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At least 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Solute segregation and precipitation across damage rates in dual-ion–irradiated T91 steel

We report that dual-ion irradiations using 5.0 MeV defocused Fe 2+ ions and co-injected energy degraded 2.00 to 2.85 MeV He 2+ ions were conducted on a Fe9CrMo ferritic-martensitic steel T91 to 17 dpa at a damage rate range of 5 × 10 -5 dpa/s to 3 × 10 -3 dpa/s at 445°C, followed by characterization of the microstructure using conventional and scanning transmission electron microscopy. Radiation induced Ni/Si clusters and radiation induced segregation were quantified using energy dispersive X-ray spectroscopy at each condition and were compared with the same material irradiated in the BOR-60 reactor and in the as-received condition. No significant Cr segregation was found at lath boundaries after dual-ion irradiation, while Ni and Si enrichments both decreased with increasing damage rate leading to a sharp decrease in the density of Ni/Si clusters with damage rate. Increased point defect recombination at higher ion damage rates likely reduced the Ni/Si cluster density compared with BOR-60. Although the overall vacancy concentration and diffusion are enhanced by the irradiation damage rate, the lack of time for thermal diffusion and ballistic displacements of solutes are significant limiting factors for Ni/Si cluster formation. This work demonstrates the effect of irradiation damage rate on elemental segregation and clustering when using ion irradiation to simulate reactor irradiation.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Electronic structure and topology across T c in the magnetic Weyl semimetal Co 3 Sn 2 S 2

Co 3 Sn 2 S 2 is a magnetic Weyl semimetal, in which ferromagnetic ordering at 177 K is predicted to stabilize Weyl points. We perform temperature and spatial dependent angle--resolved photoemission spectroscopy measurements through the Curie temperature (T c ), which show large band shifts and renormalization concomitant with the onset of magnetism. We argue that Co 3 Sn 2 S 2 evolves from a Mott ferromagnet below T c to a correlated metallic state above T c . To understand the magnetism, we derive a tight-binding model of Co-3d x 2 -y 2 orbitals on the kagome lattice. At the filling obtained by first-principles calculations, this model reproduces the ferromagnetic ground state, and results in the reduction of Coulomb interactions due to cluster effects. Using a disordered local moment simulation, we show how this reduced Hubbard U leads to a collapse of the bands across the magnetic transition, resulting in a correlated state which carries associated characteristic photoemission signatures that are distinct from those of a simple lifting of exchange splitting. Finally, the behavior of topology across T c is discussed in the context of this description of the magnetism.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

An Octacarboxylate-Linked Sodium Metal–Organic Framework with High Porosity

Alkali metal-based metal-organic frameworks (MOFs) with permanent porosity are scarce because of their high tendency to coordinate with solvents such as water. However, these MOFs are lightweight and bear gravimetric benefits for gas adsorption related applications. In this paper, we present the successful construction of a microporous MOF, designated as HIAM-111, built solely on sodium ions using an octacarboxylate linker. The structure of HIAM-111 is based on 8-connected Na4 clusters and exhibits a novel topology with an underlying 3 2 ,4 2 ,8-c net. Remarkably, HAM-111 possesses a robust and highly porous framework, with a BET surface area of 1561 m 2 /g, significantly surpassing that of the previously reported Na-MOFs. Further investigations demonstrate that HIAM-111 is capable of separating C 2 H 2 /CO 2 and purifying C 2 H 4 directly from C 2 H 4 /C 2 H 2 /C 2 H 6 with high adsorption capacities. The current work may shed light on the rational design of robust and porous MOFs based on alkali metals.

