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At least 1,783 records · Page 99

High density Schottky barrier IRCCD sensors for SWIR applications at intermediate temperature

Monolithic 32 x 64 and 64 x 1:128 palladium silicide (Pd2Si) interline transfer infrared charge coupled devices (IRCCDs) sensitive in the 1 to 3.5 micron spectral band were developed. This silicon imager exhibits a low response nonuniformity of typically 0.2 to 1.6% rms, and was operated in the temperature range between 40 to 140 K. Spectral response measurements of test Pd2Si p-type Si devices yield quantum efficiencies of 7.9% at 1.25 microns, 5.6% at 1.65 microns 2.2% at 2.22 microns. Improvement in quantum efficiency is expected by optimizing the different structural parameters of the Pd2Si detectors. The spectral response of the Pd2Si detectors fit a modified Fowler emission model. The measured photo-electric barrier height for the Pd2Si detectors is 0.34 eV and the measured quantum efficiency coefficient, C1, is 19%/eV. The dark current level of Pd2Si Schottky barrier focal plane arrays (FPAs) is sufficiently low to enable operation at intermediate temperatures at TV frame rates. Typical dark current level measured at 120 K on the FPA is 2 nA/sq cm. The operating temperature of the Pd2Si FPA is compatible with passive cooler performance. In addition, high density Pd2Si Schottky barrier FPAs are manufactured with high yield and therefore represent an economical approach to short wavelength IR imaging. A Pd2Si Schottky barrier image sensor for push-broom multispectral imaging in the 1.25, 1.65, and 2.22 micron bands is being studied. The sensor will have two line arrays (dual band capability) of 512 detectors each, with 30 micron center-to-center detector spacing. The device will be suitable for chip-to-chip abutment, thus providing the capability to produce large, multiple chip focal planes with contiguous, in-line sensors.

Elabd, H.↗

Titanium, vanadium and chromium valences in silicates of ungrouped achondrite NWA 7325 and ureilite Y-791538 record highly-reduced origins

Titanium, Cr, and V valences were determined by applying micro-X-ray Absorption Near Edge Structure (micro-XANES) spectroscopy methods to individual grains of olivine and pyroxene in the ungrouped achondrite NWA 7325 and ureilite Y-791538, as well as to plagioclase in NWA 7325. The advantages of applying multiple, multivalent-element-based oxybarometers to individual grains are (1) the ability to cover the entire oxygen fugacity (fO2) range encountered in nature, and (2) the increased reliability from consistent results for semi-independent fO2 proxies. fO2 values were inferred from each mineral valence determination after correcting with available laboratory-experiment-derived, valence-specific partition coefficients to obtain melt valences and then calibrating with the fO2 values of the relevant equal species proportions points suggested for igneous (primarily basaltic) systems. The resulting olivine and pyroxene valences are highly reduced and similar in the two meteorites with substantial fractions of Cr2+, Ti3+ and V2+. The exception is Cr in NWA 7325 pyroxene which is much more oxidized than the Cr in its olivine. Chromium and Ti in plagioclase in NWA 7325 is relatively oxidized (V valence not determined). The anomalously oxidized Cr in NWA 7325 pyroxene may be due to a secondary reheating event that oxidized Cr in the pyroxene without similarly oxidizing Ti and V. Such a separation of the redox couples may be an effect of re-equilibration kinetics, where the valence of Cr would be more rapidly modified. These valences yielded similar mean fO2s for the two meteorites; IW-3.1 ± 0.2 for NWA 7325 and IW-2.8 ± 0.2 for Y-791538, consistent with an origin of NWA 7325 in either Mercury or an asteroid that experienced redox conditions similar to those on the ureilite parent body.

