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At least 145 records · Page 8

The nature of the metal-CO interaction and bonding

The adsorption of CO on metal surfaces is represented by molecular orbital cluster models of CO at an on top site and adsorbed normal to the surface carbon end down. Ab initio SCF and MCSCF calculations are performed for several clusters. The new constrained space orbital variation CSOV approach is used to analyze the bonding and to compare CO adsorption on Al, representative of sp metals, with that on Cu, representative of transition metals. There is a large repulsion between the superposed free CO and metal charge distributions which is considerably smaller for Cu than for Al because there are fewer valence sigma electrons for Cu than for Al. The CSOV analysis shows that the metal to CO pi donation is much more important than the CO to metal sigma donation. It is also shown that for Cu, the d pi contribution to the metal pi donation is larger than the valence 4p pi contribution. The d pi donation is compared between Fe, Ni, and Cu and this donation and the metal-CO interaction are found to be different in the order Fe greater than Ni greater than Cu.

Bagus, P. S.↗

Solar Wind/Magnetosphere/Ionosphere Coupling and the Temporal and Spatial Evolution of Boundary Layers using Cluster, Polar and other ISTP Satellites

Our analysis concerns macro and meso-scale aspects of coupling between the IMF and the magnetosphere-ionosphere system, as opposed to the microphysics of determining how electron gyrotropy is broken and merging actually occurs. We correlate observed behaviors at Cluster and at Polar with temporal variations in other regions, such as in the ionosphere as measured by SuperDARN. Addressing problems with simultaneous observations from diverse locations properly constrains our interpretations.

Maynard, Nelson C.↗

Precipitation Analysis at Fine Time Scales using TRMM and Other Satellites: Real-time and Research Products and Applications

Quasi-global precipitation analyses at fine time scales (3-hr) are described. TRMM observations (radar and passive microwave) are used to calibrate polar-orbit microwave observations from SSM/I (and other satellites instruments, including AMSR and AMSU) and geosynchronous IR observations. The individual data sets are then merged using a priority order based on quality to form the TRMM Multi-satellite Precipitation Analysis (MPA). Raingauge information is used to help constrain the satellite-based estimates over land. The TRMM standard research product (Version 6 3B-42 of the TRMM products) will be available for the entire TRMM period (January 1998-present) by the end of 2004. The real-time version of this merged product has been produced over the past two years and is available on the U.S. TRMM web site (trmm.gsfc.nasa.gov) at 0.25" latitude-longitude resolution over the latitude range from 5O0N-50"S. Validation of daily totals indicates good results, with limitations noted in mid-latitude winter over land and regions of shallow, orographic precipitation. Various applications of these estimates are described, includmg: 1) detecting potential floods in near real-time; 2) analyzing Indian Ocean precipitation variations related to the initiation of El Nino; 3) determining characteristics of the African monsoon; and 4) analysis of diurnal variations.

