergers of evolved binaries are blue throughout their core helium-burning phase and replicate the surface gravities and Hertzsprung–Russell diagram positions of most of our sample, thus indicating that B-type supergiants structurally resemble stars born from such mergers. Moreover, the large nitrogen-to-carbon and nitrogen-to-oxygen number ratios, coupled with helium enhancements exhibited by at least half our data sample, is uniquely reproduced by our merger models. Collectively, these findings provide compelling evidence toward the important role of binary mergers in producing the currently observed population of blue supergiants in our Universe.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Cool Cores in Clusters of Galaxies in the Dark Energy Survey

We search for the presence of cool cores in optically selected galaxy clusters from the Dark Energy Survey (DES) and investigate their prevalence as a function of redshift and cluster richness. Clusters were selected from the redMaPPer analysis of three years of DES observations that have archival Chandra X-ray observations, giving a sample of 99 clusters with a redshift range of 0.11 < z < 0.87 and a richness range of 25 < λ < 207. Using the X-ray data, the core temperature was compared to the outer temperature to identify clusters where the core temperature is a factor of 0.7 or less than the outer temperature. We found a cool core fraction of approximately 20% with no significant trend in the cool core fraction with either redshift or richness.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Electron energy loss spectroscopy study of ceria sinters and nanoparticles irradiated with swift heavy ions

The electronic energy loss spectra of ceria (CeO 2 ) irradiated with swift heavy ions (27 MeV Xe and 946 MeV Au) in the electronic slowing down regime were measured for bulk sintered samples and nanoparticles by using a double Cs-corrected transmission electron microscope. The low-loss region as well as the core-loss region, including the oxygen K-edge and cerium M 4, 5 white lines, were recorded. No strong lattice disorder was found in the low-loss peaks for both types of samples showing the same bulk oxygen plasmon loss peak at about 15 eV. However, there is a clear evidence of cerium reduction to the trivalent oxidation state after irradiation for the sintered samples as shown by the K-edge shape of oxygen and decrease of the Ce M 4 /M 5 intensity ratio. A similar change of the M 4 /M 5 intensity ratio was observed for the irradiated nanoparticles with respect to the virgin sample owing to the high energy input inside the nanograin. The effect of radiation damage on electron energy loss spectroscopy data is analyzed for both types of samples and irradiation conditions.

Crystallographic defects↗
NASA NTRS1992

Three-epoch VLBI observations of the nucleus in the lobe-dominated quasar 3C 334

VLBI observations at three epochs spanning 7 yr. reveals possible superluminal motion of the nucleus of the lobe-dominated quasar 3C 334. This is the third lobe-dominated quasar confirmed or suspected to be superluminal in a complete, flux density-limited sample of these objects, and the sixth including other surveys. The result continues the trend for lobe-dominated quasars to have lower superluminal speeds than core-dominated quasars, and coupled with other radio properties that are indicators of source orientation, it is consistent with the simple relativistic beaming model in a randomly oriented sample.

Hough, D. H.↗
DOE OSTI2013

INTERPRETING THE ROLE OF THE MAGNETIC FIELD FROM DUST POLARIZATION MAPS

Dust polarization observations from the Submillimeter Array (SMA) and the Caltech Submillimeter Observatory (CSO) are analyzed with the goal of providing a general tool to interpret the role of the magnetic field in molecular clouds. Magnetic field and dust emission gradient orientations are observed to show distinct patterns and features. The angle δ between these two orientations can be interpreted as a magnetic field alignment deviation, assuming the emission gradient orientation to coincide with the density gradient orientation in the magnetohydrodynamics force equation. In SMA high-resolution (collapsing) cores, additional symmetry properties in δ can reveal accretion and outflow zones. All these observational findings suggest the angle δ to be a relevant quantity that can assess the role of the magnetic field. Indeed, when comparing this angle with the (projection-free) magnetic field significance Σ{sub B} (introduced by Koch and coworkers in 2012), it is demonstrated that |δ| yields an approximation to the change in Σ{sub B}. Thus, changes in the magnetic field alignment deviation δ trace changes in the role of the magnetic field. The angle δ is observationally straightforward to determine, providing a tool to distinguish between zones of minor or significant magnetic field impact. This is exemplified by the CSO M+0.25 + 0.01, Mon R2, CO+0.02 – 0.02, M–0.02 – 0.07 sources and by the SMA high-resolution data from W51 e2, W51 North, Orion BN/KL and g5.89. Additional CSO sources are analyzed, providing further support of this result. Finally, based on the different features found in our sample of 31 sources in total, covering sizes from large-scale complexes to collapsing cores, a schematic evolutionary scenario is proposed. Here, the significance of the magnetic field evolves both with position and scale, and can be assessed with the angle δ.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Wellbore cement fracture evolution at the cement–basalt caprock interface during geologic carbon sequestration

