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Structure and Thermal Stability of (H 2 O) 4 Tetrahedron and (H 2 O) 6 Hexagon Adsorbed on NaY Zeolite Studied by Synchrotron-Based Time-Resolved X-ray Diffraction

Water adsorption and desorption features play an important role in determining the adsorptive and catalytic properties of zeolites. In this study, the extraframework structure (water and cations) in NaY faujasite zeolite was studied by synchrotron-based in situ time-resolved X-ray diffraction (TR-XRD) in combination with the Rietveld refinement method. It was observed that Na cations locating at different sites migrated between each other during the dehydration process. Water molecules at three separate sites showed interesting geometries: (H 2 O) 4 tetrahedron W1, (H 2 O) 6 ice-like hexagonal W2, and disordered triangle W3. Interactions between each form of water and Na cations were deeply investigated. Here, the stability of the waters followed the sequence of W1 > W3 > W2. This work provides insights into both framework structure and cation positions of model zeolite under actual working conditions, which helps fully understand the properties of zeolites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An efficient extrapolation to the (T)/CBS limit

We extrapolate to the perturbative triples (T)/complete basis set (CBS) limit using double ζ basis sets without polarization functions (Wesleyan-1-Triples-2ζ or “Wes1T-2Z”) and triple ζ basis sets with a single level of polarization functions (Wesleyan-1-Triples-3ζ or “Wes1T-3Z”). These basis sets were optimized for 102 species representing the first two rows of the Periodic Table. The species include the entire set of neutral atoms, positive and negative atomic ions, as well as several homonuclear diatomic molecules, hydrides, rare gas dimers, polar molecules, such as oxides and fluorides, and a few transition states. The extrapolated Wes1T-(2,3)Z triples energies agree with (T)/CBS benchmarks to within ±0.65 mE{sub h}, while the rms deviations of comparable model chemistries W1, CBS-APNO, and CBS-QB3 for the same test set are ±0.23 mE{sub h}, ±2.37 mE{sub h}, and ±5.80 mE{sub h}, respectively. The Wes1T-(2,3)Z triples calculation time for the largest hydrocarbon in the G2/97 test set, C{sub 6}H{sub 5}Me{sup +}, is reduced by a factor of 25 when compared to W1. The cost-effectiveness of the Wes1T-(2,3)Z extrapolation validates the usefulness of the Wes1T-2Z and Wes1T-3Z basis sets which are now available for a more efficient extrapolation of the (T) component of any composite model chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The abundance properties of nearby late-type galaxies. II. The relation between abundance distributions and surface brightness profiles

The relations between oxygen abundance and disk surface brightness (OH–SB relation) in the infrared W1 band are examined for nearby late-type galaxies. The oxygen abundances were presented in Paper I. The photometric characteristics of the disks are inferred here using photometric maps from the literature through bulge-disk decomposition. We find evidence that the OH–SB relation is not unique but depends on the galactocentric distance r (taken as a fraction of the optical radius R{sub 25}) and on the properties of a galaxy: the disk scale length h and the morphological T-type. We suggest a general, four-dimensional OH–SB relation with the values r, h, and T as parameters. The parametric OH–SB relation reproduces the observed data better than a simple, one-parameter relation; the deviations resulting when using our parametric relation are smaller by a factor of ∼1.4 than that of the simple relation. The influence of the parameters on the OH–SB relation varies with galactocentric distance. The influence of the T-type on the OH–SB relation is negligible at the centers of galaxies and increases with galactocentric distance. In contrast, the influence of the disk scale length on the OH–SB relation is at a maximum at the centers of galaxies and decreases with galactocentric distance, disappearing at the optical edges of galaxies. Two-dimensional relations can be used to reproduce the observed data at the optical edges of the disks and at the centers of the disks. The disk scale length should be used as a second parameter in the OH–SB relation at the center of the disk while the morphological T-type should be used as a second parameter in the relation at optical edge of the disk. The relations between oxygen abundance and disk surface brightness in the optical B and infrared K bands at the center of the disk and at optical edge of the disk are also considered. The general properties of the abundance–surface brightness relations are similar for the three considered bands B, K, and W1.

