Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Metal clusters”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,387 records · Page 77
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

The chronology of the formation of the Galaxy

Recent advances in our understanding of horizontal-branch (HB) stars and in precision CCD photometry make it possible to establish a chronology of the formation of the Galaxy from the fossil record. The Lee et al. HB evolutionary models and the inferred age-metallicity relation of the Galactic globular-cluster system are now strengthened by many pieces of supporting evidence. This provides valuable information regarding the formation chronology of the halo and disk. Moreover, there is strong evidence from RR Lyrae stars that the radial variation in HB morphology observed in the halo continues to the very center of the Galaxy, which suggests that the formation of the bulge and halo was an inside-out process. These two crucial pieces of information are combined to extend the Searle and Zinn picture of halo formation to include the formation of the bulge and disk. The emerging picture is consistent with the idea that galaxies formed as clusters and mergers of many small gas-rich subsystems, rather than by the rapid collapse of single large protogalactic clouds.

Lee, Young-Wook↗
NASA NTRS1992

The ultraviolet-bright stars of Omega Centauri, M3, and M13

Two new UV-bright stars detected within 2 arcmin of the center of Omega Cen are spectroscopically investigated with the short-wavelength spectrograph of the IUE. The IUE spectra of the UV-bright stars UIT-1 and UIT-2 in the core of Omega Cen superficially resemble those of Population I mid-B stars. The absorption lines of the core UV-bright stars are significantly weaker than in Population I stars, consistent with their membership in the cluster. Synthetic spectra calculated from low-metallicity Kurucz model stellar atmospheres are compared with the spectra. These objects are insufficiently luminous to be classical hydrogen-burning post-AGB stars. They may be evolved hot horizontal branch stars which have been brightened by more than 3 mag since leaving the zero-age horizontal branch. It is inferred from the spectra and luminosity of the core UV-bright stars that similar objects could provide the source of the UV light in elliptical galaxies.

Landsman, Wayne B.↗
DOE OSTI2025

Efficient Modeling of Structural, Electronic, and Optical Properties of Silver and Gold Metal Nanoclusters and Alloys Using Optimized SCC-DFTB Parameters

Computation of optical properties using conventional time-dependent density functional theory (TD-DFT) is time-consuming and memory-intensive. In this study, we investigate the accuracy and efficiency of the density functional tight binding (DFTB) framework with newly optimized Slater–Koster (SK) parameters for modeling the structural, electronic properties, and absorption spectra of silver and gold nanoclusters and their alloys. Our investigation of the ground state (GS) properties demonstrates that the newly developed GS-SK parameters enable DFTB to closely approximate DFT-calculated bond lengths for octahedron, tetrahedron, icosahedra, and truncated octahedron with sizes Ag n /Au n (n = 19, 20, 38, 55), nanoclusters and Ag 20 /Au 20 nanoalloys, with a maximum deviation of approximately 0.15 Å. Formation energy results indicate that the GS-SK parameters can closely estimate changes in formation energies with alloy composition, and the comparison of electronic structures for Ag 20 , Au 20 , and AgAu alloy nanoclusters using the DFTB approximation reveals good agreement in the projected density of states (DOS) profiles and energy levels. A second set of SK parameters, ES-SK, has been developed to describe excited state (ES) properties, including the absorption spectra of silver octahedron Ag 19 , tetrahedral Ag n (n = 20, 56, 84), truncated octahedron Ag 38 , and icosahedra Ag 55 closed-shell clusters and their gold and alloy counterparts over a broad range of alloy compositions. This parametrization uses TD-DFTB calculations and fine-tunes the d and p eigenvalues by comparing them to reference absorption spectra from first-principles TD-DFT. This enables the generation of absorption spectra that closely match the reference spectra when plasmon excitation is dominant, as demonstrated by studying the plasmonic properties of icosahedral Ag n and Au n (n = 309 and 561) nanoparticles. This includes the rapid loss in plasmon quality when Au partially replaces Ag in alloy clusters. Furthermore, these results provide a foundation for addressing computational bottlenecks in plasmonics and with new prospects for applications in the quantum plasmonics for bimetallic alloys.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2004

Spatial Distributions of Metal Atoms During Carbon SWNTs Formation: Measurements and Modelling