Composite Portland cement-basalt caprock cores with fractures, as well as neat Portland cement columns, were prepared to understand the geochemical and geomechanical effects on the integrity of wellbores with defects during geologic carbon sequestration. The samples were reacted with CO2-saturated groundwater at 50 ºC and 10 MPa for 3 months under static conditions, while one cement-basalt core was subjected to mechanical stress at 2.7 MPa before the CO2 reaction. Micro-XRD and SEM-EDS data collected along the cement-basalt interface after 3-month reaction with CO2-saturated groundwater indicate that carbonation of cement matrix was extensive with the precipitation of calcite, aragonite, and vaterite, whereas the alteration of basalt caprock was minor. X-ray microtomography (XMT) provided three-dimensional (3-D) visualization of the opening and interconnection of cement fractures due to mechanical stress. Computational fluid dynamics (CFD) modeling further revealed that this stress led to the increase in fluid flow and hence permeability. After the CO2-reaction, XMT images displayed that calcium carbonate precipitation occurred extensively within the fractures in the cement matrix, but only partially along the fracture located at the cement-basalt interface. The 3-D visualization and CFD modeling also showed that the precipitation of calcium carbonate within the cement fractures after the CO2-reaction resulted in the disconnection of cement fractures and permeability decrease. The permeability calculated based on CFD modeling was in agreement with the experimentally determined permeability. This study demonstrates that XMT imaging coupled with CFD modeling represent a powerful tool to visualize and quantify fracture evolution and permeability change in geologic materials and to predict their behavior during geologic carbon sequestration or hydraulic fracturing for shale gas production and enhanced geothermal systems.

basalt↗
DOE OSTI2024

A functional microbiome catalogue crowdsourced from North American rivers

Predicting elemental cycles and maintaining water quality under increasing anthropogenic influence requires knowledge of the spatial drivers of river microbiomes. However, understanding of the core microbial processes governing river biogeochemistry is hindered by a lack of genome-resolved functional insights and sampling across multiple rivers. Here we used a community science effort to accelerate the sampling, sequencing and genome-resolved analyses of river microbiomes to create the Genome Resolved Open Watersheds database (GROWdb). GROWdb profiles the identity, distribution, function and expression of microbial genomes across river surface waters covering 90% of United States watersheds. Specifically, GROWdb encompasses microbial lineages from 27 phyla, including novel members from 10 families and 128 genera, and defines the core river microbiome at the genome level. GROWdb analyses coupled to extensive geospatial information reveals local and regional drivers of microbial community structuring, while also presenting foundational hypotheses about ecosystem function. Building on the previously conceived River Continuum Concept, we layer on microbial functional trait expression, which suggests that the structure and function of river microbiomes is predictable. We make GROWdb available through various collaborative cyberinfrastructures, so that it can be widely accessed across disciplines for watershed predictive modelling and microbiome-based management practices.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2013

Quantifying mass segregation and new core radii for 54 Milky Way globular clusters

We present core radii for 54 Milky Way globular clusters determined by fitting King-Michie models to cumulative projected star count distributions. We find that fitting star counts rather than surface brightness profiles produces results that differ significantly due to the presence of mass segregation. The sample in each cluster is further broken down into various mass groups, each of which is fit independently, allowing us to determine how the concentration of each cluster varies with mass. The majority of the clusters in our sample show general agreement with the standard picture that more massive stars will be more centrally concentrated. We find that core radius versus stellar mass can be fit with a two-parameter power law. The slope of this power law is a value that describes the amount of mass segregation present in the cluster, and is measured independently of our distance from the cluster. This value correlates strongly with the core relaxation time and physical size of each cluster. Supplementary figures are also included showing the best fits and likelihood contours of fit parameters for all 54 clusters.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRSDate not supplied

Latest Results from NASA Ames’ COSmIC and Optical Constants Facility (OCF): Determining Optical Constants for Titan, Pluto and Protoplanetary Disks Applications

