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The Chemistry and Excitation of Water in Molecular Clouds

We model the chemistry and thermal balance of opaque molecular clouds exposed to an external flux of ultraviolet photons. We include the processes of gas phase and grain surface chemical reactions; in particular we examine closely the freezing of atoms and molecules onto grain surfaces and the desorption of molecules from grain surfaces as a function of depth into a molecular cloud. We find that on the surface of a molecular cloud the gas phase water abundances are low because of photodissociation, and the grain phase water (ice) abundance is low because of photodesorption of water from the grain surfaces. Deeper into the cloud, at A(sub v) less than or approximately 2-8 depending on the strength of the external ultraviolet flux, the gas phase water abundance increases with depth as the photodissociation rates decline due to dust attenuation of the ultraviolet field. However, beyond A(sub v) less than or approximately 2-8 the gas phase water abundance declines because the water freezes as water ice on the grains, and photodesorption is no longer effective in clearing the ice. A peak water abundance of about 10(exp -6) to 10(exp -7) occurs at about A(sub v) approximately 2-8, relatively independent of the gas density and the ultraviolet field. We show that such a model matches very closely the observations of the Submillimeter Wave Astronomical Satellite (SWAS), a NASA Small Explorer Mission. The model elucidates several mechanisms that have been recently invoked to understand gas phase chemistry in clouds, including-the freeze-out of molecules onto grain surface, the desorption of these molecules from the surfaces, and the abundance gradients of molecules as functions of depth into molecular clouds.

Hollenbach, David↗

Physics of Hard Spheres Experiment: Significant and Quantitative Findings Made

Direct examination of atomic interactions is difficult. One powerful approach to visualizing atomic interactions is to study near-index-matched colloidal dispersions of microscopic plastic spheres, which can be probed by visible light. Such spheres interact through hydrodynamic and Brownian forces, but they feel no direct force before an infinite repulsion at contact. Through the microgravity flight of the Physics of Hard Spheres Experiment (PHaSE), researchers have sought a more complete understanding of the entropically driven disorder-order transition in hard-sphere colloidal dispersions. The experiment was conceived by Professors Paul M. Chaikin and William B. Russel of Princeton University. Microgravity was required because, on Earth, index-matched colloidal dispersions often cannot be density matched, resulting in significant settling over the crystallization period. This settling makes them a poor model of the equilibrium atomic system, where the effect of gravity is truly negligible. For this purpose, a customized light-scattering instrument was designed, built, and flown by the NASA Glenn Research Center at Lewis Field on the space shuttle (shuttle missions STS 83 and STS 94). This instrument performed both static and dynamic light scattering, with sample oscillation for determining rheological properties. Scattered light from a 532- nm laser was recorded either by a 10-bit charge-coupled discharge (CCD) camera from a concentric screen covering angles of 0 to 60 or by sensitive avalanche photodiode detectors, which convert the photons into binary data from which two correlators compute autocorrelation functions. The sample cell was driven by a direct-current servomotor to allow sinusoidal oscillation for the measurement of rheological properties. Significant microgravity research findings include the observation of beautiful dendritic crystals, the crystallization of a "glassy phase" sample in microgravity that did not crystallize for over 1 year in 1g (Earth's gravity), and the emergence of face-centered-cubic (FCC) crystals late in the coarsening process (as small crystallites lost particles to the slow ripening of large crystallites). Significant quantitative findings from the microgravity experiments have been developed describing complex interactions among crystallites during the growth process, as concentration fields overlap in the surrounding disordered phase. Time-resolved Bragg scattering under microgravity captures one effect of these interactions quite conclusively for the sample at a volume fraction of 0.528. From the earliest time until the sample is almost fully crystalline, the size and overall crystallinity grow monotonically, but the number of crystallites per unit volume (number density) falls. Apparently nucleation is slower than the loss of crystallites because of the transfer of particles from small to large crystals. Thus, coarsening occurs simultaneously with growth, rather than following the completion of nucleation and growth as is generally assumed. In the same sample, an interesting signature appears in the apparent number density of crystallites and the volume fraction within the crystallites shortly before full crystallinity is reached. A brief upturn in both indicates the creation of more domains of the size of the average crystallite simultaneous with the compression of the crystallites. Only the emergence of dendritic arms offers a reasonable explanation. The arms would be "seen" by the light scattering as separate domains whose smaller radii of curvature would compress the interior phase. In fiscal year 1999, numerous papers, a doctoral dissertation, and the PHaSE final report were produced. Although this flight project has been completed, plans are in place for a follow-on colloid experiment by Chaikin and Russel that employs a light microscope within Glenn's Fluids and Combustion Facility on the International Space Station. PHaSE is providing us with a deeper understanding of the nure of phase transitions. The knowledge derived has added to the understanding of condensed matter. In addition, the burgeoning study of the dynamics of colloidal self-assembly may lead to the development of a range of photonic materials that control the desirable properties of light. Thus, applications of ordered colloidal structures include not only ultrastructure ceramics, but also photonic crystals and photothermal nanosecond light-switching devices. Industries dealing with semiconductors, electro-optics, ceramics, and composites stand to benefit from such advancements.

