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At least 343 records · Page 19

Difference in Icosahedral Short-Range Order in Early and Late Transition Metals Liquids

New short-range order data are presented for equilibrium and undercooled liquids of Ti and Ni. These were obtained from in-situ synchrotron x-ray diffraction measurements of electrostatically-levitated droplets. While the short-range order of liquid Ni is icosahedral, consistent with Frank's hypothesis, significantly distorted icosahedral order is observed in liquid Ti. This is the first experimental observation of distorted icosahedral short-range order in any liquid, although this has been predicted by theoretical studies on atomic clusters.

Lee, G. W.↗

Difference in Icosahedral Short-Range Order in Early and Late Transition Metal Liquids

New short-range order data are presented for equilibrium and undercooled liquids of Ti and Ni. These were obtained from in-situ synchrotron x-ray diffraction measurements of electrostatically-levitated droplets. While the short-range order of liquid Ni is icosahedral, consistent with Frank's hypothesis, significantly distorted icosahedral order is observed in liquid Ti. This is the first experimental observation of distorted icosahedral short-range order in any liquid. although this has been predicted by theoretical studies on atomic clusters.

Lee, G. W.↗

The Connection Between Local Icosahedral Order in Metallic Liquids and the Nucleation of Ordered Phases

Over fifty years ago, David Turnbull showed that the temperature of many metallic liquids could be decreased far below their equilibrium melting temperature before crystallization occurred. To explain those surprising results, Charles Frank hypothesized that the local structures of undercooled metallic liquids are different from those of crystal phases, containing a significant degree of icosahedral order that is incompatible with extended periodicity. Such structural differences must create a barrier to the formation crystal phases, explaining the observed undercooling behavior. If true, the nucleation from the liquid of phases with extended icosahedral order should be easier. Icosahedral order is often favored in small clusters, as observed recently in liquid-like clusters of pure Pb on the (111) surface of Si(3), for example. However, it has never been shown that an increasing preference for icosahedral phase formation can be directly linked with the development of icosahedral order in the undercooled liquid. Owing to the combination of very recent advances in levitation techniques and the availability of synchrotron X-ray and high flux neutron facilities.

Kelton, K. F.↗

The Connection Between Local Icosahedral Order in Metallic Liquids and the Nucleation of Ordered Phases

Over fifty years ago, David Turnbull showed that the temperature of many metallic liquids could be decreased far below their equilibrium melting temperature before crystallization occurred. To explain those surprising results, Charles Frank hypothesized that the local structures of undercooled metallic liquids are different from those of crystal phases, containing a significant degree of icosahedral order that is incompatible with extended periodicity. Such structural differences must create a barrier to the formation crystal phases, explaining the observed undercooling behavior. If true, the nucleation from the liquid of phases with extended icosahedral order should be easier. Icosahedral order is often favored in small clusters, as observed recently in liquid-like clusters of pure Pb on the (111) surface of Si, for example. However, it has never been shown that an increasing preference for icosahedral phase formation can be directly linked with the development of icosahedral order in the undercooled liquid. Owing to the combination of very recent advances in levitation techniques and the availability of synchrotron x-ray and high flux neutron facilities, this is shown here.

Curreri, Peter A.↗

The Connection Between Local Icosahedral Order in Metallic Liquids and the Nucleation Behavior of Ordered Phases

Over fifty years ago, David Turnbull showed that the temperature of many metallic liquids could be decreased far below their equilibrium melting temperature before crystallization occurred. To explain those surprising results, Charles Frank hypothesized that the local structures of undercooled metallic liquids are different from those of crystal phases, containing a significant degree of icosahedral order that is incompatible with extended periodicity. Such structural differences must create a barrier to the formation crystal phases, explaining the observed undercooling behavior. If true, the nucleation from the liquid of phases with extended icosahedral order should be easier. Icosahedral order is often favored in small clusters, as observed recently in liquid-like clusters of pure Pb on the (111) surface of Si[3], for example. However, it has never been shown that an increasing preference for icosahedral phase formation can be directly linked with the development of icosahedral order in the undercooled liquid. Owing to the combination of very recent advances in levitation techniques and the availability of synchrotron x-ray and high flux neutron facilities, this is shown here.