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

Venturing Past Uranium: Synthesis of a Np(IV) Polyoxomolybdate–Alkoxide Sandwich Complex

The synthesis of a Np(IV) polyoxomolybdate– alkoxide sandwich complex, (TBA) 2 [Np{Mo 5 O 13 (OMe) 4 NO} 2 ] (TBA = tetrabutylammonium), is reported. This compound represents a rare example of a neptunium polyoxometalate cluster isolated outside of water, allowing for characterization of its electrochemical properties in nonaqueous solvents. Complexation of An(IV) cations fine-tunes the redox properties of the cluster, with the observed four reversible reductive events varying slightly both in potential and peak separation depending on the actinide present. The new Np(IV) complex also shows an irreversible event assigned to oxidation of Np(IV) to Np(V). New methodology for facile 17 O enrichment of (TBA) 2 [Mo 5 O 13 (OMe) 4 NO][Na(MeOH)] is presented, which provides a simple pathway to 17 O enriched analogues of the sandwich complexes discussed (Zr(IV), Hf(IV), Th(IV), U(IV), U(V), Np(IV)). 17 O NMR spectroscopy subsequently provides insights into both the nature of metal–oxygen bonding, as well as the influence of unpaired f-electrons on the local environment of the oxygen nuclei.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1995

Constraints on the formation history of the elliptical galaxy NGC 3923 from the colors of its globular clusters

We present a study of the colors of globular clusters associated with the elliptical galaxy NGC 3923. Our final sample consists of Wasington system C and T(sub 1) photometry for 143 globular cluster candidates with an expected contamination of no more than 10%. We find that the color distribution of the NGC 3923 globular cluster system (GCS) is broad and appears to have at least two peaks. A mixture modeling analysis of the color distribution indicates that a two-component model is favored over a single-component one at a high level of confidence (greater than 99%). This evidence for more than one population in the GCS of NGC 3923 is similar to that previously noted for the four other elliptical galaxies for which similar data have been published. Furthermore, we find that the NGC 3923 GCS is redder than the GCSs of previously studed elliptical galaxies of similar luminosity. The median metallicity inferred from our (C-(T(sub 1)))(sub 0) colors is (Fe/H)(sub med) = -0.56, with an uncertainty of 0.14 dex arising from all sources of uncertainty in the mean color. This is more metal rich than the median metallicity found for the GCS of M87 using the same method, (Fe/H)(sub med) = -0.94. Since M87 is more luminous than NGC 3923, this result points to significant scatter about any trend of higher GCS metallicity with increasing galaxy luminosity. We also show that there is a color gradient in the NGC 3923 GCS corresponding to about -0.5 dex in Delta(Fe/H)/Delta(log r). We conclude that the shape of the color distribution of individual GCSs and the variation in mean color among the GCSs of ellipticals are difficult to understand if elliptical galaxies are formed in a single protogalactic collapse. Models in which ellipticals and their globular clusters are formed in more than one event, such as a merger scenario, are more successful in accounting for these observations.

Zepf, Stephen E.↗
DOE OSTI2020

TOI-503: The First Known Brown-dwarf Am-star Binary from the TESS Mission

We report the discovery of an intermediate-mass transiting brown dwarf (BD), TOI-503b, from the TESS mission. TOI-503b is the first BD discovered by TESS, and it has circular orbit around a metallic-line A-type star with a period of P = 3.6772 ± 0.0001 days. The light curve from TESS indicates that TOI-503b transits its host star in a grazing manner, which limits the precision with which we measure the BD’s radius (R{sub b}=1.34{sub −0.15}{sup +0.26}R{sub J}). We obtained high-resolution spectroscopic observations with the FIES, Ondřejov, PARAS, Tautenburg, and TRES spectrographs, and measured the mass of TOI-503b to be M {sub b} = 53.7 ± 1.2 M{sub J}. The host star has a mass of M {sub ⋆} = 1.80 ± 0.06 M {sub ⊙}, a radius of R {sub ⋆} = 1.70 ± 0.05R {sub ⊙}, an effective temperature of T {sub eff} = 7650 ± 160 K, and a relatively high metallicity of 0.61 ± 0.07 dex. We used stellar isochrones to derive the age of the system to be ∼180 Myr, which places its age between that of RIK 72b (a ∼10 Myr old BD in the Upper Scorpius stellar association) and AD 3116b (a ∼600 Myr old BD in the Praesepe cluster). Given the difficulty in measuring the tidal interactions between BDs and their host stars, we cannot precisely say whether this BD formed in situ or has had its orbit circularized by its host star over the relatively short age of the system. Instead, we offer an examination of plausible values for the tidal quality factor for the star and BD. TOI-503b joins a growing number of known short-period, intermediate-mass BDs orbiting main-sequence stars, and is the second such BD known to transit an A star, after HATS-70b. With the growth in the population in this regime, the driest region in the BD desert (35--55M{sub J}sin i) is reforesting.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Anomalous thickness-dependent electrical conductivity in van der Waals layered transition metal halide, Nb 3 Cl 8