Doherty, Michael P.↗

Observation of Central Exclusive Diphoton Production at the Tevatron

We have observed exclusive γγ production in proton-antiproton collisions at the Tevatron at √ s = 1.96 TeV. We use data corresponding to 1.11 ± 0.07 fb-1 integrated luminosity taken by the Run II Collider Detector at Fermilab, with a trigger requiring two electromagnetic showers, each with transverse energy ET > 2 GeV, and vetoing on hits in the forward beam shower counters. We select events with two electromagnetic showers, each with transverse energy ET > 2.5 GeV and pseudorapidity |η| < 1.0, with no other particles detected in -7.4 < η < +7.4. The two showers have similar ET and an azimuthal angle separation Δφ ~ π; we find 34 events with exactly two matching charged particle tracks, agreeing with expectations for the QED process p¯p → p+e+e- + ¯p by two photon exchange; and we find 43 events with no tracks. The latter are candidates for the exclusive process p¯p → p + γγ + ¯p by double pomeron exchange. We use the strip and wire chambers at the longitudinal shower maximum position within the calorimeter to measure a possible exclusive background from IP + IP → π0π0, and conclude that it is consistent with zero and is < 15 events at 95% C.L. The measured cross section is σγγ,excl(|η| < 1, ET (γ) > 2.5 GeV) = 2.48 +0.40 -0.35(stat) +0.40 -0.51(syst) pb and in agreement with the theoretical predictions. This process is closely related to exclusive Higgs boson production pp → p + H + p at the Large Hadron Collider. The observation of the exclusive production of diphotons shows that exclusive Higgs production can happen and could be observed with a proper experimental setup.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Downstream plasma transport and metal ionization in a high-powered pulsed-plasma magnetron

Downstream plasma transport and ionization processes in a high-powered pulsed-plasma magnetron were studied. The temporal evolution and spatial distribution of electron density (n{sub e}) and temperature (T{sub e}) were characterized with a 3D scanning triple Langmuir probe. Plasma expanded from the racetrack region into the downstream region, where a high n{sub e} peak was formed some time into the pulse-off period. The expansion speed and directionality towards the substrate increased with a stronger magnetic field (B), largely as a consequence of a larger potential drop in the bulk plasma region during a relatively slower sheath formation. The fraction of Cu ions in the deposition flux was measured on the substrate using a gridded energy analyzer. It increased with higher pulse voltage. With increased B field from 200 to 800 Gauss above racetrack, n{sub e} increased but the Cu ion fraction decreased from 42% to 16%. A comprehensive model was built, including the diffusion of as-sputtered Cu flux, the Cu ionization in the entire plasma region using the mapped n{sub e} and T{sub e} data, and ion extraction efficiency based on the measured plasma potential (V{sub p}) distribution. The calculations matched the measurements and indicated the main causes of lower Cu ion fractions in stronger B fields to be the lower T{sub e} and inefficient ion extraction in a larger pre-sheath potential.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

First step toward a synthetic diagnostic for magnetic fluctuation measurements using cross-polarization scattering on DIII-D