Kelton, K. F.↗

Dopant effect of yttrium and the growth and adherence of alumina on nickel-aluminum alloys

The atom superposition and electron delocalization molecular orbital theory and large cluster models have been employed to study cation vacancy diffusion in alpha-Al2O3 and the bonding of alpha-Al2O3 to nickel, aluminum, and yttrium surfaces. Al(3+) diffusion barriers in alpha-Al2O3 by the vacancy mechanism are in reasonable agreement with experiment. The barrier to Y(3+) diffusion is predicted to be much higher. Since addition of yttrium to transition metal alloys is known to reduce the growth rate and stress convolutions in protective alumina scales, this result suggests the rate-limiting step in scale growth is cation vacancy diffusion. This may partially explain the beneficial effect of yttrium dopants on scale adhesion. The theory also predicts a very strong bonding between alumina and yttrium at the surface of the alloy. This may also be important to the adhesion phenomenon. It is also found that aluminum and yttrium atoms bond very strongly to nickel because of charge transfer from their higher lying valence orbitals to the lower lying nickel s-d band.

Anderson, A. B.↗

HST Observations of New Horizontal Branch Structures in the Globular Cluster w Centauri

The globular cluster omega Centauri contains the largest known population of very hot horizontal branch (HB) stars. We have used the Hubble Space Telescope to obtain a far-UV/optical color-magnitude diagram of three fields in omega Cen. We find that over 30% of the HB objects are "extreme" HB or hot post-HB stars. A wide gap in the color distribution of the hot HB stars may correspond to gaps found earlier in several other clusters, which argues for a common mass loss mechanism. The diagram contains a significant population of hot sub-HB stars, which we interpret as the "blue-hook" objects predicted by D'Cruz (1996a). These are produced by late He-flashes in stars which have undergone unusually large giant branch mass loss. Omega Cen has a well-known spread of metal abundance, and the diagram is consistent with a giant branch mass loss efficiency which increases with metallicity. There is no evidence for a dynamical origin of the hot HB stars.

Stecher, Theodore↗

Theoretical Study of the First Transition Row Oxides and Sulfides

The first transition row oxides and sulfides are studied using several different levels of theory. The calculations show the bonding mechanism in the sulfides and oxides to be very similar. For the oxides, accurate experimental data allow the theoretical methods to be calibrated. The same level of theory is used to study the sulfides where there is far less experimental information. For ScO through MnO and CuO the coupled cluster singles and doubles technique including a perturbational estimate of the unliked triple excitations [CCSD(T)] yields spectroscopic constants ((tau)e, (omega)e, and D0) in good agreement with experiment. The triple excitations are found to be very important in achieving this accuracy. For FeO to NiO, the single determinant self-consistent-field (SCF) approach yields pi orbitals that are localized on the metal or oxygen. This appears to cause problems for the single reference techniques; this is discussed in detail for NiO. The complete-active-space SCF/internally contracted averaged coupled pair functional approach (CASSCF/ICACPF) works well for FeO to NiO. The calculation of accurate dipole moments is found to be very difficult.

Bauschlicher, Charles W., Jt.↗

The Evolution of the Cluster X-ray Scaling Relations in the Wide Angle ROSAT Pointed Survey Sample at 0.6 < z < 1.0

The X-ray properties of a sample of 11 high-redshift (0.6 < z < 1 .O) clusters observed with Chardm and/or XMM-Newton are used to investigate the evolution of the cluster scaling relations. The observed evolution in the normalization of the L-T, M-T, M(sub 2)-T and M-L relations is consistent with simple self-similar predictions, in which the properties of clusters reflect the properties of the Universe at their redshift of observation. Under the assumption that the model of self-similar evolution is correct and that the local systems formed via a single spherical collapse, the high-redshift L-T relation is consistent with the high-z clusters having virialized at a significantly higher redshift than the local systems. The data are also consistent with the more realistic scenario of clusters forming via the continuous accretion of material. The slope of the L-T relation at high redshift (B = 3.32 +/- 0.37) is consistent with the local relation, and significantly steeper than the self-similar prediction of B = 2. This suggests that the same non-gravitational processes are responsible for steepening the local and high-z relations, possibly occurring universally at z is approximately greater than 1 or in the early stages of the cluster formation, prior to their observation. The properties of the intracluster medium at high redshift are found to be similar to those in the local Universe. The mean surface-brightness profile slope for the sample is Beta = 0.66 +/- 0.05, the mean gas mass fractions within R(sub 2500(z)) and R(200(z)) are 0.069 +/- 0.012 and 0.11 +/- 0.02, respectively, and the mean metallicity of the sample is 0.28 +/- 0.11 Z(sub solar).