Adler, Robert↗

DETERMINING THE AGE OF THE KEPLER OPEN CLUSTER NGC 6819 WITH A NEW TRIPLE SYSTEM AND OTHER ECLIPSING BINARY STARS

As part of our study of the old (∼2.5 Gyr) open cluster NGC 6819 in the Kepler field, we present photometric (Kepler and ground-based BVR{sub C}I{sub C}) and spectroscopic observations of the detached eclipsing binary WOCS 24009 (Auner 665; KIC 5023948) with a short orbital period of 3.6 days. WOCS 24009 is a triple-lined system, and we verify that the brightest star is physically orbiting the eclipsing binary using radial velocities and eclipse timing variations. The eclipsing binary components have masses M{sub B} = 1.090 ± 0.010 M{sub ⊙} and M{sub C} = 1.075 ± 0.013 M{sub ⊙}, and radii R{sub B} = 1.099 ± 0.006 ± 0.005 R{sub ⊙} and R{sub C} = 1.069 ± 0.006 ± 0.013 R{sub ⊙}. The bright non-eclipsing star resides at the cluster turnoff, and ultimately its mass will directly constrain the turnoff mass: our preliminary determination is M{sub A} = 1.251 ± 0.057 M{sub ⊙}. A careful examination of the light curves indicates that the fainter star in the eclipsing binary undergoes a very brief period of total eclipse, which enables us to precisely decompose the light of the three stars and place them in the color–magnitude diagram (CMD). We also present improved analysis of two previously discussed detached eclipsing stars in NGC 6819 (WOCS 40007 and WOCS 23009) en route to a combined determination of the cluster’s distance modulus (m − M){sub V} = 12.38 ± 0.04. Because this paper significantly increases the number of measured stars in the cluster, we can better constrain the age of the CMD to be 2.21 ± 0.10 ± 0.20 Gyr. Additionally, using all measured eclipsing binary star masses and radii, we constrain the age to 2.38 ± 0.05 ± 0.22 Gyr. The quoted uncertainties are estimates of measurement and systematic uncertainties (due to model physics differences and metal content), respectively.

79 ASTRONOMY AND ASTROPHYSICS↗

Precipitation Analysis at Fine Time Scales using TRMM and Other Satellites: Realtime and Research Products and Applications

Quasi-global precipitation analyses at fine time scales (3-hr) are described. TRMM observations (radar and passive microwave) are used to calibrate polar-orbit microwave observations from SSM/I (and other satellites instruments, including AMSR and AMSU) and geosynchronous IR observations. The individual data sets are then merged using a priority order based on quality to form the TRMM Multi-satellite Precipitation Analysis (MPA). Raingauge information is used to help constrain the satellite-based estimates over land. The TRMM standard research product (Version 6 3B-42 of the TRMM products) will be available for the entire TRMM period (January 1998-present) by the end of 2004. The real-time version of this merged product has been produced over the past two years and is available on the U.S. TRMM web site (trmm.gsfc.nasa.gov) at 0.25 deg latitude-longitude resolution over the latitude range from 50 deg N-50 deg S. Validation of daily totals indicates good results, with limitations noted in mid-latitude winter over land and regions of shallow, orographic precipitation. Various applications of these estimates are described, including: 1) detecting potential floods in near real-time; 2) analyzing Indian Ocean precipitation variations related to the initiation of El Nino; 3) determining characteristics of the African monsoon; and 4) analysis of diurnal variations.

Adler, Robert↗

Surprisal analysis of rotational-translational energy transfer - Non-linear versus linear rotors

Surprisal versus energy gap analyses of state-to-state cross sections are presented for a number of linear rigid rotors excited by collisions with atoms for H2-H, H2-He, HCl-He, HCl-Ar, CO-He, CS-H2 (j=0) OCS-H2 (j=0) and HN2(+)-He, where (j=0) indicates that the hydrogen molecule was constrained to remain in its lowest level. Different systems exhibit wide variations in the slope of the surprisal plot and in certain cases, enough to indicate that the energy gap may not be the static dynamical constraint. Similar analyses are presented for nonlinear rotors excited by atoms for H2CO-He and H2O-He. For these, the data show a great deal of scatter, indicating that the reduced energy gap is probably not the appropriate independent variable.

Green, S.↗

Kepler-90: Giant Transit-timing Variations Reveal a Super-puff

Exoplanet transit-timing variations (TTVs) caused by gravitational forces between planets can be used to determine planetary masses and orbital parameters. Most of the observed TTVs are small and sinusoidal in time, leading to degeneracies between the masses and orbital parameters. Here we report a TTV analysis of Kepler-90g and Kepler-90h, which exhibit large TTVs up to 25 hr. With optimization, we find a unique solution that allows us to constrain all of the orbital parameters. The best-fit masses for Kepler-90g and 90h are 15.0{sub −0.8}{sup +0.9} M {sub ⊕} (Earth mass) and 203{sub −5}{sup +5}M{sub ⊕}, respectively, with Kepler-90g having an unusually low apparent density of 0.15 ± 0.05 g cm{sup −3}. The uniqueness of orbital parameter solution enables a long-term dynamical integration, which reveals that although their periods are close to 2:3 orbital resonance, they are not locked in resonance, and the configuration is stable over billions of years. The dynamical history of the system suggests that planet interactions are able to raise the eccentricities and break the resonant lock after the initial formation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Retained Austenite Attributes and Mechanical Performance of Different Compositions of TRIP Steel Alloys