58 GEOSCIENCES↗

Effects of free-stream turbulence on diffuser performance

An experimental evaluation of the effects of free-stream turbulence on the performance of a subsonic two-dimensional diffuser has been made. Increases of the diffuser's static pressure recovery coefficient of 11.3 and 23.9 percent at total included divergence angles of 12 and 20 degrees respectively were obtained when the value of the inlet integral free-stream scale of turbulence in the flow direction was at least 7.2 times larger than the inlet boundary layer displacement thickness, when the inlet total free-stream turbulence intensity was at least 3.5 percent, and when the axes of upstream rods used to generate turbulence were perpendicular to the flow and parallel to the diverging walls of the diffuser. It is hypothesized that a larger scale of turbulence with the specified eddy axis orientation transmits the free-stream energy to the walls more effectively and, when coupled with large turbulence intensities, are mechanisms which act to decrease the distortion and delay separation within the diffuser.

Hoffmann, J. A.↗

Numerical analysis of a NACA0012 airfoil with leading edge ice accretions

Analysis of a NACA0012 airfoil with leading edge ice has been performed using a Navier-Stokes code coupled with a grid generation code. The computed results were compared to experimental information obtained for an airfoil with a well defined artificial ice shape. The computations were performed at angles of attack ranging from zero to ten degrees. This range is sufficient to show the development of the separation bubble aft of the ice shape on both the upper and lower surfaces. Velocity profile plots in the separation bubble are examined in order to determine if recirculation patterns are predicted properly and if separation and reattachment points are found within the resolution of the experimental information. Also, the massive separation near the point of stall is examined in order to more accurately evaluate the lift coefficient curve in that region. Lift, drag, and moment coefficients are computed and compared to experiment.

Potapczuk, Mark G.↗

Friction and Wear Characteristics of Candidate Foil Bearing Materials from 25 C to 800 C

The friction and wear behavior of unlubricated metal/metal sliding couples was investigated to screen potential candidates for high temperature foil bearings. The tribo-tests were run in an induction-heated high temperature pin-on-disk tribometer in an air atmosphere at a load of 4.9 N and at a sliding velocity of 1 m/s. The friction and wear properties of several nickel based alloys (Rene'41, Inconel X-750, Inconel 713C), iron based alloys (MA956 and Inconel 909) and a ceramic (Al2O3) were tested at 25, 500, and 800 C. In general, at elevated temperatures the alloys oxidized and formed a tenacious and lubricous oxide surface film or layer. At 800 C, Inconel X-750 versus Rene'41 had the lowest friction coefficient (0.27) and at 500 C, Inconel X-750 versus Inconel 909 the lowest pin wear (2.84 x 10(exp -6)cu mm/N-m). Gouging and severe wear of the softer material occurred whenever a significant difference in hardness existed between the pin and disk specimens.

DellaCorte, C.↗

Charge Transfer Calculations and Database for Astrophysics

A variety of theoretical approaches, having different but overlapping energy ranges of applicability, are applied to investigate charge transfer processes for collisions of atomic ions with atoms and molecules. The methods include quantal molecular-orbital close-coupling, classical trajectory Monte Carlo, and continuum distorted wave methods. Recent collision systems studied include S(+4) + H, S(+4) + He, N(+7) + He, H2O, CO, and CO2, O(+q)(q = 1 - 8) + H, H2, and S(+q)(q = 1 - 16) + H2. The database effort is concentrating on astrophysically important reactions of atomic ions X(+q)(X=H-Zn, q=1-4, and selected higher charges) with H, He, various metal atoms, H2, and other selected molecular targets. Existing data, much of it produced by us, has been compiled and critically evaluated. Data for many reactions missing in the literature are estimated using the multichannel Landau-Zener approximation. Fits to cross sections and rate coefficients using standard functions are provided as well as tabulations of the raw data. The database is available on the World Wide Web at cfadc.phy.ornl.gov/astro/ps/data.