79 ASTRONOMY AND ASTROPHYSICS↗

DES J0454-4448: discovery of the first luminous z ≥ 6 quasar from the Dark Energy Survey

We present the first results of a survey for high-redshift, z ≥ 6, quasars using izY multicolour photometric observations from the Dark Energy Survey (DES). Here we report the discovery and spectroscopic confirmation of the z AB , Y AB = 20.2, 20.2 (M 1450 = -26.5) quasar DES J0454-4448 with a redshift of z = 6.09±0.02 based on the onset of the Ly α forest and an H I near zone size of 4.1 +1.1 -1.2 proper Mpc. The quasar was selected as an i-band drop out with i-z = 2.46 and z AB < 21.5 from an area of ~300 deg 2 . It is the brightest of our 43 candidates and was identified for spectroscopic follow-up solely based on the DES i-z and z-Y colours. The quasar is detected by WISE and has W1 AB = 19.68. The discovery of one spectroscopically confirmed quasar with 5.7 < z < 6.5 and zAB ≤ 20.2 is consistent with recent determinations of the luminosity function at z ~ 6. DES when completed will have imaged ~5000 deg 2 to Y AB = 23.0 (5σ point source) and we expect to discover 50–100 new quasars with z > 6 including 3–10 with z > 7 dramatically increasing the numbers of quasars currently known that are suitable for detailed studies.

79 ASTRONOMY AND ASTROPHYSICS↗

SU-F-T-561: Energy Dependence of a Scintillation Detector

Purpose: To investigate the response and dose rate dependence of a scintillation detector over a wide energy range. Methods: The energy dependence of W1 scintillation detector was tested with: 1) 50–225 keV beams generated by an animal irradiator, 2) a Leksell Gamma Knife Perfexion Co-60 source, 3) 6MV, 6FFF, 10FFF and 15MV photon beams, and 4) 6–20MeV electron beams from a linac. Calibrated linac beams were used to deliver 100 cGy to the detector at dmax in water under reference conditions. The gamma-knife measurement was performed in solid water (100 cGy with 16mm collimator). The low energy beams were calibrated with an ion chamber in air (TG-61), and the scintillation detector was placed at the same location as the ionization chamber during calibration. For the linac photon and electron beams, dose rate dependence was tested for 100–2400 and 100–800 MU/min. Results: The scintillation detector demonstrated strong energy dependence in the range of 50–225keV. The measured values were lower than the delivered dose and increased as the energy increased. Therapeutic photon beams showed energy independence with variations less than 1%. Therapeutic electron beams displayed the same sensitivity of ∼2–3% at their corresponding dmax depths. The change in dose-rate of photon and electron beams within the therapeutic energy range did not affect detector output (<0.5%). Measurements acquired with the gamma knife showed that the output data agreed with the delivered dose up to 3%. Conclusion: W1 scintillation detector output has a strong energy dependence in the diagnostic and orthovoltage energy range. Therapeutic photon beams exhibited energy independence with no observable dose-rate dependence. This study may aid in the implementation of a scintillation detector in QA programs by providing energy calibration factors.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

SPITZER SPACE TELESCOPE MID-IR LIGHT CURVES OF NEPTUNE

We have used the Spitzer Space Telescope in 2016 February to obtain high cadence, high signal-to-noise, 17 hr duration light curves of Neptune at 3.6 and 4.5 μ m. The light curve duration was chosen to correspond to the rotation period of Neptune. Both light curves are slowly varying with time, with full amplitudes of 1.1 mag at 3.6 μ m and 0.6 mag at 4.5 μ m. We have also extracted sparsely sampled 18 hr light curves of Neptune at W1 (3.4 μ m) and W2 (4.6 μ m) from the Wide-feld Infrared Survey Explorer ( WISE )/ NEOWISE archive at six epochs in 2010–2015. These light curves all show similar shapes and amplitudes compared to the Spitzer light curves but with considerable variation from epoch to epoch. These amplitudes are much larger than those observed with Kepler / K 2 in the visible (amplitude ∼0.02 mag) or at 845 nm with the Hubble Space Telescope ( HST ) in 2015 and at 763 nm in 2016 (amplitude ∼0.2 mag). We interpret the Spitzer and WISE light curves as arising entirely from reflected solar photons, from higher levels in Neptune’s atmosphere than for K 2. Methane gas is the dominant opacity source in Neptune’s atmosphere, and methane absorption bands are present in the HST 763 and 845 nm, WISE W1, and Spitzer 3.6 μ m filters.

79 ASTRONOMY AND ASTROPHYSICS↗

Time-resolved WISE /NEOWISE Coadds

We have used the first ~3 years of 3.4 μm (W1) and 4.6 μm (W2) observations from the WISE and NEOWISE missions to create a full-sky set of time-resolved coadds. As a result of the WISE survey strategy, a typical sky location is visited every six months and is observed during ≳ 12 exposures per visit, with these exposures spanning a ~1 day time interval. We have stacked the exposures within such ~1 day intervals to produce one coadd per band per visit - that is, one coadd every six months at a given position on the sky in each of W1 and W2. For most parts of the sky, we have generated six epochal coadds per band, with one visit during the fully cryogenic WISE mission, one visit during NEOWISE, and then, after a 33-month gap, four more visits during the NEOWISE-Reactivation mission phase. These coadds are suitable for studying long-timescale mid-infrared variability and measuring motions to ~1.3 mag fainter than the single-exposure detection limit. In most sky regions, our coadds span a 5.5-year time period and therefore provide a >10× enhancement in time baseline relative to that available for the AllWISE catalog's apparent motion measurements. As such, the signature application of these new coadds is expected to be motion-based identification of relatively faint brown dwarfs, especially those cold enough to remain undetected by Gaia.