Cross-polarization scattering (CPS) provides localized magnetic fluctuation ($\tilde{B}$) measurements in fusion plasmas based on the process where $\tilde{B}$ scatters electromagnetic radiation into the orthogonal polarization. The CPS system on DIII-D utilizes the probe beam of a Doppler backscattering (DBS) diagnostic combined with a cross-view CPS receiver system, which allows simultaneous density and $\tilde{B}$ measurements with good spatial and wavenumber coverage. The interpretation of the signals is challenging due to the complex plasma propagation of the DBS probe beam and CPS receive beams. A synthetic diagnostic for CPS is therefore essential to interpret data and perform detailed validation tests of non-linear turbulence simulations. This work reports a first step toward a synthetic diagnostic for CPS utilizing GENRAY, a 3-D ray tracing code, to simulate the propagation of the probe and scattered rays. The local $\tilde{B}$ wavenumber is calculated from the local O- and X-mode wavenumbers using the wave vector matching scattering condition. The CPS wavenumber values and spatial locations are determined by a complex consideration that includes the local density and $\tilde{B}$ level, receive antenna pattern and orientation, scattering volume, wavenumber values detected at the various scattering centers, and alignment of the magnetic wave vector with the plane perpendicular to the magnetic field. The issue of a spurious CPS signal due to polarization mismatches for launch and receive is also discussed. It is suggested that simultaneous O- and X-mode DBS measurements should be utilized for better understanding of the CPS signal contamination when the cutoff locations for both polarizations are close.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Characterization of Exoplanet Atmospheres with the Optical Coronagraph on WFIRST

Wide-Field Infrared Survey Telescope (WFIRST)-CGI is a NASA technology demonstration mission that is charged with demonstrating key technologies for future exo-Earth imaging missions in space. In the process, it will obtain images and low-resolution spectra of a handful to a dozen extrasolar planets and possibly protoplanetary disks. Its unprecedented contrast levels in the optical will provide astronomers’ with their first direct look at mature, Jupiter-sized planets at moderate separations. This paper addresses the question: what science can be done with such data? An analytic noise model, which is informed by the ongoing engineering developments, is used to compute maximum achievable signal-to-noise ratios and scientifically viable integration times for hypothetical star–planet systems, as well as to investigate the constraining power of various combinations of WFIRST-CGI photometric and spectral observations. This work introduces two simple models for planetary geometric albedos, which are inspired largely by the solar system’s gas giants. The first planet model is a hybrid Jupiter–Neptune model, which separately treats the short and long wavelengths where chromophores and methane dominate absorption, respectively. The second planet model fixes cloud and haze properties in CoolTLusty to match Jupiter’s albedo spectrum, it then perturbs only the metallicity. MCMC retrievals performed on simulated observations are used to assess the precision with which planet model parameters can be measured subject to different exposure times and observing cases. Planet radius is recovered within ±15% for all observing cases with both the hybrid model and the CoolTLusty metallicity grid. Fit results for both models’ parameterizations of geometric albedo spectra demonstrate that a rough indication of the metallicity or methane content should be possible for some WFIRST-CGI targets. We conclude that real observations will likely be able to differentiate between extreme cases using these models, but will lack the precision necessary to uncover subtle trends.

79 ASTRONOMY AND ASTROPHYSICS↗

Exploration of oxidative chemistry and secondary organic aerosol formation in the Amazon during the wet season: explicit modeling of the Manaus urban plume with GECKO-A

The GoAmazon 2014/5 field campaign took place in Manaus, Brazil, and allowed the investigation of the interaction between background-level biogenic air masses and anthropogenic plumes. We present in this work a box model built to simulate the impact of urban chemistry on biogenic secondary organic aerosol (SOA) formation and composition. An organic chemistry mechanism is generated with the Generator for Explicit Chemistry and Kinetics of Organics in the Atmosphere (GECKO-A) to simulate the explicit oxidation of biogenic and anthropogenic compounds. A parameterization is also included to account for the reactive uptake of isoprene oxidation products on aqueous particles. The biogenic emissions estimated from existing emission inventories had to be reduced to match measurements. The model is able to reproduce ozone and NO x for clean and polluted situations. The explicit model is able to reproduce background case SOA mass concentrations but does not capture the enhancement observed in the urban plume. The oxidation of biogenic compounds is the major contributor to SOA mass. A volatility basis set (VBS) parameterization applied to the same cases obtains better results than GECKO-A for predicting SOA mass in the box model. The explicit mechanism may be missing SOA-formation processes related to the oxidation of monoterpenes that could be implicitly accounted for in the VBS parameterization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Three-body Final State Interaction in η→3π