The main objective of this work is to correlate the different attributes of retained austenite phase in TRIP steel structure with its mechanical properties. Three different chemical compositions were used to produce TRIP steel alloys. The first alloy contains only silicon as a carbide precipitation inhibitor; in the second alloy, silicon is partially replaced with aluminum, while in the third alloy phosphorus is added to the silicon–aluminum alloy. These compositions were proposed in order to avoid the negative effect of silicon during galvanizing. These three steel alloys were cast, homogenized, hot-forged and then subjected to intercritical annealing treatment followed by cooling and isothermal treatment in salt bath with subsequent air-cooling. Microstructural characterization, using optical microscope, SEM and XRD, along with tensile testing was carried out. Retained austenite attributes include volume fraction, carbon content, total carbon content, retained austenite transformable index and its stability coefficient against strain-induced martensite (SIM) transformation. The effect of these attributes on the mechanical properties of the studied TRIP steel alloys was evaluated using tensile test date, i.e., ultimate tensile strength (UTS), ductility, yield strength to UTS ratio, performance index and strain-hardening exponent. The variation of strain-hardening rate and strain-hardening exponent with strain was also considered. The failure behavior of the studied steel alloys was investigated using SEM on tensile-tested specimens. The results show that Si/Al-alloy has the lowest retained austenite transformable index, lowest stability coefficient against SIM transformation, highest performance index and more stable and uniform variation in strain-hardening rate and strain-hardening exponent with strain. These properties satisfy the industrial constrains of the sheets used in automotive industry relating to better mechanical properties and galvanizability.

36 MATERIALS SCIENCE↗

A coordinated X-ray and optical campaign of the nearest massive eclipsing binary, δ Orionis Aa. III. Analysis of optical photometric (MOST) and spectroscopic (ground-based) variations

We report on both high-precision photometry from the Microvariability and Oscillations of Stars (MOST) space telescope and ground-based spectroscopy of the triple system δ Ori A, consisting of a binary O9.5II+early-B (Aa1 and Aa2) with P = 5.7 days, and a more distant tertiary (O9 IV P>400 years). This data was collected in concert with X-ray spectroscopy from the Chandra X-ray Observatory. Thanks to continuous coverage for three weeks, the MOST light curve reveals clear eclipses between Aa1 and Aa2 for the first time in non-phased data. From the spectroscopy, we have a well-constrained radial velocity (RV) curve of Aa1. While we are unable to recover RV variations of the secondary star, we are able to constrain several fundamental parameters of this system and determine an approximate mass of the primary using apsidal motion. We also detected second order modulations at 12 separate frequencies with spacings indicative of tidally influenced oscillations. These spacings have never been seen in a massive binary, making this system one of only a handful of such binaries that show evidence for tidally induced pulsations.

79 ASTRONOMY AND ASTROPHYSICS↗

Discovery of a 7.1 hour period and eclipses from MXB 1659-29

A 7.1 hr period has been discovered in the X-ray emission from the 'transient' X-ray burst source MXB 1659-29. Erratic variations in X-ray flux are seen during approximately 25 percent of the 7.1 hr cycle; at the end of this period, a stable dip in the flux occurs. Further analysis indicates that this dip is, in all probability, an eclipse by the companion star in the low-mass binary system. The short (about 15 minute) eclipse duration is used to refine the period determination (7.114104 + or - 0.000168 hr) and to constrain the companion star mass and binary system parameters. The companion star is found to be in the range 0.25-0.9 solar mass; probabilistic arguments and observations of cataclysmic variables with comparable periods indicate that the companion star is most likely less massive than the standard theories would indicate.