Experiments and modelling have been undertaken to clarify the role of metal catalysts during single-wall carbon nanotube formation. For instance, we wonder whether the metal catalyst is active as an atom, a cluster, a liquid or solid nanoparticle [1]. A reactor has been developed for synthesis by continuous CO2-laser vaporisation of a carbon-nickel-cobalt target in laminar helium flow. The laser induced fluorescence technique [2] is applied for local probing of gaseous Ni, Co and CZ species throughout the hot carbon flow of the target heated up to 3500 K. A rapid depletion of C2 in contrast to the spatial extent of metal atoms is observed in the plume (Fig. 1). This asserts that C2 condenses earlier than Ni and Co atoms.[3, 4]. The depletion is even faster when catalysts are present. It may indicate that an interaction between metal atoms and carbon dimers takes place in the gas as soon as they are expelled from the target surface. Two methods of modelling are used: a spatially I-D calculation developed originally for the arc process [5], and a zero-D time dependent calculation, solving the chemical kinetics along the streamlines [6]. The latter includes Ni cluster formation. The peak of C2 density is calculated close to the target surface where the temperature is the highest. In the hot region, C; is dominant. As the carbon products move away from the target and mix with the ambient helium, they recombine into larger clusters, as demonstrated by the peak of C5 density around 1 mm. The profile of Ni-atom density compares fairly well with the measured one (Fig. 2). The early increase is due to the drop of temperature, and the final decrease beyond 6 mm results from Ni cluster formation at the eutectic temperature (approx.1600 K).

Cau, M.↗
DOE OSTI2017

Investigating the Relation between Galaxy Properties and the Gaussianity of the Velocity Distribution of Groups and Clusters

We investigate the dependence of stellar population properties of galaxies on group dynamical stage for a subsample of the Yang catalog. We classify groups according to their galaxy velocity distribution into Gaussian (G) and Non-Gaussian (NG). Using two totally independent approaches, we have shown that our measurement of Gaussianity is robust and reliable. Our sample covers Yang’s groups in the redshift range 0.03 ≤ z ≤ 0.1, with mass ≥ 10{sup 14}M{sub ⊙}. The new method, called Hellinger Distance, to determine whether a group has a velocity distribution Gaussian or NG is very effective in distinguishing between the two families. NG groups present halo masses higher than the G ones, confirming previous findings. Examining the skewness and kurtosis of the velocity distribution of G and NG groups, we find that faint galaxies in NG groups are mainly infalling, for the first time, into the groups. We show that considering only faint galaxies in the outskirts; those in NG groups are older and more metal-rich than those in G groups. Also, examining the Projected Phase Space of cluster galaxies, we see that bright and faint galactic systems in G groups are in dynamical equilibrium—which does not seem to be the case in NG groups. These findings suggest that NG systems have a higher infall rate, assembling more galaxies that have experienced preprocessing before entering the group.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Properties of Ammonium Ion–Water Clusters: Analyses of Structure Evolution, Noncovalent Interactions, and Temperature and Humidity Effects

Although ammonium ion–water clusters are abundant in the biosphere, some information regarding these clusters, such as their growth route, the influence of temperature and humidity, and the concentrations of various hydrated clusters, is lacking. In this study, theoretical calculations are performed on ammonium ion–water clusters. These theoretical calculations are focused on determining the following characteristics: (1) the pattern of cluster growth; (2) the percentages of clusters of the same size at different temperatures and humidities; (3) the distributions of different isomers for the same size clusters at different temperatures; (4) the relative strengths of the noncovalent interactions for clusters of different sizes. The results suggest that the dipole moment may be very significant for the ammonium ion–water system, and some new stable isomers were found. The nucleation of ammonium ions and water molecules is favorable at low temperatures; thus, the clusters observed at high altitudes might not be present at low altitudes. High humidity can contribute to the formation of large ammonium ion–water clusters, whereas the formation of small clusters may be favorable under low-humidity conditions. The potential energy surfaces (PES) of these different sized clusters are complicated and differ according to the distribution of isomers at different temperatures. Some similar structures are observed between NH4+(H2O)n and M(H2O)n (where M represents an alkali metal ion or water molecule); when n = 8, the clusters begin to form the closed-cage geometry. As the cluster size increases, these interactions become progressively weaker. The successive binding energy at the DF-MP2-F12/VDZ-F12 level is better than that at the PW91PW91/6-311++G(3df, 3pd) level and is consistent with the experimentally determined values.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2015