Understanding the electronic transport properties of layered, van der Waals transition metal halides (TMHs) and chalcogenides is a highly active research topic today. Of particular interest is the evolution of those properties with changing thickness as the 2D limit is approached. Here, we present the electrical conductivity of exfoliated single crystals of the TMH, cluster magnet, Nb 3 Cl 8 , over a wide range of thicknesses both with and without hexagonal boron nitride (hBN) encapsulation. The conductivity is found to increase by more than three orders of magnitude when the thickness is decreased from 280 µm to 5 nm, at 300 K. At low temperatures and below ~50 nm, the conductance becomes thickness independent, implying surface conduction is dominating. Temperature dependent conductivity measurements indicate Nb 3 Cl 8 is an insulator, however, the effective activation energy decreases from a bulk value of 310 meV to 140 meV by 5 nm. X-ray photoelectron spectroscopy (XPS) shows mild surface oxidation in devices without hBN capping, however, no significant difference in transport is observed when compared to the capped devices, implying the thickness dependent transport behavior is intrinsic to the material. A conduction mechanism comprised of a higher conductivity surface channel in parallel with a lower conductivity interlayer channel is discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1991

Star formation in globular clusters and dwarf galaxies and implications for the early evolution of galaxies

Based upon the observed properties of globular clusters and dwarf galaxies in the Local Group, we present important theoretical constraints on star formation in these systems. These constraints indicate that protoglobular cluster clouds had long dormant periods and a brief epoch of violent star formation. Collisions between protocluster clouds triggered fragmentation into individual stars. Most protocluster clouds dispersed into the Galactic halo during the star formation epoch. In contrast, the large spread in stellar metallicity in dwarf galaxies suggests that star formation in their pregenitors was self-regulated: we propose the protocluster clouds formed from thermal instability in the protogalactic clouds and show that a population of massive stars is needed to provide sufficient UV flux to prevent the collapsing protogalactic clouds from fragmenting into individual stars. Based upon these constraints, we propose a unified scenario to describe the early epochs of star formation in the Galactic halo as well as the thick and thin components of the Galactic disk.

Lin, Douglas N. C.↗
NASA NTRS1993

Simulations of Deep Galaxy Fields I: Monte-Carlo Simulations of Optical and Near Infrared Counts

Monte-Carlo simulations of three dimensional galaxy distributions are performed, following the prescription of Chokishi & Wright (1988), to study the photometric properties of evolving galaxy populations in the optical and near infrared bands to high redshifts. Galaxies are spatially distributed according to the spatial two point correlation function in a range of cluster to field environments andin volume elements appropriate to the cosmological model under consideration. Details of individual galaxy properties, including luminosities, morphologies, disk-to-bulge ratios, and size distributions are simulated to match local observed galaxy properties. Galaxies have evolving gas fraction, metallicity and spectral energy distributions that include both stellar emission and internal dust absorption and re-emission. The simulations result in noiseless two dimensional galaxy distributions on the sky that canbe compared to the observed deep images in the blue and near-infrared bands...

faint↗
DOE OSTI2025

Simulations of Attosecond Metallization in Quartz and Diamond Probed with Inner-Shell Transient Absorption Spectroscopy