We present an unitary dispersive model for the $\eta \to 3 \pi$ decay process based upon the Khuri-Treiman equations which are solved by means of the Pasquier inversion method. The description of the hadronic final-state interactions for the $\eta \to 3\pi$ decay is essential to reproduce the available data and to understand the existing discrepancies between Dalitz plot parameters from experiment and chiral perturbation theory. Our approach incorporates substraction constants that are fixed by fitting the recent high-statistics WASA-at-COSY data for $\eta \to \pi^+ \pi^- \pi^0$. Based on the parameters obtained we predict the slope parameter for the neutral channel to be $\alpha=-0.022\pm 0.004$. Through matching to next-to-leading order chiral perturbation theory we estimate the quark mass double ratio to be $Q=21.4 \pm 0.4$.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A View of the Lunar Interior Through Lunar Laser Range Analysis

Laser ranges between observatories on the Earth and retroreflectors on the Moon started in 1969 and continue to the present. Recent range accuracies are 2 cm while earliest ranges are an C, order of magnitude less certain. Four retroreflectors are ranged: three located at the Apollo 11, 14, and 15 sites and one on the Lunakhod 2 rover. Accurate analysis of the range data determines a number of lunar science parameters. The lunar interior variables include a fluid core parameter. The Lunar Laser Ranging effort is reviewed elsewhere. Many parameters are detected through their influence on rotation. Also detected are solid-body tides and accurate selenocentric reflector locations. Determined through the rotation are moment-of-inertia differences, gravitational harmonics, potential Love number, and dissipation effects due to tides and molten core. The rotation of the Moon is not at its minimum energy state; some recently active process has caused free librations. The moment differences contributed to the recent improvement of the Moon's moment of inertia from the Lunar Prospector gravity field. The Love numbers provide bulk elastic properties. Future possibilities for measurement include oblateness of the core-mantle boundary and core moment. A study of dissipation signatures in the rotation determines tidal Q vs. frequency and concludes that the Moon has a molten core. At 1 month the tidal Q is 37 and at 1 yr it is 60. The core radius is < or = 352 km for Fe and < or = 374 km for the Fe-FeS eutectic. The core detection exceeds 3x its uncertainty. The spin of the core is not aligned with the spin of the mantle and torque arises from the velocity difference at the boundary. Yoder's turbulent boundary layer theory is used to compute the radii. The present heat generation from tides and core interaction is minor compared to radiogenic heating. The heating for ancient times is more interesting. Peale and Cassen investigated lunar tidal heating while the lunar orbit expanded due to tides on Earth. Their calculations predate the measurement of Q and should be multiplied by 3.45 to match the lunar-laser-determined Love number and monthly Q. Tidal-heating computations depend on how fast the lunar orbit evolved and whether the tidal dissipation is localized. Neither is known, but plausible assumptions lead to early central region temperature increases of several hundred degrees. Most of the energy is deposited early in the Moon's history. The turbulent boundary layer theory allows a prediction of energy dissipated at the core-mantle boundary during orbit evolution. Under the assumption that the properties of the early core are the same as at present, the energy dissipated by core-mantle interaction is about the same as for tidal dissipation, but it is deposited in a smaller volume. This source of energy is capable of promoting convection in an early fluid core and driving a dynamo. This is a transient phase with a duration depending on the rate of orbit evolution. Plausible assumptions lead to a duration of a few hundred million years. Thus, the remnant magnetization of many lunar rocks is compatible with a brief global magnetic field powered by dynamical energy dissipation. Analysis of the lunar laser ranges is providing information on lunar geophysics. Future data will improve accuracies of present solution parameters, and several more interior effects should be detectable.