Cominsky, L. R.↗

The microwave spectra of the asteroids Pallas, Vesta, and Hygiea

Microwave observations of Pallas, Vesta, and Hygiea at 2 and 6 cm wavelength yield brightness temperatures that are much lower than would be expected for a rapidly rotating blackbody. An analysis of the wavelength dependence of the observed brightness temperatures shows that, as was found for Ceres, these asteroids may be covered by a layer of material with the physical properties of finely divided dust. Models with layer depths of greater than 6 cm (Pallas), 6 cm (Vesta), and 8 cm (Hygiea) were found to represent well the variation in emissivity at radio wavelengths. The properties of the underlying layer are not well constrained by the microwave observations. It does appear that the real part of the dielectric vector for the substrate is similar to that of basaltic rock. Major compositional changes, if any, must take place at depths greater than about 10 cm. No evidence for water ice was found. Disk-resolved observations of the 2-cm emission of Vesta yield physical dimensions consistent with the recently published speckle-interferometry results.

Johnston, K. J.↗

Comparative Transcriptomics Analyses across Species, Organs, and Developmental Stages Reveal Functionally Constrained lncRNAs

The functionality of long noncoding RNAs (lncRNAs) is disputed. In general, lncRNAs are under weak selective pressures, suggesting that the majority of lncRNAs may be nonfunctional. However, although some surveys showed negligible phenotypic effects upon lncRNA perturbation, key biological roles were demonstrated for individual lncRNAs. Most lncRNAs with proven functions were implicated in gene expression regulation, in pathways related to cellular pluripotency, differentiation, and organ morphogenesis, suggesting that functional lncRNAs may be more abundant in embryonic development, rather than in adult organs. To test this hypothesis, we perform a multidimensional comparative transcriptomics analysis, across five developmental time points (two embryonic stages, newborn, adult, and aged individuals), four organs (brain, kidney, liver, and testes), and three species (mouse, rat, and chicken). We find that, overwhelmingly, lncRNAs are preferentially expressed in adult and aged testes, consistent with the presence of permissive transcription during spermatogenesis. LncRNAs are often differentially expressed among developmental stages and are less abundant in embryos and newborns compared with adult individuals, in agreement with a requirement for tighter expression control and less tolerance for noisy transcription early in development. For differentially expressed lncRNAs, we find that the patterns of expression variation among developmental stages are generally conserved between mouse and rat. Moreover, lncRNAs expressed above noise levels in somatic organs and during development show higher evolutionary conservation, in particular, at their promoter regions. Thus, we show that functionally constrained lncRNA loci are enriched in developing organs, and we suggest that many of these loci may function in an RNA-independent manner.

59 BASIC BIOLOGICAL SCIENCES↗

Sensitivity of optimum solutions to problem parameters

In an aircraft configuration optimization, the information of interest is the sensitivity of optimal block fuel consumption and wing aspect ratio and area, to variations of required range and payload. The objectives of this study are: (1) to show how the equations capable of yielding the sensitivity derivatives (the sensitivity equations) can be obtained for a constrained optimum regardless of the type of optimization algorithm that was used to arrive at the optimum point, (2) to review the solvability of the sensitivity equations and (3) to report on applications on structural optimization. Numerical examples, which demonstrate the sensitivity analysis, include a tubular column and a three-bar truss for which closed form solutions are obtained, a ten-bar truss that requires the use of a finite element analysis, and a thin-walled beam characterized by strongly nonlinear constraints for local buckling. It is concluded that a practically significant extrapolation accuracy may be obtained for a reasonably broad range of parameter changes; and that accuracy does not depend strongly on the degree of convergence of the optimum solution from which the sensitivity derivatives are obtained.