Spectral energy distributions and masses of 304 M31 old star clusters

This paper presents CCD multicolor photometry for 304 old star clusters in the nearby spiral galaxy M31, from which the photometry of 55 star clusters is first obtained. The observations were carried out as a part of the Beijing–Arizona–Taiwan–Connecticut Multicolor Sky Survey from 1995 February to 2008 March, using 15 intermediate-band filters covering 3000–10000 Å. Detailed comparisons show that our photometry is in agreement with previous measurements. Based on the ages and metallicities from Caldwell et al. and the photometric measurements here, we estimated the clusters’ masses by comparing their multicolor photometry with stellar population synthesis models. The results show that the sample clusters have masses between ∼3×10{sup 4}M{sub ⊙} and ∼10{sup 7}M{sub ⊙} with a peak of ∼4×10{sup 5}M{sub ⊙}. The masses here are in good agreement with those in previous studies. Combined with the masses of young star clusters of M31 from Wang et al., we find that the peak mass of the old clusters is 10 times that of young clusters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Automated Classification and Analysis of Non-metallic Inclusion Data Sets

The aim of this study is to utilize principal component analysis (PCA), clustering methods, and correlation analysis to condense and examine large, multivariate data sets produced from automated analysis of non-metallic inclusions. Non-metallic inclusions play a major role in defining the properties of steel and their examination has been greatly aided by automated analysis in scanning electron microscopes equipped with energy dispersive X-ray spectroscopy. The methods were applied to analyze inclusions on two sets of samples: two laboratory-scale samples and four industrial samples from a near-finished 4140 alloy steel components with varying machinability. The laboratory samples had well-defined inclusions chemistries, composed of MgO-Al{sub 2}O{sub 3}-CaO, spinel (MgO-Al{sub 2}O{sub 3}), and calcium aluminate inclusions. The industrial samples contained MnS inclusions as well as (Ca,Mn)S + calcium aluminate oxide inclusions. PCA could be used to reduce inclusion chemistry variables to a 2D plot, which revealed inclusion chemistry groupings in the samples. Clustering methods were used to automatically classify inclusion chemistry measurements into groups, i.e., no user-defined rules were required.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Complexity of many-body interactions in transition metals via machine-learned force fields from the TM23 data set

Abstract This work examines challenges associated with the accuracy of machine-learned force fields (MLFFs) for bulk solid and liquid phases ofd-block elements. In exhaustive detail, we contrast the performance of force, energy, and stress predictions across the transition metals for two leading MLFF models: a kernel-based atomic cluster expansion method implemented using sparse Gaussian processes (FLARE), and an equivariant message-passing neural network (NequIP). Early transition metals present higher relative errors and are more difficult to learn relative to late platinum- and coinage-group elements, and this trend persists across model architectures. Trends in complexity of interatomic interactions for different metals are revealed via comparison of the performance of representations with different many-body order and angular resolution. Using arguments based on perturbation theory on the occupied and unoccupieddstates near the Fermi level, we determine that the large, sharpddensity of states both above and below the Fermi level in early transition metals leads to a more complex, harder-to-learn potential energy surface for these metals. Increasing the fictitious electronic temperature (smearing) modifies the angular sensitivity of forces and makes the early transition metal forces easier to learn. This work illustrates challenges in capturing intricate properties of metallic bonding with current leading MLFFs and provides a reference data set for transition metals, aimed at benchmarking the accuracy and improving the development of emerging machine-learned approximations.

Chemistry↗
NASA NTRS1980

The contribution of young galaxies to the X-ray background

The contribution of young galaxies to the diffuse X-ray background is estimated and two mechanisms by which young galaxies may emit hard X-rays are considered. The first mechanism is direct thermal bremsstrahlung emission from a hot galactic wind powered by supernovae. Estimating mass-loss rates from galaxies by arguments based on metallicity and on the X-ray spectroscopic observations of rich clusters, it is shown that galactic winds may contribute substantially to the background. The second mechanism relies on the decreased metallicity of young galaxies to increase the number of supergiant stars and hence the numbers of hard X-ray binaries. This effect quantitatively explains the relatively large X-ray luminosity of the Magellanic clouds and also indicates that binaries in young galaxies may contribute a significant fraction of the diffuse X-ray background. Both mechanisms require that the epoch of galaxy formation be recent (redshift less than 2-3) in order to account for the observed spectral temperature (45 keV) of the hard X-ray background.