Maughan, B. J.↗

Kepler Planet Detection Mission: Introduction and First Results

The Kepler Mission is designed to determine the frequency of Earth-size and rocky planets in and near the habitable zone (HZ) of solar-like stars. The HZ is defined to be the region of space where a rocky planet could maintain liquid water on its surface. Kepler is the 10th competitively-selected Discovery Mission and was launched on March 6, 2009. Since completing its commissioning, Kepler has observed over 156,000 stars simultaneously and near continuously to search for planets that periodically pass in front of their host star (transit). The photometric precision is approximately 23 ppm for 50% of the 12th magnitude dwarf stars for an integration period of 6.5 hours. During the first 3 months of operation the photometer detected transit-like signatures from more than 200 stars. Careful examination shows that many of these events are false-positives such as small stars orbiting large stars or blends of target stars with eclipsing binary stars. Ground-based follow-up observations confirm the discovery of five new exoplanets with sizes between 0.37 andl.6 Jupiter radii (R(sub J)) and orbital periods ranging from 3.2 to 4.9 days. Ground-based observations with the Keck 1, Hobby-Ebberly, Hale, WIYN, MMT, Tillinghast, Shane, and Nordic Optical Telescopes are used to vet the planetary candidates and measure the masses of the putative planets. Observations of occultations and phase variations of hot, short-period planets such as HT-P-7b provide a probe of atmospheric properties. Asteroseismic analysis already shows the presence of p-mode oscillations in several stars. Such observations will be used to measure the mean stellar density and infer the stellar size and age. For stars too dim to permit asteroseismology, observations of the centroid motion of target stars will be used to measure the parallax and be combined with photometric measurements to estimate stellar sizes. Four open clusters are being observed to determine stellar rotation rates as a function of age and spectral type. Many different types of stellar variability are observed with unprecedented precision and over a wide range of time scales. Solar-like photometric variability of thousands of field stars is being studied to determine how photometric variability and the stellar rotation rates change with stellar age and metallicity. A wide variety of other astrophysical phenomena have also been observed. The data are being analyzed at the Ames Research Center and archived at the MAST at STScI. The Kepler Mission also supports a vigorous Guest Observer Program.

Borucki, William↗

Thermal Insulative Elastomers for Clustered Large Liquid Propellant Rocket Engines

As thrust levels increase and as rocket engines fire for longer periods of time, the difficulties encountered in the protection of critical components from the effects of excessively high temperatures greatly increase. To protect these components a series of filled elastomeric composites have been evaluated. A brief discussion is presented of the problems of hot gas recirculation, radiation, and base plane heating with particular reference to large, clustered, liquid propellant rocket engines. The effect on components is discussed and an evaluation of a series of insulators based on filled elastomeric composites is presented. The evaluations are based on specialized thermal tests which were designed to simulate as far as possible, conditions during flight. The most promising of these elastomeric composites are compared to three alternative insulative systems, a filled, castable ceramic, a metal foil-silica fiber batting, and an asbestos-inconel wire mesh composite, in terms of weight, cost, and ease of fabrication and repair.

Peters, S. T.↗

First Report of Taenite in an Asteroidal Interplanetary Dust Particle: Flash-heating Simulates Nebular Dust Evolution

Metallic iron with a taenite structure rimmed by Fe3C carbide, kamacite with a magnetite rim, both approximately 200 nm in size, and les than 15 nm kamacite crystals embedded in equilibrated aggregates (or GEMS) were reported in IDPs. Here I report the first g-(Fe,Ni), taenite, in sulfide fragment -F6 particle with adhered patches of thermally modified aggregate IDP-like material belonging to cluster IDP L2011#21.

Rietmeijer, F. J. M.↗

Molecular cluster theory for chemisorption of first row atoms on nickel /100/ surfaces

Self-consistent Hartree-Fock-Slater molecular cluster models for the chemisorption of first-row atoms on Ni(100) surfaces are presented. Energy levels and ground-state charge distributions are given for XNi5 clusters with the adatom X = H, C, N, O located in C4V symmetry at a fixed height of 2.0 au above the surface. The variation of properties with height was studied in detail for the case of oxygen. Theoretical results compare rather well with experimental photoelectron and energy-loss data. Local-densities-of-states diagrams are used to clarify the interaction between adsorbate levels and metal conduction bands.