The NASA Ames COsmic SImulation Chamber (COSmIC) is a unique experimental facility that can be used, among many applications, to produce solid particles from gas phase molecular precursors at low temperature (150 K) using a plasma discharge to induce the chemistry in the stream of a free jet expansion. The choice of the initial gas mixture used to produce the solid sample allows the simulation of either cold planetary atmospheres like Titan or Pluto (with N2/CH4-based initial mixtures), or circumstellar environments (with Ar/CxHy-based initial mixtures). The Ames Optical Constants Facility (OCF) allows the determination of optical constants covering a broad wavelength range with high spectral resolution for solid materials, analogs of organic refractory materials formed in planetary and astrophysical environments. The core of the OCF is a Fourier transform infrared (FTIR) spectrometer that allows the continuous characterization of solid samples in the visible to far-infrared (FIR) range (0.59–200 μm, 16,950–50 cm−1). Modeling of the laboratory measurements conducted with the OCF allows the determination of accurate optical constants, n and k, over the full vis-FIR range. Here we present the latest results of two studies that combined (1) experiments performed with COSmIC to produce analogs of aerosols forming in Titan’s atmosphere and analogs of cosmic grains forming in circumstellar envelops, and (2) the characterization of these analogs with the OCF to provide the real and imaginary parts of their refractive indices, n + ik, to the community, from the visible to the FIR. These optical constants can be used as critical input parameters in radiative transfer, atmospheric and reflectance models to interpret observational data of, e.g., Titan’s atmosphere and protoplanetary disks. Providing optical constants for various materials of different compositions allows to explore a broad range of composition by simulating mixtures of materials. We also present a new project to produce analogs of Pluto’s atmospheric aerosols with COSmIC and determine their optical constants with OCF, to be used in reflectance spectra models for the interpretation of New Horizons observations of Lowell Regio, Sputnik Planitia and Cthulhu.

COsmic SImulation Chamber (COSmIC)↗
DOE OSTI2024

Enrichment of Phosphates, Lead, and Mixed Soil–Organic Particles in INPs at the Southern Great Plains Site

Ice nucleating particles (INPs) are rare particles that initiate primary ice formation, a critical step required for subsequent important cloud microphysical processes that ultimately govern cloud phase and cloud radiative properties. Laboratory studies have found that organic-rich dusts, such as those found in soils, are more efficient INPs compared to mineral dust. However, the atmospheric relevance of these organic-rich dusts are not well understood, particularly in regions with significant agricultural activity. The Agricultural Ice nuclei at the Southern Great Plains field campaign (AGINSGP) was conducted in rural Oklahoma to investigate how soil dusts contribute to INP populations in the Great Plains. We present chemical characterization of ambient and ice crystal residual particles from a single day of sampling, using single particle mass spectrometry (SPMS) and scanning microscopy. Ambient particles were primarily carbonaceous or secondary aerosol, while the fraction of dust particles was higher in the residual particles. We also observed an unusual particle type consisting of a carbonaceous core mixed with dust fragments on the surface, which was found in higher proportion in residuals. Dust particles measured during residual sampling contained greater proportions of phosphate $(^{63}\text{PO}^-_2$ and $^{79}\text{PO}^-_3)$ and lead ( 206 Pb + ). Strong sulfate signals were not seen in the residual dust particles measured by the SPMS, while nitrate was slightly depleted relative to ambient dust. This study shows that organic-rich soils may be important contributors to the ambient INP population in agricultural regions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Dynamic Structural Changes of SiO₂ Supported Pt-Ni Bimetallic Catalysts over Redox Treatments Revealed by NMR and EPR

SiO 2 supported Pt-Ni bimetallic catalysts with different nickel loadings were prepared and their structural changes after redox treatments were studied by XRD, NMR, and EPR. It is found that the paramagnetic Ni species are mainly located on the surface of silica lattice. The relaxation of detected 29 Si nuclei in our samples is mainly governed by a spin-diffusion mechanism. The paramagnetic effects are reflected in the spin-lattice relaxation of Q 4 species, with the oxidized samples presenting faster relaxation rates than the corresponding reduced ones. Meanwhile the Q 3 species, which are in close contact with the paramagnetic nickel ions, are “spectrally invisible”. In reducing atmosphere Ni gradually diffuses into Pt NPs to form PtNi alloys. While under oxidization treatment, the alloyed Ni atoms migrate outward from the core of Pt NPs and are oxidized. The main EPR spectrum results from reduced nickel species, and the reduced samples show stronger EPR signal than the corresponding oxidized ones. However, in the reduced samples, the superparamagnetic or ferromagnetic metallic Ni particles were inside the PtNi NPs, making their influence on the 29 Si relaxation in the SiO 2 support weaker than the oxidized samples.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2015

Surface interactions and degradation of a fluoroquinolone antibiotic in the dark in aqueous TiO 2 suspensions