Bookbinder, J.↗
DOE OSTI2013

Magnetization of Materials in Pulsed Magnetic Fields

Magnetism has proven pivotal in the development of many technologies. From navigation compasses, imaging devices in medicine and electric motors, exploitation of the magnetic field on both the macroscopic and atomic scale has played an important role in human development. There is particular interest in the magnetic properties of materials, especially due to the incomplete understanding of why some materials behave magnetically in a specific manner. This has been motivated in some cases by the desire to engineer compounds to fulfil specific roles. One group of compounds being investigated for this purpose are known as molecular magnets, so-called as they are formed of discrete molecule-based units with metal ions providing a magnetic moment while organic or inorganic molecules bridge these metal centres. They can be large, discrete molecular clusters (referred to as 0-D molecular magnets) or long coordination networks in 1-D, 2-D or 3-D. The dimensionality here refers to the number of directions in which spins communicate: all directions (3-D), only in planes (2-D), only in chains (1-D) or no long range communication (0-D). These organometallic compounds, they are sometimes referred to as metal organic frameworks (MOFs) though there is some discrepancy in conventions in regards to whether MOFs should be different from molecular magnets. Molecular magnets offer flexible synthesis routes towards magnetic materials. Being transition complexes, ligands can be substituted to refine the magnetic properties of the final product or the metallic centre can be changed. This can be accomplished through as simple a method as different reactant ratios Materials with novel properties are also being sought such as magnetoelectric multiferroic compounds which display simultaneous ferromagnetism and ferroelectricity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Deep SOAR follow-up photometry of two Milky Way outer-halo companions discovered with Dark Energy Survey

We report the discovery of a new star cluster, DES 3, in the constellation of Indus, and deeper observations of the previously identified satellite DES J0222.7−5217 (Eridanus III). DES 3 was detected as a stellar overdensity in first-year Dark Energy Survey data, and confirmed with deeper photometry from the 4.1-m Southern Astrophysical Research (SOAR) telescope. The new system was detected with a relatively high significance and appears in the DES images as a compact concentration of faint blue point sources. We determine that DES 3 is located at a heliocentric distance of ≃76.2 kpc and it is dominated by an old (≃9.8 Gyr) and metal-poor ([Fe/H] ≃ −1.84) population. While the age and metallicity values of DES 3 are comparable to typical globular clusters (objects with a high stellar density, stellar mass of ∼10^5 M_⊙ and luminosity ∼ −7.3), its half-light radius (r_h ∼ 6.87 pc) and luminosity (M_V ∼ −1.7) are more indicative of faint star cluster. Based on the angular size, DES 3, with a value of r_h ∼ 0$${^{\prime}_{.}}$$31, is among the smallest faint star clusters known to date. Furthermore, using deeper imaging of DES J0222.7−5217 taken with the SOAR telescope, we update structural parameters and perform the first isochrone modelling. Our analysis yields the first age (≃12.6 Gyr) and metallicity ([Fe/H] ≃ −2.01) estimates for this object. The half-light radius (r_h ≃ 11.24 pc) and luminosity (M_V ≃ −2.4) of DES J0222.7−5217 suggest that it is likely a faint star cluster. The discovery of DES 3 indicates that the census of stellar systems in the Milky Way is still far from complete, and demonstrates the power of modern wide-field imaging surveys to improve our knowledge of the Galaxy’s satellite population.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Inorganic “Conductive Glass” Approach to Rendering Mesoporous Metal–Organic Frameworks Electronically Conductive and Chemically Responsive