Ellis, D. E.↗

On the interpretation of the Sandage period-shift effect among globular-cluster RR Lyrae variables

A new grid of canonical zero-age horizontal branch (ZAHB) models is constructed to study the Sandage period-shift effect, and a number of possible explanations for the discrepancy between the observed and predicted period shifts are explored. Various factors which determine the period shift in ZAHB models are discussed in detail, showing that possible uncertainties in the input physics used for computing the preceding red-giant evolution are unlikely to resolve the discrepancy. Some test calculations for the ZAHB phase are presented which suggest than an increase in the metal opacity at temperatures around a million K might substantially increase the predicted period shift. It is found that a nonsolar CNO to Fe ratio is not a plausible explanation of the period-shift discrepancy, and the effects of evolution off the ZAHB in the period-effective temperature diagram are discussed. It is shown that evolution can increase the predicted period shift but not to the extent required by the Sandage effect. The possibility that rotation might explain the discrepancy is considered and rejected.

Sweigart, Allen V.↗

Advanced Low Conductivity Thermal Barrier Coatings: Performance and Future Directions (Invited paper)

Thermal barrier coatings will be more aggressively designed to protect gas turbine engine hot-section components in order to meet future engine higher fuel efficiency and lower emission goals. In this presentation, thermal barrier coating development considerations and performance will be emphasized. Advanced thermal barrier coatings have been developed using a multi-component defect clustering approach, and shown to have improved thermal stability and lower conductivity. The coating systems have been demonstrated for high temperature combustor applications. For thermal barrier coatings designed for turbine airfoil applications, further improved erosion and impact resistance are crucial for engine performance and durability. Erosion resistant thermal barrier coatings are being developed, with a current emphasis on the toughness improvements using a combined rare earth- and transition metal-oxide doping approach. The performance of the toughened thermal barrier coatings has been evaluated in burner rig and laser heat-flux rig simulated engine erosion and thermal gradient environments. The results have shown that the coating composition optimizations can effectively improve the erosion and impact resistance of the coating systems, while maintaining low thermal conductivity and cyclic durability. The erosion, impact and high heat-flux damage mechanisms of the thermal barrier coatings will also be described.

Zhu, Dongming↗

Advanced Low Conductivity Thermal Barrier Coatings: Performance and Future Directions

Thermal barrier coatings will be more aggressively designed to protect gas turbine engine hot-section components in order to meet future engine higher fuel efficiency and lower emission goals. In this presentation, thermal barrier coating development considerations and performance will be emphasized. Advanced thermal barrier coatings have been developed using a multi-component defect clustering approach, and shown to have improved thermal stability and lower conductivity. The coating systems have been demonstrated for high temperature combustor applications. For thermal barrier coatings designed for turbine airfoil applications, further improved erosion and impact resistance are crucial for engine performance and durability. Erosion resistant thermal barrier coatings are being developed, with a current emphasis on the toughness improvements using a combined rare earth- and transition metal-oxide doping approach. The performance of the toughened thermal barrier coatings has been evaluated in burner rig and laser heat-flux rig simulated engine erosion and thermal gradient environments. The results have shown that the coating composition optimizations can effectively improve the erosion and impact resistance of the coating systems, while maintaining low thermal conductivity and cyclic durability. The erosion, impact and high heat-flux damage mechanisms of the thermal barrier coatings will also be described.

Zhu, Dongming↗

Condensation from Cluster-IDP Enriched Vapor Inside the Snow Line: Implications for Mercury, Asteroids, and Enstatite Chondrites

Enstatite chondrites (EC) contain highly reduced matrix minerals (e.g.- (Mg,Fe,Mn)S solid solution, CaS) that probably formed in thermodynamic equilibrium with a vapor phase. EC chondrules contain enstatite, Fs5 to Fs30, in which iron was reduced after formation, also by interaction with vapor [1, 2]. The origin and location of this reducing vapor bears upon the formation of the terrestrial planets (Mercury to Mars), the remnant chemical zoning of the asteroid belt (E, S, C, D-types), and the cosmochemistry of metals in the early solar system.

Ebel, D. S.↗

Theoretical Study of the H2-ML(+) Binding Energies

The cooperative ligand effects are studied in MLH2(+) and the results are compared to the recent experiments of Kemper et al. The bonding in these compounds is principally electrostatic in origin; however, ligand to metal and metal to ligand donations are important, especially for H2. We show that differences arise among the vanadium, cobalt, and copper complexes which are due to 3d donation to H2. Electron correlation is required to describe the dative interaction, and we find that second order Moller-Plesset perturbation theory (MP2) yields a good description of these systems compared with higher levels of correlation (such as the modified coupled pair functional and coupled cluster approaches) and experiment. However, obtaining quantitative results requires higher levels of theory than MP2.

Maitre, Philippe↗