Williams, J. G.↗

Harmonizing solar induced fluorescence across spatial scales, instruments, and extraction methods using proximal and airborne remote sensing: A multi-scale study in a soybean field

Solar-induced chlorophyll fluorescence (SIF) has been widely used to track vegetation photosynthesis at different scales ranging from in-situ measurements to satellite products. Airborne platforms sample SIF data at a spatial scale intermediate between in-situ and satellite, matching that of ground measurement (e.g. flux tower footprints and other field sampling), enabling us to explore causes of SIF variation and validate satellite-based SIF products. However, harmonizing SIF across sensors and platforms (correcting for systematic errors to yield a consistent, comparable SIF product) is challenging because SIF can be retrieved in different absorption windows, with different instruments and methods complicating the comparison between different observational levels (i.e., ground, airborne, satellites) and between sites equipped with different instruments with varying optical properties (spectral resolution and sampling intervals, spatial resolution). Additionally, the spatial and temporal variability of atmospheric properties can influence the retrieval of the weak SIF signal. Because of these complications, direct comparisons of airborne and ground SIF across scales are rarely attempted. Here, in this study, we combined airborne SIF data with simultaneous ‘ground truth’ data collected by stationary and mobile platforms in a soybean field in Nebraska, USA. In this effort, we tested several SIF extraction methods, including Fraunhofer Line Discrimination (FLD), improved Fraunhofer Line Discrimination (iFLD), Spectral Fitting Method (SFM), SpecFit, and a Singular Vector Decomposition (SVD) method. The SpecFit method was sensitive to the 715–740 nm water bands and removing the water bands in the fitting process yielded better agreement between the airborne and ground SIF spectra. Accurate estimation of the ground level downwelling irradiance obtained by ground measurements over a calibration target improved agreement between airborne and ground SIF retrievals at the O 2 A band, and allowed us to derive a SIF dataset with improved agreement across platforms and sampling scales. This experimental approach provided a method for generating comparable SIF signals across instruments, methods and platforms, which is critical to understanding the SIF-GPP relationship at different scales and to cross-validate the diversity of platforms used for satellite products calibration and validation.

54 ENVIRONMENTAL SCIENCES↗

A subleading power operator basis for the scalar quark current

Factorization theorems play a crucial role in our understanding of the strong interaction. For collider processes they are typically formulated at leading power and much less is known about power corrections in the λ << 1 expansion. Here we present a complete basis of power suppressed operators for a scalar quark current at O(λ 2 ) in the amplitude level power expansion in the Soft Collinear Effective Theory, demonstrating that helicity selection rules significantly simplify the construction. This basis applies for the production of any color singlet scalar in qq¯¯ annihilation (such as bb¯¯→H ). We also classify all operators which contribute to the cross section at O(λ 2 ) and perform matching calculations to determine their tree level Wilson coefficients. Furthermore, these results can be exploited to study power corrections in both resummed and fixed order perturbation theory, and for analyzing the factorization properties of gauge theory amplitudes and cross sections at subleading power.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Identification of boosted Higgs bosons decaying into b -quark pairs with the ATLAS detector at 13 TeV

This study describes a study of techniques for identifying Higgs bosons at high transverse momenta decaying into bottom-quark pairs, $H → b\bar{b}$, for proton–proton collision data collected by the ATLAS detector at the Large Hadron Collider at a centre-of-mass energy $\sqrt{\bar{s}}$ = 13 TeV. These decays are reconstructed from calorimeter jets found with the anti-$k_t R$ = 1.0 jet algorithm. To tag Higgs bosons, a combination of requirements is used: b -tagging of $R$ = 0.2 track-jets matched to the large- R calorimeter jet, and requirements on the jet mass and other jet substructure variables. The Higgs boson tagging efficiency and corresponding multijet and hadronic top-quark background rejections are evaluated using Monte Carlo simulation. Several benchmark tagging selections are defined for different signal efficiency targets. The modelling of the relevant input distributions used to tag Higgs bosons is studied in 36 fb -1 of data collected in 2015 and 2016 using $g → b\bar{b}$ and $Z(→ b\bar{b})γ$ event selections in data. Both processes are found to be well modelled within the statistical and systematic uncertainties.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