A representative mesoporous metal–organic-framework (MOF) material, NU-1000, has been rendered electronically conductive via a robust inorganic approach that permits retention of MOF crystallinity and porosity. The approach is based on condensed-phase grafting of molecular tin species onto the MOF nodes via irreversible reaction with hydroxyl and aqua ligands presented at the node surface, a self-limiting process termed solvothermal installation (of metal ions) in MOFs (SIM, a solution-phase analog of atomic layer deposition in MOFs). Treatment of the modified MOF with aerated steam at 120 °C converts the grafted tin molecules to tetratin(IV)oxy clusters, with the clusters being sited between insulating pairs of zirconia-like nodes (the zirconium component being key to endowing the parent material with requisite chemical and thermal stability). By introducing new O–H presenting ligands on the modified-MOF node, the high-temperature steam step additionally serves to reset the material to reactive form, thus enabling a second self-limiting tin-grafting step to be run (and after further steam treatment, enabling a third). Difference-envelop-density (DED) analyses of synchrotron-derived X-ray scattering data, with and without installed tin species, show that the clusters formed after one cycle are spatially isolated, but that repetitive SIM cycling adds metal and oxygen ions in a way that enshrouds nodes, links clusters, and yields continuous one-dimensional strands of oxy-tin(IV), oriented exclusively along the c axis of the MOF. Two-probe conductivity measurements show that the parent MOF and the version containing isolated oxy-tin(IV) clusters are electrically insulating, but that the versions featuring continuous strands show an electrical conductivity of 1.8 × 10–7 S/cm after three Sn-SIM cycles. When combined with interdigitated microelectrodes, the solvent-free and conductive-glass-modified material (three Sn-SIM cycles) displays a substantial and persistent increase in electrical conductivity during exposure to 5% H2, indicating a role for dissociated H2 as an electronic dopant. The increase can be repetitively reversed by alternating H2 with air, illustrating the ability of the conductive MOF to function as a resistive sensor for H2 and suggesting further potential applications that may capitalize on the combination of high volumetric surface area, high mesoporosity, high chemical and thermal stability, and significant electrical conductivity.

bio-inspired↗
DOE OSTI2016

Constraining globular cluster age uncertainties using the IR color-magnitude diagram

Globular Clusters (GCs) in the Milky Way are the primary laboratories for establishing the ages of the oldest stellar populations and for measuring the color–magnitude relation of stars. In infrared (IR) color–magnitude diagrams (CMDs), the stellar main sequence (MS) exhibits a “kink” due to opacity effects in M dwarfs such that lower mass and cooler dwarfs become bluer in the IR color baseline. This diagnostic offers a new opportunity to model GC CMDs and to reduce uncertainties on cluster properties (e.g., their derived ages). In this context, we analyzed Hubble Space Telescope Wide Field Camera 3 IR archival observations of four GCs—47 Tuc, M4, NGC 2808, and NGC 6752—for which the data are deep enough to fully sample the low-mass MS, reaching at least ≃2 mag below the “kink.” We derived the fiducial lines for each cluster and compared them with a grid of isochrones over a large range of parameter space, allowing age, metallicity, distance, and reddening to vary within reasonable selected ranges. The derived ages for the four clusters are, respectively, 11.6, 11.5, 11.2, and 12.1 Gyr and their random uncertainties are σ ∼ 0.7–1.1 Gyr. Our results suggest that the near-IR MS “kink,” combined with the MS turn-off, provides a valuable tool to measure GC ages and offers a promising opportunity to push the absolute age of GCs to sub-Gyr accuracy with the next generation IR telescopes such as the James Webb Space Telescope and the Wide-field Infrared Survey Telescope.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Doping Bottleneck in Hematite: Multipole Clustering by Small Polarons

We report highly effective doping in transition metal oxides is critical to fundamentally overcome low carrier conductivity due to small polaron formation and reach their ideal efficiency for energy conversion applications. However, the optimal doping concentration in polaronic oxides such as hematite has been extremely low, for example, less than a percent, which hinders the benefits of doping for practical applications. In this work, we investigate the underlying mechanism of low optimal doping concentration with group IV (Ti, Zr, and Hf) and XIV (Si, Ge, Sn, and Pb) dopants from first-principles calculations. We find that novel dopant-polaron clustering occurs even at very low dopant concentrations and resembles electric multipoles. These multipoles can be very stable at room temperature and are difficult to fully ionize compared to separate dopants, and thus they are detrimental to carrier concentration improvement. This allows us to uncover mysteries of the doping bottleneck in hematite and provide guidance for optimizing doping and carrier conductivity in polaronic oxides toward highly efficient energy conversion applications.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Physiological and Comparative Genomic Analysis of Arthrobacter sp. SRS-W-1-2016 Provides Insights on Niche Adaptation for Survival in Uraniferous Soils