When dielectrics are hit with intense infrared (IR) laser pulses, transient metalization can occur. The initial attosecond dynamics behind this metallization are not entirely understood. Therefore, simulations are needed to understand this process and to help interpret experimental observations of it, such as with attosecond transient absorption (ATA). In this paper, we present first-principles simulations of ATA based on bulk-mimicking clusters and real-time time-dependent density functional theory (RT-TDDFT), with Koopmans-tuned range-separated hybrid functionals and Gaussian basis sets. Our method gives good agreement with the experiment for the breakdown threshold in silica and diamond. This breakdown voltage corresponds to a Keldysh parameter of approximately one and thus involves a transition to a regime where the dynamics are driven by tunneling. Pumping at an amplitude just below this value causes a mixture of multiphoton and tunneling excitations across the band gap to occur. The computed extreme ultraviolet and X-ray attosecond transient spectra also agree well with the experiment and show a decrease in optical density due to the transient population of the conduction band from the IR field. First-principles approaches such as this are valuable for interpreting the complicated modulations in a spectrum and for guiding future attosecond experiments on solids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Ab initio study of short-range ordering in vanadium-based disordered rocksalt structures

Disordered rocksalt Li-excess (DRX) compounds are attractive new cathode materials for Li-ion batteries as they contain resource-abundant metals and do not require the use of cobalt or nickel. Understanding the delithiation process and cation short-range ordering (SRO) in DRX compounds is essential to improve these promising cathode materials. Herein, we use first-principles calculations along with the cluster-expansion approach to model the disorder in DRX Li 2-x VO 3 , 0 < x < 1. We discuss the SRO of Li in tetrahedral and octahedral sites, and the order in which Li delithiates and V oxidizes with respect to local environments. We reveal that the number of nearest-neighbor V dictates the order of delithiation from octahedral sites and that V is oxidized in a manner that minimizes the electrostatic interactions among V. In conclusion, our results provide valuable insight for tailoring the performance of V-based DRX cathode materials in general by controlling the SRO features that reduce energy density.

36 MATERIALS SCIENCE↗
NASA NTRS1993

A comparison of the near-infrared spectral features of early-type galaxies in the Coma Cluster, the Virgo cluster and the field

Earlier researchers derived the relative distance between the Coma and Virgo clusters from color-magnitude relations of the early-type galaxies in each cluster. They found that the derived distance was color-dependent and concluded that the galaxies of similar luminosity in the two clusters differ in their red stellar populations. More recently, the color-dependence of the Coma-Virgo distance modulus has been called into question. However, because these two clusters differ so dramatically in their morphologies and kinematics, it is plausible that the star formation histories of the member galaxies also differed. If the conclusions of earlier researchers are indeed correct, then some signature of the resulting stellar population differences should appear in the near-infrared and/or infrared light of the respective galaxies. We have collected near-infrared spectra of 17 Virgo and 10 Coma early-type galaxies; this sample spans about four magnitudes in luminosity in each cluster. Seven field E/S0 galaxies have been observed for comparison. Pseudo-equivalent widths have been measured for all of the field galaxies, all but one of the Virgo members, and five of the Coma galaxies. The features examined are sensitive to the temperature, metallicity, and surface gravity of the reddest stars. A preliminary analysis of these spectral features has been performed, and, with a few notable exceptions, the measured pseudo-equivalent widths agree well with previously published values.

Houdashelt, Mark L.↗
DOE OSTI2025

Stellar population and metal production in AGN discs

ABSTRACT As gravitational wave detections increase the number of observed compact binaries (consisting of neutron stars or blacks), we begin to probe the different conditions producing these binaries. Most studies of compact remnant formation focus either on stellar collapse from the evolution of field binary stars in gas-free environments or on the formation of stars in clusters where dynamical interactions capture the compact objects, forming binaries. But a third scenario exists. In this paper, we study the fate of massive stars formed, accrete gas, and evolve in the dense discs surrounding supermassive black holes. We calculate the explosions produced and compact objects formed by the collapse of these massive stars. Nucleosynthetic yields may provide an ideal, directly observable, diagnostic of the formation and fate of these stars in active galactic nuclei. We present a first study of the explosive yields from these stars, comparing these yields with the observed nucleosynthetic signatures in the discs around supermassive stars with quasars. We show that, even though these stars tend to form black holes, their rapid rotation leads to discs that can eject a considerable amount of iron during the collapse of the star. The nucleosynthetic yields from these stars can produce constraints on the number of systems formed in this manner, but further work is needed to exploit variations from the initial models presented in this paper.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Significance of pH and iron-sulfur chemistry for molybdenum sequestration under sulfidic conditions