Sobieszczanski-Sobieski, J.↗

Toward the characterization of upper tropospheric clouds using Atmospheric Infrared Sounder and Microwave Limb Sounder observations

We estimate the accuracy of cloud top altitude (Z) retrievals from the Atmospheric Infrared Sounder (AIRS) and Advanced Microwave Sounding Unit (AMSU) observing suite (ZA) on board the Earth Observing System Aqua platform. We compare ZA with coincident measurements of Z derived from the micropulse lidar and millimeter wave cloud radar at the Atmospheric Radiation Measurement (ARM) program sites of Nauru and Manus islands (ZARM) and the inferred Z from vertically resolved Microwave Limb Sounder (MLS) ice water content (IWC) retrievals. The mean difference in ZA minus ZARM plus or minus one standard deviation ranges from −2.2 to 1.6 km ± 1.0 to 4.2 km for all cases of AIRS effective cloud fraction (f A) > 0.15 at Manus Island using the cloud radar only. The range of mean values results from using different approaches to determine ZARM, day/night differences, and the magnitude of f A; the variation about the mean decreases for increasing values of f A. Analysis of ZARM from the micropulse lidar at Nauru Island for cases restricted to 0.05 ≤ f A ≤ 0.15 indicates a statistically significant improvement in ZA − ZARM over the cloud radar-derived values at Manus Island. In these cases the ZA − ZARM difference is −1.1 to 2.1 km ± 3.0 to 4.5 km. These results imply that the operational ZA is quantitatively useful for constraining cirrus altitude despite the nominal 45 km horizontal resolution. Mean differences of cloud top pressure (PCLD) inferred from coincident AIRS and MLS ice water content (IWC) retrievals depend upon the method of defining AIRS PCLD (as with the ARM comparisons) over the MLS spatial scale, the peak altitude and maximum value of MLS IWC, and f A. AIRS and MLS yield similar vertical frequency distributions when comparisons are limited to f A > 0.1 and IWC > 1.0 mg m−3. Therefore the agreement depends upon the opacity of the cloud, with decreased agreement for optically tenuous clouds. Further, the mean difference and standard deviation of AIRS and MLS PCLD are highly dependent on the MLS tangent altitude. For MLS tangent altitudes greater than 146 hPa, the strength of the limb technique, the disagreement becomes statistically significant. This implies that AIRS and MLS “agree” in a statistical sense at lower tangent altitudes and “disagree” at higher tangent altitudes. These results provide important insights on upper tropospheric cloudiness as observed by nadir-viewing AIRS and limb-viewing MLS.

Wu, Dong L.↗

Robustness of solutions to a benchmark control problem

The robustness of 10 solutions to a benchmark control design problem presented at the 1990 American Control Conference has been evaluated. The 10 controllers have second-to-eighth-order transfer functions and have been designed using several different methods, including H-infinity optimization, loop-transfer recovery, imaginary-axis shifting, constrained optimization, structured covariance, game theory, and the internal model principle. Stochastic robustness analysis quantifies the controllers' stability and performance robustness with structured uncertainties in up to six system parameters. The analysis provides insights into system response that are not readily derived from other robustness criteria and provides a common ground for judging controllers produced by alternative methods. One important conclusion is that gain and phase margins are not reliable indicators of the probability of instability. Furthermore, parameter variations actually may improve the likelihood of achieving selected performance metrics, as demonstrated by results for the probability of settling-time exceedance.