Fluoroquinolone antibiotics (FQs) are important drugs used in human and veterinary medicine. Their detection in natural waters and waste water treatment plants, along with increased resistance to FQs among some bacteria, have generated an increased interest in the fate of these drugs in the environment. Partitioning of FQs between an aqueous solution and attendant substrates depends, in part, on the surface reactivity of the adsorbent, commonly a function of particle size, surface charge, and functional groups. In this paper, this study investigated the surface interactions between the FQ drug ofloxacin (OFL) and titanium oxide (TiO 2 ), a common catalyst and widely-observed constituent in many consumer products. Raman and fluorescence spectroscopic techniques, as well as LC/MS, were used to determine the OFL moieties present on TiO 2 surfaces and in attendant solutions. Raman spectra indicate that the C==O (ketone) group of the quinolone core, the NH + of the piperazinyl ring, and CH 3 of benzoxazine core are the most active in sorption onto the TiO 2 surface. Raman spectra also show that the sorbed benzoxazine–quinolone core and piperazinyl moieties are readily desorbed from the surface by re-suspending samples in water. Importantly, we found that OFL could be degraded by reacting with TiO 2 even in the dark. Complementary LC/MS analysis of the attendant supernatants indicates the presence of de-piperazinylated and de-carboxylated OFL breakdown products in supernatant solutions. Together, both Raman and LC/MS analyses indicate that TiO 2 breaks the compound into piperazinyl and carboxylate groups which attach to the surface, whereas de-carboxylated and hydroxylated quinolone moieties remain in solution. Finally, the present study thus identifies the sorption mechanisms and breakdown products of OFL during dark reactions with TiO 2 , which is critically important for understanding the fate and transport of OFL as it enters the soil and aquatic environment.

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

PySAGES: flexible, advanced sampling methods accelerated with GPUs

Abstract Molecular simulations are an important tool for research in physics, chemistry, and biology. The capabilities of simulations can be greatly expanded by providing access to advanced sampling methods and techniques that permit calculation of the relevant underlying free energy landscapes. In this sense, software that can be seamlessly adapted to a broad range of complex systems is essential. Building on past efforts to provide open-source community-supported software for advanced sampling, we introduce PySAGES, a Python implementation of the Software Suite for Advanced General Ensemble Simulations (SSAGES) that provides full GPU support for massively parallel applications of enhanced sampling methods such as adaptive biasing forces, harmonic bias, or forward flux sampling in the context of molecular dynamics simulations. By providing an intuitive interface that facilitates the management of a system’s configuration, the inclusion of new collective variables, and the implementation of sophisticated free energy-based sampling methods, the PySAGES library serves as a general platform for the development and implementation of emerging simulation techniques. The capabilities, core features, and computational performance of this tool are demonstrated with clear and concise examples pertaining to different classes of molecular systems. We anticipate that PySAGES will provide the scientific community with a robust and easily accessible platform to accelerate simulations, improve sampling, and enable facile estimation of free energies for a wide range of materials and processes.

Chemistry↗
DOE OSTI2017

Human age and skin physiology shape diversity and abundance of Archaea on skin

The human skin microbiome acts as an important barrier protecting our body from pathogens and other environmental influences. Recent investigations have provided evidence that Archaea are a constant but highly variable component of the human skin microbiome, yet factors that determine their abundance changes are unknown. Here, we tested the hypothesis that the abundance of archaea on human skin is influenced by human age and skin physiology by quantitative PCR of 51 different skin samples taken from human subjects of various age. Our results reveal that archaea are more abundant in human subjects either older than 60 years or younger than 12 years as compared to middle-aged human subjects. These results, together with results obtained from spectroscopy analysis, allowed us gain first insights into a potential link of lower sebum levels and lipid content and thus reduced skin moisture with an increase in archaeal signatures. In conclusion, amplicon sequencing of selected samples revealed the prevalence of specific eury- and mainly thaumarchaeal taxa, represented by a core archaeome of the human skin.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Atomic-layer deposited thulium oxide as a passivation layer on germanium