Wang, J. G.↗

Impacts of Fully Coupling Land Surface and Flood Models on the Simulation of Large Wetlands’ Water Dynamics: The Case of the Inner Niger Delta

It is known that representing wetland dynamics in land surface modeling improves models ‘capacity to reproduce fluxes and land surface boundary conditions for atmospheric modeling in general circulation models. This study presents the development of the full coupling between the Noah-MP land surface model (LSM) and the HyMAP flood model in the NASA Land Information System and its application over the Inner Niger Delta (IND), a well-known hot-spot of strong land surface-atmosphere interactions in West Africa. Here, we define two experiments at 0.02o spatial resolution over 2002-2018 to quantify the impacts of the proposed developments on simulating IND dynamics. One represents the one-way approach for simulating land surface and flooding processes (1-WAY), i.e., Noah-MP neglects surface water availability, and the proposed two-way coupling (2-WAY), where Noah-MP takes surface water availability into account in the vertical water and energy balance. Results show that accounting for two-way interactions between Noah- MP and HyMAP over IND improves simulations of all selected hydrological variables. Compared to 1-WAY, evapotranspiration derived from 2-WAY over flooding zones doubles, increased by 0.8mm/day, resulting in an additional water loss rate of ~18,900km(exp 3)/year, ~40% drop of wetland extent during wet seasons and major improvement in simulated water level variability at multiple locations. Significant soil moisture increase and surface temperature drop were also observed. Wetland outflows decreased by 35%, resulting in a substantial a Nash-Sutcliffe coefficient improvement, from -0.73 to 0.79. It is anticipated that future developments in water monitoring and water-related disaster warning systems will considerably benefit from these findings.

Augusto Getirana↗

The Reaction of HO2 and CH3O2: CH3OOH Formed from the Singlet Electronic State Surface

High-level coupled-cluster calculations in combination with two-dimensional master equation simulations were used to study the HO2 + CH3O2 reaction, which plays an important role in the oxidation of methane and hydrocarbons in the Earth’s atmosphere and low-temperature combustion. The main reaction pathways taking place on the lowest-lying triplet and singlet potential energy surfaces (PES) were characterized. Interestingly, methyl hydroperoxide (CH3OOH), the sole product, could be produced from both the triplet and singlet PESs, with a ratio of roughly 9:1. Formaldehyde is not made as a primary product, but can be formed via secondary chemistry. The formation of methyl tetraoxide (MTO) from the singlet PES is unimportant. The calculated reaction rate coefficients were found to be practically pressure-independent for p ≤ 760 Torr and can be given by k(T)=2.75×10−13×e+1.75 kcal mol−1/RT (in cm3/s), an expression useful for kinetics modeling over the range T = 200–800 K. The rate constant has a slight negative Arrhenius energy dependence of about −1.75 kcal mol–1, falling about a factor of 30 from 200 K to 800 K.

2DME↗

Comparison of Hirs' equation of Moody's equation for determining rotordynamic coefficients of annular pressure seals

The rotordynamic coefficients of an incompressible-flow annular pressure seal were determined using a bulk-flow model in conjunction with two different friction factor relationships. The first, Hirs' equation, assumes the friction factor is a function of Reynolds number only. The second, Moody's equation, approximates Moody's diagram and assumes the friction factor is a function of both Reynolds number and relative roughness. For each value of relative roughness, Hirs' constants were determined so that both equations gave the same magnitude and slope of the friction factor. For smooth seals, both relationships give the same results. For rough seals (e/2 H sub 0 = 0.05) Moody's equation predicts 44% greater direct stiffness, 35% greater cross-coupled stiffness, 19% smaller cross-coupled damping, 59% smaller cross-coupled inertia, and nominally the same direct damping and direct inertia.