Arthrobacter sp. strain SRS-W-1-2016 was isolated on high concentrations of uranium (U) from the Savannah River Site (SRS) that remains co-contaminated by radionuclides, heavy metals, and organics. SRS is located on the northeast bank of the Savannah River (South Carolina, USA), which is a U.S. Department of Energy (DOE) managed ecosystem left historically contaminated from decades of nuclear weapons production activities. Predominant contaminants within the impacted SRS environment include U and Nickel (Ni), both of which can be transformed microbially into less toxic forms via metal complexation mechanisms. Strain SRS-W-1-2016 was isolated from the uraniferous SRS soils on high concentrations of U (4200 μM) and Ni (8500 μM), but rapid growth was observed at much lower concentrations of 500 μM U and 1000 μM Ni, respectively. Microcosm studies established with strain SRS-W-1-2016 revealed a rapid decline in the concentration of spiked U such that it was almost undetectable in the supernatant by 72 h of incubation. Conversely, Ni concentrations remained unchanged, suggesting that the strain removed U but not Ni under the tested conditions. To obtain a deeper understanding of the metabolic potential, a draft genome sequence of strain SRS-W-1-2016 was obtained at a coverage of 90×, assembling into 93 contigs with an N50 contig length of 92,788 bases. The genomic size of strain SRS-W-1-2016 was found to be 4,564,701 bases with a total number of 4327 putative genes. An in-depth, genome-wide comparison between strain SRS-W-1-2016 and its four closest taxonomic relatives revealed 1159 distinct genes, representing 26.7% of its total genome; many associating with metal resistance proteins (e.g., for cadmium, cobalt, and zinc), transporter proteins, stress proteins, cytochromes, and drug resistance functions. Additionally, several gene homologues coding for resistance to metals were identified in the strain, such as outer membrane efflux pump proteins, peptide/nickel transport substrate and ATP-binding proteins, a high-affinity nickel-transport protein, and the spoT gene, which was recently implicated in bacterial resistance towards U. Detailed genome mining analysis of strain SRS-W-1-2016 also revealed the presence of a plethora of secondary metabolite biosynthetic gene clusters likely facilitating resistance to antibiotics, biocides, and metals. Additionally, several gene homologous for the well-known oxygenase enzyme system were also identified, potentially functioning to generate energy via the breakdown of organic compounds and thus enabling the successful colonization and natural attenuation of contaminants by Arthrobacter sp. SRS-W-1-2016 at the SRS site.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2011

ON THE RADIAL STELLAR CONTENT OF EARLY-TYPE GALAXIES AS A FUNCTION OF MASS AND ENVIRONMENT

Using optical-optical and optical-NIR colors, we analyze the radial dependence of age and metallicity inside massive (M{sub *} {approx}> 10{sup 10.5} M{sub sun}), low-redshift (z < 0.1), early-type galaxies (ETGs), residing in both high-density group regions and the field. On average, internal color gradients of ETGs are mainly driven by metallicity, consistent with previous studies. However, we find that group galaxies feature positive age gradients, {nabla} {sub t}, i.e., a younger stellar population in the galaxy center, and steeper metallicity gradients, compared to the field sample, whose {nabla} {sub t} ranges from negative in lower mass galaxies to positive gradients at higher mass. These dependencies yield new constraints on models of galaxy formation and evolution. We speculate that age and metallicity gradients of group ETGs result from (either gas-rich or minor-dry) mergers and/or cold-gas accretion, while field ETGs exhibit the characteristic flatter gradients expected from younger, more metal-rich stars formed inside-out by later gas cooling.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Stabilizing High Metal Loadings of Thermally Stable Platinum Single Atoms on an Industrial Catalyst Support

Single atom catalysts have attracted attention because of improved atom efficiency, higher reactivity, and better selectivity. A major challenge is to achieve high surface concentrations while preventing these atoms from agglomeration at elevated temperatures. Here we investigate the formation of Pt single atoms on an industrial catalyst support. Using a combination of surface sensitive techniques such as XPS and LEIS, X-ray absorption spectroscopy, electron microscopy, as well as density functional theory, we demonstrate that cerium oxide can support Pt single atoms at high metal loading (3 wt% Pt), without forming any clusters or 3D aggregates when heated in air at 800 °C. The mechanism of trapping involves a reaction of the mobile PtO2 with under-coordinated cerium cations present at CeO2(111) step edges, allowing Pt to achieve a stable square planar configuration. The strong interaction of mobile single atom species with the support, present during catalyst sintering and regeneration, helps explain the sinter-resistance of ceria-supported metal catalysts.

Kunwar, Deepak↗