Molybdenum (Mo), a redox-sensitive trace metal, plays an important role in recording ancient oxygenation and deoxygenation events as a paleoredox proxy. The mobility and reactivity of Mo in aqueous conditions are closely tied to the chemistry of reduced sulfur and iron species. However, our current knowledge on the formation, structure, stability, and condensation pathways of FeMoS clusters in aqueous settings remains limited, which has driven the current study. In this study, we conducted systematic experiments investigating the interactions between dissolved Mo (initially introduced as molybdate, MoO 4 2– , or tetrathiomolybdate, MoS 4 2– ), ferrous iron (Fe 2+ ), and sulfide (ΣH 2 S aq ) in variously defined abiotic sulfidic systems to determine the external conditions (i.e., pH, and reactant concentrations and ratios) necessary for the formation of solid-phase Fe-Mo sulfides. Solution samples of each system were monitored using ultraviolet-visible spectroscopy (UV–vis) to track the degree of thiolation of dissolved Mo species. Precipitates were analyzed using X-ray photoelectron spectroscopy (XPS) and transmission electron microscopy (TEM) to determine their elemental compositions and valences, and structure (i.e., crystalline or amorphous), respectively. All FeMoS precipitates were amorphous and contained 76–90% Mo(IV) and 10–24% Mo(V) with a trend toward lower Mo(IV):Mo(V) ratios with increasing pH. The degree of Mo thiolation, which was strongly dependent on solution pH and Fe 2+ concentrations, greatly affected the amount of Mo sequestered (i.e., an increased degree of Mo thiolation in solution led to an increased amount of Mo in the final FeMoS precipitate). Furthermore, these findings suggest that changes in pH and Fe 2+ concentrations may be responsible for the sulfide-independent variations in Mo behavior observed in euxinic basins.

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

A strong blend in the morning: studying the circumgalactic medium before cosmic noon with strong, blended Ly α forest systems

ABSTRACT We study of the properties of a new class of circumgalactic medium absorbers identified in the Ly α forest: ‘Strong, Blended Lyman-α’ (or SBLA) absorption systems. We study SBLAs at 2.4 < z < 3.1 in SDSS-IV/eBOSS spectra by their strong extended Ly α absorption complexes covering 138 $\, \, {\rm km}\, {\rm s}^{-1}$ with an integrated $\log (N_{\rm H\, {\small I}}/\mathrm{cm}^{-2}) =16.04$$\substack{+0.05 \\ -0.06}$ and Doppler parameter b = 18.1$\substack{+0.7 \\ -0.4}$$\, \, {\rm km}\, {\rm s}^{-1}$. Clustering with the Ly α forest provides a large-scale structure bias of b = 2.34 ± 0.06 and halo mass estimate of $M_h \approx 10^{12}\, h^{-1}\, {\rm M_{\odot }}$ for our SBLA sample. We measure the ensemble mean column densities of 22 metal features in the SBLA composite spectrum and find that no single-population multiphase model for them is viable. We therefore explore the underlying SBLA population by forward modelling the SBLA absorption distribution. Based on covariance measurements and favoured populations we find that ≈25 per cent of our SBLAs have stronger metals. Using silicon only we find that our strong metal SBLAs trace gas with a log (nH/cm−3) > −2.40 for T = 103.5 K and show gas clumping on <210 parsec scales. We fit multiphase models to this strong subpopulation and find a low ionization phase with nH = 1 cm−3, T = 103.5 K, and [X/H] = 0.8, an intermediate ionization phase with log (nH/cm−3) = −3.05, T = 103.5 K and [X/H] = −0.8, and a poorly constrained higher ionization phase. We find that the low ionization phase favours cold, dense super-solar metallicity gas with a clumping scale of just 0.009 parsecs.