H i -rich but low star formation galaxies in MaNGA: physical properties and comparison to control samples

ABSTRACT Gas-rich galaxies are typically star forming. We make use of H i-MaNGA, a programme of H i follow-up for the Mapping Nearby Galaxies at Apache Point Observatory (MaNGA) survey of the Sloan Digital Sky Surveys, to construct a sample of unusual neutral hydrogen (H i, 21 cm)-rich galaxies that have low star formation rates (SFRs), using infrared colour from the Wide-field Infrared Survey Explorer as a proxy for specific SFR. Out of a set of 1575 MaNGA galaxies with H i-MaNGA detections, we find that 83 (5 per cent) meet our selection criteria to be H i rich with low SFR. We construct two stellar mass-matched control samples: H i-rich galaxies with typical SFR (high SF control) and H i-poor galaxies with low SFR (low H i control). We investigate the properties of each of these samples, comparing physical parameters such as ionization state maps, stellar and ionized gas velocity and dispersion, environment measures, metallicity, and morphology to search for the reasons why these unusual H i-rich galaxies are not forming stars. We find evidence for recent external accretion of gas in some galaxies (via high counter-rotating fractions), along with some evidence for active galactic nucleus (AGN) feedback (from a high central low-ionization emission-line region and/or red geyser fraction), and bar quenching (via an enhanced strong bar fraction). Some galaxies in the sample are consistent with simply having their H i in a high angular momentum, large-radius, low-density disc. We conclude that no single physical process can explain all H i-rich, low-SFR galaxies.

Astronomy & Astrophysics↗

Perceptual Image Compression in Telemedicine

The next era of space exploration, especially the "Mission to Planet Earth" will generate immense quantities of image data. For example, the Earth Observing System (EOS) is expected to generate in excess of one terabyte/day. NASA confronts a major technical challenge in managing this great flow of imagery: in collection, pre-processing, transmission to earth, archiving, and distribution to scientists at remote locations. Expected requirements in most of these areas clearly exceed current technology. Part of the solution to this problem lies in efficient image compression techniques. For much of this imagery, the ultimate consumer is the human eye. In this case image compression should be designed to match the visual capacities of the human observer. We have developed three techniques for optimizing image compression for the human viewer. The first consists of a formula, developed jointly with IBM and based on psychophysical measurements, that computes a DCT quantization matrix for any specified combination of viewing distance, display resolution, and display brightness. This DCT quantization matrix is used in most recent standards for digital image compression (JPEG, MPEG, CCITT H.261). The second technique optimizes the DCT quantization matrix for each individual image, based on the contents of the image. This is accomplished by means of a model of visual sensitivity to compression artifacts. The third technique extends the first two techniques to the realm of wavelet compression. Together these two techniques will allow systematic perceptual optimization of image compression in NASA imaging systems. Many of the image management challenges faced by NASA are mirrored in the field of telemedicine. Here too there are severe demands for transmission and archiving of large image databases, and the imagery is ultimately used primarily by human observers, such as radiologists. In this presentation I will describe some of our preliminary explorations of the applications of our technology to the special problems of telemedicine.

Watson, Andrew B.↗

Effects of Flow Profile on Educed Acoustic Liner Impedance

This paper presents results of an investigation of the effects of shear flow profile on impedance eduction processes employed at NASA Langley. Uniform and 1-D shear-flow propagation models are used to educe the acoustic impedance of three test liners based on aeroacoustic data acquired in the Langley Grazing Flow Impedance Tube, at source levels of 130, 140 and 150 dB, and at centerline Mach numbers of 0.0, 0.3 and 0.5. A ceramic tubular, calibration liner is used to evaluate the propagation models, as this liner is expected to be insensitive to SPL, grazing flow Mach number, and flow profile effects. The propagation models are then used to investigate the effects of shear flow profile on acoustic impedances educed for two conventional perforate-over-honeycomb liners. Results achieved with the uniform-flow models follow expected trends, but those educed with the 1-D shear-flow model do not, even for the calibration liner. However, when the flow profile used with the shear-flow model is varied to increase the Mach number gradient near the wall, results computed with the shear-flow model are well matched to those achieved with the uniform-flow model. This indicates the effects of flow profile on educed acoustic liner impedance are small, but more detailed investigations of the flow field throughout the duct are needed to better understand these effects.