Stengel, Robert F.↗

Origin of Dips in 4U1915-05

This grant supported our participation in a proposal submitted by Didier Barret to conduct a study of the dipping LMXB 4U1915-05. In this Final Report, we summarize the Scientific Objectives of this investigation and the results achieved. Data analysis is still in progress and publication of results will be forthcoming.Our objectives in this work have been to study: 1. Spectra of dips in 4 Ul916-05: This low mass x-ray binary (LMXB) is a 50min binary system and the first to show x-ray dip behaviour. Our XMM observation was proposed to study the x-ray spectra of the dips to better constrain their physical properties. Of primary interest is the variation of the absorbing column density as a function of flux in the dip. We wish to isolate the absorption from Compton scattering components in the dip spectra, and to use the large throughput of XMM to better constrain short timescale variations of the spectrum in the dips. 2. Period of the dips and long-term ephemeris: We also seek to improve upon the long- term ephemeris of the dips by combining these more recent XMM data with earlier RXTE data to update the ephemeris for dips and the determination of the dip period to further test whether the dip period represents the true binary period of this LMXB. We shall extend the ephemeris published by Chou, Grindlay and Bloser 2001, ApJ, 549, 1135) to test the assertion of Retter, Chou et a1 2002, MNRAS, 330, 37 that the dips are indeed the binary period and not a precession period. 1 3 Results Achieved The observations for this program were delayed, presumably for reasons related to the general difficulty of scheduling XMM targets in this region moderately close to the Cygnus region. 4'171916-05 was finally observed (2lksec) on April 24, 2002, but the data have not been delivered. A second observation was conducted on September 9, 2002 (18ksec) and the data are still being analyzed. 4 Papers Presented and Published A paper is in preparation for Astronomy and Astrophysics in which the full results of this investigation will be reported. 1. Barret, D. et a1 2003, Astron. and Astophys.,in press. 2

Grindlay, Jonathan E.↗

Comparative study of local atomic structures in Zr{sub 2}Cu{sub x}Ni{sub 1−x} (x = 0, 0.5, 1) metallic glasses

Extensive analysis has been performed to understand the key structural motifs accounting for the difference in glass forming ability in the Zr-Cu and Zr-Ni binary alloy systems. Here, the reliable atomic structure models of Zr{sub 2}Cu{sub x}Ni{sub 1−x} (x = 0, 0.5, 1) are constructed using the combination of X-ray diffraction experiments, ab initio molecular dynamics simulations and a constrained reverse Monte Carlo method. We observe a systematic variation of the interatomic distance of different atomic pairs with respect to the alloy composition. The ideal icosahedral content in all samples is limited, despite the high content of five-fold symmetry motifs. We also demonstrate that the population of Z-clusters in Zr{sub 2}Cu glass is much higher than that in the Zr{sub 2}Ni and Zr{sub 2}Cu{sub 0.5}Ni{sub 0.5} samples. And Z12 〈0, 0, 12, 0〉 Voronoi polyhedra clusters prefer to form around Cu atoms, while Ni-centered clusters are more like Z11 〈0, 2, 8, 1〉 clusters, which is less energetically stable compared to Z12 clusters. These two different structural properties may account for the higher glass forming ability of Zr{sub 2}Cu alloy than that of Zr{sub 2}Ni alloy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Quantifying Variability and Controls of Riverine Dissolved Organic Carbon Exported to Arctic Coastal Margins of North America (Final Report)

This project involved implementation and application of a coupled permafrost hydrology and dissolved organic carbon process models to investigate how spatial and seasonal variations in terrestrial hydrology and soil freeze/thaw dynamics influence the mobilization, loading, and export of organic carbon to the stream network for selected arctic basins across northern Alaska and northwest Canada. The model simulations were constrained by detailed observations of in- stream chemistry, soil active layer profile moisture and temperature dynamics, streamflow, soil carbon inventories and satellite microwave remote sensing based assessments of surface soil freeze-thaw dynamics. We developed and applied the numerical modeling and data analysis, incorporating observed data for calibration and validation, in order to investigate the terrestrial hydrology, permafrost dynamics, and associated DOC production and loading to rivers across a region encompassing watersheds draining to the coast. The project produced six publications and three datasets archived in public repositories.

54 ENVIRONMENTAL SCIENCES↗