A comprehensive study of atomic-layer deposited thulium oxide (Tm{sub 2}O{sub 3}) on germanium has been conducted using x-ray photoelectron spectroscopy (XPS), vacuum ultra-violet variable angle spectroscopic ellipsometry, high-resolution transmission electron microscopy (HRTEM), and electron energy-loss spectroscopy. The valence band offset is found to be 3.05 ± 0.2 eV for Tm{sub 2}O{sub 3}/p-Ge from the Tm 4d centroid and Ge 3p{sub 3/2} charge-corrected XPS core-level spectra taken at different sputtering times of a single bulk thulium oxide sample. A negligible downward band bending of ∼0.12 eV is observed during progressive differential charging of Tm 4d peaks. The optical band gap is estimated from the absorption edge and found to be 5.77 eV with an apparent Urbach tail signifying band gap tailing at ∼5.3 eV. The latter has been correlated to HRTEM and electron diffraction results corroborating the polycrystalline nature of the Tm{sub 2}O{sub 3} films. The Tm{sub 2}O{sub 3}/Ge interface is found to be rather atomically abrupt with sub-nanometer thickness. In addition, the band line-up of reference GeO{sub 2}/n-Ge stacks obtained by thermal oxidation has been discussed and derived. The observed low reactivity of thulium oxide on germanium as well as the high effective barriers for holes (∼3 eV) and electrons (∼2 eV) identify Tm{sub 2}O{sub 3} as a strong contender for interfacial layer engineering in future generations of scaled high-κ gate stacks on Ge.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Experimental study on the startup of the annular wick type heat pipe using fiber optical temperature measurement technique

This study used optical fiber-distributed temperature sensors to measure the internal and external temperature distributions of a water-cooled heat pipe. The sensor technology used in this study is fiber optical distributed temperature sensing, a distributed sensing technique based on the naturally occurring Rayleigh backscatter in optical fibers. This measurement technique provides maximum spatial resolution for static and semi-static applications. Using this sensor, the temperature distribution of the heat pipe's internal, external, vapor core, and the wick was measured with a spatial resolution of 0.65 mm, a sampling frequency of 40 Hz, and a temperature resolution of 0.1 °C. Through the measured temperature distribution database, the starting phenomenon, the effective length trend, and the limitation onset were observed. From the results, it is found that a high-temperature peak appears at the evaporator if a high initial power (75 W) is imposed on the heat pipe, even after the heat pipe approaches the normal operating status. The peak is not observed in a slower startup (30 W initial power then slowly increased to 75 W). It is also found that the temperature distributions and effective condenser length of the heat pipe highly depend on the cooling conditions. There are variations in the temperature according to the radial direction of the horizontal heat pipe due to gravity. In conclusion, lead and lag of the temperature evolution were observed at the onset of the operating limitations.

42 ENGINEERING↗
DOE OSTI2023

Fe 3+ /Fe T ratios of amphiboles determined by high spatial resolution single-crystal synchrotron Mössbauer spectroscopy

The Fe 3+ /Fe T ratios (Fe 3+ /[Fe 2+ +Fe 3+ ]) in minerals can be used to understand their crystallization and post-crystallization conditions. However, as natural minerals are often zoned and contain inclusions, bulk techniques, e.g., wet chemistry, may not provide accurate Fe 3+ /Fe T values for a single phase of interest. We determined Fe 3+ /Fe T ratios of amphiboles in different crystallographic orientations by single-crystal synchrotron Mössbauer spectroscopy (SMS) in energy and time domain modes from four volcanic localities (Long Valley Caldera, Mount St. Helens, Lassen Volcanic Center, U.S.A., and Mt. Pinatubo, Philippines). The high spatial resolution (as low as 12 × 12 μm spot size) and standard-free nature of SMS allow the detection of intra-grain compositional heterogeneities in Fe 3+ /Fe T with relatively low uncertainties. Here, we combine SMS with major element compositions, water contents, and hydrogen isotope compositions to document the Fe 3+ /Fe T ratios as a function of mineral composition and post-crystallization dehydrogenation. Spectra were fitted with up to five distinct sites: ferrous iron on M(1), M(2), M(3), and ferric iron on M(2) and M(3), consistent with X-ray diffraction studies on single crystals of amphibole. The Fe 3+ /Fe T ratios range from 0.14 ± 0.03 (Long Valley Caldera), 0.51 to 0.63 ± 0.02 (representing intra-grain heterogeneities, Mount St. Helens) to 0.86 ± 0.03 (Lassen Volcanic Center). The latter grain experienced post-crystallization dehydrogenation, shown by its low water content (0.6 ± 0.05 wt%) and its elevated hydrogen isotope composition (δD = +25 ± 3‰ relative to SMOW). The Fe 3+ /Fe T ratios of 0.62 ± 0.01 and 0.20 ± 0.01 of two Mt. Pinatubo grains correlate with high-Al 2 O 3 cores and low-Al 2 O 3 rims and smaller phenocrysts in the sample, respectively. This study shows that SMS is capable of distinguishing two different domains with dissimilar Fe 3+ /Fe T values formed under different crystallization conditions, demonstrating that SMS in combination with major element, water, and hydrogen isotope compositions allows the interpretation of amphibole Fe 3+ /Fe T ratios in the context of crystallization and post-crystallization processes.

47 OTHER INSTRUMENTATION↗