Jones, Michael G.↗

A Decentralized Approach for Modeling Organized Convection Based on Thermal Populations on Microgrids

Abstract In this study, a spectral model for convective transport is coupled to a thermal population model on a two‐dimensional horizontal “microgrid,” covering the typical gridbox size of general circulation models. The goal is to explore new ways of representing impacts of spatial organization in cumulus cloud fields. The thermals are considered the smallest building block of convection, with thermal life cycle and movement represented through binomial functions. Thermals interact through two simple rules, reflecting pulsating growth and environmental deformation. Long‐lived thermal clusters thus form on the microgrid, exhibiting scale growth and spacing that represent simple forms of spatial organization and memory. Size distributions of cluster number are diagnosed from the microgrid through an online clustering algorithm, and provided as input to a spectral multiplume eddy‐diffusivity mass flux scheme. This yields a decentralized transport system, in that the thermal clusters acting as independent but interacting nodes that carry information about spatial structure. The main objectives of this study are (a) to seek proof of concept of this approach, and (b) to gain insight into impacts of spatial organization on convective transport. Single‐column model experiments demonstrate satisfactory skill in reproducing two observed cases of continental shallow convection. Metrics expressing self‐organization and spatial organization match well with large‐eddy simulation results. We find that in this coupled system, spatial organization impacts convective transport primarily through the scale break in the size distribution of cluster number. The rooting of saturated plumes in the subcloud mixed layer plays a key role in this process.

54 ENVIRONMENTAL SCIENCES↗

Measurement of the low-mass Drell-Yan differential cross section at √s = 7 TeV using the ATLAS detector

The differential cross section for the process Z/γ → ℓℓ (ℓ = e,μ) as a function of dilepton invariant mass is measured in pp collisions at √s = 7 TeV at the LHC using the ATLAS detector. The measurement is performed in the e and μ channels for invariant masses between 26 GeV and 66 GeV using an integrated luminosity of 1.6 fb -1 collected in 2011 and these measurements are combined. The analysis is extended to invariant masses as low as 12 GeV in the muon channel using 35 pb -1 of data collected in 2010. The cross sections are determined within fiducial acceptance regions and corrections to extrapolate the measurements to the full kinematic range are provided. Next-to-next-to-leading-order QCD predictions provide a significantly better description of the results than next-to-leading order QCD calculations, unless the latter are matched to a parton shower calculation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Explaining the structure sensitivity of Pt and Rh for aqueous-phase hydrogenation of phenol

Phenol is an important model compound to understand the thermocatalytic (TCH) and electrocatalytic hydrogenation (ECH) of biomass to biofuels. Although Pt and Rh are among the most studied catalysts for aqueous-phase phenol hydrogenation, the reason why certain facets are active for ECH and TCH is not fully understood. Herein, we identify the active facet of Pt and Rh catalysts for aqueous-phase hydrogenation of phenol and explain the origin of the size-dependent activity trends of Pt and Rh nanoparticles. Phenol adsorption energies extracted on the active sites of Pt and Rh nanoparticles on carbon by fitting kinetic data show that the active sites adsorb phenol weakly. We predict that the turnover frequencies (TOFs) for the hydrogenation of phenol to cyclohexanone on Pt(111) and Rh(111) terraces are higher than those on (221) stepped facets based on density functional theory modeling and mean-field microkinetic simulations. The higher activities of the (111) terraces are due to lower activation energies and weaker phenol adsorption, preventing high coverages of phenol from inhibiting hydrogen adsorption. We measure that the TOF for ECH of phenol increases as the Rh nanoparticle diameter increases from 2 to 10 nm at 298 K and -0.1 V vs the reversible hydrogen electrode, qualitatively matching prior reports for Pt nanoparticles. The increase in experimental TOFs as Pt and Rh nanoparticle diameters increase is due to a larger fraction of terraces on larger particles. These findings clarify the structure sensitivity and active site of Pt and Rh for the hydrogenation of phenol and will inform the catalyst design for the hydrogenation of bio-oils.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