Nelson, Clayton C.↗

Macroscopic Violation of Three Cauchy-Schwarz Inequalities Using Correlated Light Beams From an Infra-Red Emitting Semiconductor Diode Array

We briefly review quantum mechanical and semi-classical descriptions of experiments which demonstrate the macroscopic violation of the three Cauchy-Schwarz inequalities: g(sup 2)(sub 11)(0) greater than or equal to 1; g(sup 2)(sub 11)(0) greater than or equal to g(sup 2)(sub 11)(t), (t approaches infinity); (the absolute value of g(sup 2)(sub 11)(0))(exp 2) less than or equal to g(sup 2)(sub 11)(0) g(sup 2)(sub 11)(0). Our measurements demonstrate the violation, at macroscopic intensities, of each of these inequalities. We show that their violation, although weak, can be demonstrated through photodetector current covariance measurements on correlated sub-Poissonian Poissonian, and super Poissonian light beams. Such beams are readily generated by a tandem array of infrared-emitting semiconductor junction diodes. Our measurements utilize an electrically coupled array of one or more infrared-emitting diodes, optically coupled to a detector array. The emitting array is operated in such a way as to generate highly correlated beams of variable photon Fano Factor. Because the measurements are made on time scales long compared with the first order coherence time and with detector areas large compared with the corresponding coherence areas, first order interference effects are negligible. The first and second inequalities are violated, as expected, when a sub-Poissonian light beam is split and the intensity fluctuations of the two split beams are measured by two photodetectors and subsequently cross-correlated. The third inequality is violated by bunched (as well as anti-bunched) beams of equal intensity provided the measured cross correlation coefficient exceeds (F - 1)/F, where F is the measured Fano Factor of each beam. We also investigate the violation for the case of unequal beams.

Edwards, P. J.↗

Trace Element Abundances of Olivine-Hosted Melt Inclusions in Shergottites Northwest Africa 7397 and Robert Massif 04262

Olivine-hosted melt inclusions (MIs) may retain trapped parent magma compositions as well as record progressive differentiation while magmas crystallize and ascend towards the surface [1,2 and references therein]. Major element compositions of the MIs, especially Fe and Mg, can be affected by post-entrapment re-equilibration with their host olivine [1,2]. Therefore, Fe/Mg ratio correction is required to obtain MI bulk compositions following equilibrium with their host olivine. Partition coefficients of most of the trace elements in olivine are very low (i.e. DOL/melt<0.001). Thus, ratios of trace elements of olivine-hosted MIs are unlikely to be affected by post-entrapment re-equilibration and no correction is necessary [2]. Hence, tracking trace element behavior in MIs may constrain the composition of the parent magma and its evolution yielding insights on magma differentiation of shergottites. However, analyzing MIs for chemical compositions is a challenging task due to their low abundances and small sizes. Using a highly sensitive and precise micro-beam technique is essential to examine olivine-hosted MIs in order to measure trace element abundances. For this purpose, laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) is an excellent tool due to its wide range of laser spot sizes (1-150 μm), ability to obtain raster analysis (several mm2) and lower detection limits (0.1 ppb) [3].

Ferdous, J.↗

From electronic structure to model application of key reactions for gasoline/alcohol combustion: Hydrogen-atom abstractions by $CH_3\dot{O}$ radical

H-atom abstraction by methoxy radical ($CH_3\dot{O}$) plays an important role in capturing the kinetics of reactions between gasoline components and alcohols. This study focuses on determining the reaction rates and thermodynamic properties of methoxy radical reactions with five gasoline fuel components: n-heptane, iso-octane, 1-hexene, cyclopentane and toluene. Electronic structure calculations were per-formed for all the stationary points with M06-2X/6 -311 ++ g(d,p) method. G3 composite method with atomization method is used for determining Δ f H 0 of all the closed shell and radical species, using which the necessary thermodynamic data of all the species was determined. Coupled cluster theory QCISD(T)/cc-pVXZ (where X = D and T) and Møller-Plesset perturbation theory MP2/cc-pVXZ (where X = D, T and Q) were used to calculate single point energies. Subsequently, rate constants for all hydrogen atom ab-straction channels have been performed using conventional transition state theory with unsymmetric tunneling corrections. A systematic comparison of rates for abstraction from different sites within the same species and same site from different species is done in order to get insights into this reaction class. Here, the computed thermodynamic properties and rate constants were incorporated into a recent gasoline mechanism to investigate the impact of the calculations performed in this work. A shift in predicted NTC (negative temperature coefficient) behavior and significant reduction in model reactivity is observed upon incorporating the rates calculated herein.