Morrison, Sean (ORCID:0000000267702627)↗
DOE OSTI2020

Physiology of Highly Radioresistant Escherichia coli After Experimental Evolution for 100 Cycles of Selection

Ionizing radiation (IR) is lethal to most organisms at high doses, damaging every cellular macromolecule via induction of reactive oxygen species (ROS). Utilizing experimental evolution and continuing previous work, we have generated the most IR-resistant Escherichia coli populations developed to date. After 100 cycles of selection, the dose required to kill 99% the four replicate populations (IR9-100, IR10-100, IR11-100, and IR12-100) has increased from 750 Gy to approximately 3,000 Gy. Fitness trade-offs, specialization, and clonal interference are evident. Long-lived competing sub-populations are present in three of the four lineages. In IR9, one lineage accumulates the heme precursor, porphyrin, leading to generation of yellow-brown colonies. Major genomic alterations are present. IR9 and IR10 exhibit major deletions and/or duplications proximal to the chromosome replication terminus. Contributions to IR resistance have expanded beyond the alterations in DNA repair systems documented previously. Variants of proteins involved in ATP synthesis (AtpA), iron-sulfur cluster biogenesis (SufD) and cadaverine synthesis (CadA) each contribute to IR resistance in IR9-100. Major genomic and physiological changes are emerging. An isolate from IR10 exhibits protein protection from ROS similar to the extremely radiation resistant bacterium Deinococcus radiodurans, without evident changes in cellular metal homeostasis. Selection is continuing with no limit to IR resistance in evidence as our E. coli populations approach levels of IR resistance typical of D. radiodurans.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2023

RR Lyrae Mid-infrared Period–Luminosity–Metallicity and Period–Wesenheit–Metallicity Relations Based on Gaia DR3 Parallaxes

We present new empirical infrared period–luminosity–metallicity (PLZ) and period–Wesenheit–metallicity (PWZ) relations for RR Lyae based on the latest Gaia Early Data Release 3 (EDR3) parallaxes. The relations are provided in the Wide-field Infrared Survey Explorer (WISE) W1 and W2 bands, as well as in the W(W1, V - W1) and W(W2, V - W2) Wesenheit magnitudes. The relations are calibrated using a very large sample of Galactic halo field RR Lyrae stars with homogeneous spectroscopic [Fe/H] abundances (over 1000 stars in the W1 band), covering a broad range of metallicities (-2.5 ≲ [Fe/H] ≲ 0.0). We test the performance of our PLZ and PWZ relations by determining the distance moduli of both galactic and extragalactic stellar associations: the Sculptor dwarf spheroidal galaxy in the Local Group (finding ${\bar{\mu }}_{0}=19.47\pm 0.06$ ), the Galactic globular clusters M4 (${\bar{\mu }}_{0}=11.16\pm 0.05$ ), and the Reticulum globular cluster in the Large Magellanic Cloud (${\bar{\mu }}_{0}=18.23\pm 0.06$ ). The distance moduli determined through all our relations are internally self-consistent (within ≲0.05 mag) but are systematically smaller (by ~2–3σ) than previous literature measurements taken from a variety of methods/anchors. However, a comparison with similar recent RR Lyrae empirical relations anchored with EDR3 likewise shows, to varying extents, a systematically smaller distance modulus for PLZ/PWZ RR Lyrae relations.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1986

Characterization of biogenic elements in interplanetary dust particles

Those particles that were designated cometary are aggregates of amorphous materials including carbon, iron-magnesium silicates, sulfides, metal and trace amounts of unusual phases. Most aggregates are carbon-rich with major and minor element abundances similar to a fine grained matrix of carbonaceous chondrites. Several particles were analyzed by a laser microprobe. The negative ionic species identified to date include carbon clusters, protonated carbon clusters, CN-, HCN-, CNO-, PO2-, PO3-, S-, S2- asnd OH-. These species are similar to those observed in cometary spectra and they support the assumption that organic materials are present. The occurance of phosphate ions suggests the presence of apatite or whitlockite. Cometary particle characteristics may indicate that the component grains represent primitive unaltered dust whose overall properties are extremely similar to altered primitive dust in carbonaceous chondrites.

Bunch, T. E.↗