33 ADVANCED PROPULSION SYSTEMS↗

Relating Geometric Nanoconfinement and Local Molecular Environment to Diffusion in Ionic Polymer Membranes

Understanding structure-diffusion relationships in ionic polymer membranes not only illuminates fundamental mechanisms for membrane transport, but also informs further membrane development. In this study, we employ NMR diffusometry and molecular dynamics (MD) simulations to investigate diffusion coefficients and activation energies of diffusion (Ea) for both a lithium-form perfluorosulfonic acid membrane and aqueous solutions of lithium triflate. NMR shows that, at high water/ion molar ratio (?), Ea for water diffusion is slightly lower in the membrane than in solution. Conversely, membrane transport exhibits much higher Ea at low hydration as compared to solutions. MD simulations of a model system consisting of carbon nanotubes with varying diameter reveal that Ea of diffusion clearly relates to both the geometric nanoconfinement of the hydrophilic pathways in the membrane as well as the local molecular environment. These results demonstrate that Ea of diffusion can serve as a revelatory tool for the study of molecular transport processes and the coupling of morphology with transport at the nanoscale. This study thus provides new insights and new experimental and computational models for understanding transport in a wide range of polymer membranes, such as those used in molecular separations applications.

Zhang, Rui↗

Numerical investigation of plasma edge transport and limiter heat fluxes in Wendelstein 7-X startup plasmas with EMC3-EIRENE

Here the results of a first systematic assessment of plasma edge transport processes for the limiter startup configuration at Wendelstein 7-X are presented. This includes an investigation of transport from intrinsic and externally injected impurities and their impact on the power balance and limiter heat fluxes. The fully 3D coupled plasma fluid and kinetic neutral transport Monte Carlo code EMC3-EIRENE is used. The analysis of the magnetic topology shows that the poloidally and toroidally localized limiters cause a 3D helical scrape-off layer (SOL) consisting of magnetic flux tubes of three different connection lengths L C . The transport in the helical SOL is governed by L C as topological scale length for the parallel plasma loss channel to the limiters. A clear modulation of the plasma pressure with L C is seen. The helical flux tube topology results in counter streaming sonic plasma flows. The heterogeneous SOL plasma structure yields an uneven limiter heat load distribution with localized peaking. Assuming spatially constant anomalous transport coefficients, increasing plasma density yields a reduction of the maximum peak heat loads from 12 MWm -2 to 7.5 MWm -2 and a broadening of the deposited heat fluxes. The impact of impurities on the limiter heat loads is studied by assuming intrinsic carbon impurities eroded from the limiter surfaces with a gross chemical sputtering yield of 2 . The resulting radiative losses account for less than 10% of the input power in the power balance with marginal impact on the limiter heat loads. It is shown that a significant mitigation of peak heat loads, 40–50%, can be achieved with controlled impurity seeding with nitrogen and neon, which is a method of particular interest for the later island divertor phase.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Dynamics of Bridgman-Stockbarger growth of non-dilute binary alloys

The coupling between heat and mass transfer in the Bridgman-Stockbarger growth of nondilute crystals induces growth rate transients that are longer than those caused by heat transfer alone. The dynamics of the diffusion-controlled growth for thermophysical properties representative of Pb(1-x)Sn(x)Te and Hg(1-x)Cd(x)Te are computed from a one-dimensional solidification model which includes melt-crystal phase behavior. Results show that the growth rate response to a step change in pull rate for both systems differs from the exponential decay observed for dilute alloys and that growth rates cannot be inferred from axial segregation data in nondilute systems due to the dependence of the segregation coefficient on composition.

Bourret, E. D.↗

Photochemical oxidant processes in the presence of dust: An evaluation of the impact of dust on particulate nitrate and ozone formation

The influence of dust on the tropospheric photochemical oxidant cycle is studied through the use of a detailed coupled aerosol and gas-phase chemistry model. Dust is a significant component of the troposphere throughout Asia and provides a surface for a variety of heterogeneous reactions. Dust is found to be an important surface for particulate nitrate formation. For dust loading and ambient concentrations representative of conditions in East Asia, particulate nitrate levels of 1.5-11.5 micrograms/cubic meter are predicted, consistent with measured levels in this region. Dust is also found to reduce NO(x) levels by up to 50%, HO2 concentrations by 20%-80%, and ozone production rates by up to 25%. The magnitude of the influence of dust is sensitive to mass concentration of the aerosol, relative humidity, and the value of the accommodation coefficient.

Zhang, Yang↗

Dynamic Turbulence Modelling in Large-eddy Simulations of the Cloud-topped Atmospheric Boundary Layer

The use of large eddy simulation, or LES, to study the atmospheric boundary layer dates back to the early 1970s when Deardor (1972) used a three-dimensional simulation to determine velocity and temperature scales in the convective boundary layer. In 1974 he applied LES to the problem of mixing layer entrainment (Deardor 1974) and in 1980 to the cloud-topped boundary layer (Deardor 1980b). Since that time the LES approach has been applied to atmospheric boundary layer problems by numerous authors. While LES has been shown to be relatively robust for simple cases such as a clear, convective boundary layer (Mason 1989), simulation of the cloud-topped boundary layer has proved more of a challenge. The combination of small length scales and anisotropic turbulence coupled with cloud microphysics and radiation effects places a heavy burden on the turbulence model, especially in the cloud-top region. Consequently, over the past few decades considerable effort has been devoted to developing turbulence models that are better able to parameterize these processes. Much of this work has involved taking parameterizations developed for neutral boundary layers and deriving corrections to account for buoyancy effects associated with the background stratification and local buoyancy sources due to radiative and latent heat transfer within the cloud (see Lilly 1962; Deardor 1980a; Mason 1989; MacVean & Mason 1990, for example). In this paper we hope to contribute to this effort by presenting a number of turbulence models in which the model coefficients are calculated dynamically during the simulation rather than being prescribed a priori.

Kirkpatrick, M. P.↗

Determining the Metal/Silicate Partition Coefficient of Germanium: Implications for Core and Mantle Differentiation.

Currently there are several hypotheses for the thermal state of the early Earth. Some hypothesize a shallow magma ocean, or deep magma ocean, or heterogeneous accretion which requires no magma ocean at all. Previous models are unable to account for Ge depletion in Earth's mantle relative to CI chondrites. In this study, the element Ge is used to observe the way siderophile elements partition into the metallic core. The purpose of this research is to provide new data for Ge and to further test these models for Earth's early stages. The partition coefficients (D(sub Ge) = c(sub metal)/c(sub silicate), where D = partition coefficient of Ge and c = concentration of Ge in the metal and silicate, respectively) of siderophile elements were studied by performing series of high pressure, high temperature experiments. They are also dependent on oxygen fugacity, and metal and silicate composition. Ge is a moderately siderophile element found in both the mantle and core, and has yet to be studied systematically at high temperatures. Moreover, previous work has been limited by the low solubility of Ge in silicate melts (less than 100 ppm and close to detection limits for electron microprobe analysis). Reported here are results from 14 experiments studying the partitioning of Ge between silicate and metallic liquids. The Ge concentrations were then analyzed using Laser Ablation Inductively Coupled Mass Spectrometry (LA-ICP-MS) which is sensitive enough to detect ppm levels of Ge in the silicate melt.

King, C.↗