79 ASTRONOMY AND ASTROPHYSICS↗

Galaxy and Mass Assembly (GAMA): Exploring the WISE Web in G12

We present an analysis of the mid-infrared Wide-field Infrared Survey Explorer (WISE) sources seen within the equatorial GAMA G12 field, located in the North Galactic Cap. Our motivation is to study and characterize the behavior of WISE source populations in anticipation of the deep multiwavelength surveys that will define the next decade, with the principal science goal of mapping the 3D large-scale structures and determining the global physical attributes of the host galaxies. In combination with cosmological redshifts, we identify galaxies from their WISE W1 (3.4 μm) resolved emission, and we also perform a star-galaxy separation using apparent magnitude, colors, and statistical modeling of star counts. The resulting galaxy catalog has ≃590,000 sources in 60 deg{sup 2}, reaching a W1 5σ depth of 31 μJy. At the faint end, where redshifts are not available, we employ a luminosity function analysis to show that approximately 27% of all WISE extragalactic sources to a limit of 17.5 mag (31 μJy) are at high redshift, z>1. The spatial distribution is investigated using two-point correlation functions and a 3D source density characterization at 5 Mpc and 20 Mpc scales. For angular distributions, we find that brighter and more massive sources are strongly clustered relative to fainter sources with lower mass; likewise, based on WISE colors, spheroidal galaxies have the strongest clustering, while late-type disk galaxies have the lowest clustering amplitudes. In three dimensions, we find a number of distinct groupings, often bridged by filaments and superstructures. Using special visualization tools, we map these structures, exploring how clustering may play a role with stellar mass and galaxy type.

79 ASTRONOMY AND ASTROPHYSICS↗

Composite Spectral Energy Distributions and Infrared–Optical Colors of Type 1 and Type 2 Quasars

We present observed mid-infrared and optical colors and composite spectral energy distributions (SEDs) of type 1 (broad-line) and 2 (narrow-line) quasars selected from Sloan Digital Sky Survey (SDSS) spectroscopy. A significant fraction of powerful quasars are obscured by dust and are difficult to detect in optical photometric or spectroscopic surveys. However, these may be more easily identified on the basis of mid-infrared (MIR) colors and SEDs. Using samples of SDSS type 1 and 2 matched in redshift and [O iii] luminosity, we produce composite rest-frame 0.2–15 μm SEDs based on SDSS, UKIDSS, and Wide-field Infrared Survey Explorer photometry and perform model fits using simple galaxy and quasar SED templates. The SEDs of type 1 and 2 quasars are remarkably similar, with the differences explained primarily by the extinction of the quasar component in the type 2 systems. For both types of quasar, the flux of the active galactic nucleus (AGN) relative to the host galaxy increases with AGN luminosity (L{sub [OIII]}) and redder observed MIR color, but we find only weak dependencies of the composite SEDs on mechanical jet power as determined through radio luminosity. We conclude that luminous quasars can be effectively selected using simple MIR color criteria similar to those identified previously (W1--W2>0.7; Vega), although these criteria miss many heavily obscured objects. Obscured quasars can be further identified based on optical–IR colors (for example, (u--W3 [AB])>1.4(W1--W2 [Vega])+3.2). These results illustrate the power of large statistical studies of obscured quasars selected on the basis of MIR and optical photometry.

79 ASTRONOMY AND ASTROPHYSICS↗

Evidence for Black Holes in Green Peas from WISE Colors and Variability

We explore the presence of active galactic nuclei (AGNs)/black holes in Green Pea galaxies (GPs), motivated by the presence of high-ionization emission lines such as He ii and [Ne iii] in their optical spectra. In order to identify AGN candidates, we used mid-infrared (MIR) photometric observations from the all-sky Wide-field Infrared Survey Explorer (WISE) mission for a sample of 1004 GPs. Considering only >5σ detections with no contamination from neighboring sources in AllWISE, we select 31 GPs out of 134 as candidate AGNs based on a stringent three-band WISE color diagnostic. Using multi-epoch photometry in W1 and W2 bands based on time-resolved unWISE coadd images, we find two sources exhibiting variability in both the WISE bands among 112 GPs with W1 ≤16 mag and no contamination from neighboring sources in unWISE. These two variable sources were selected as AGNs by the WISE three-band color diagnostic as well. Compared to variable AGN fractions observed among low-mass galaxy samples in previous studies, we find a higher fraction (~1.8%) of MIR variable sources among GPs, which demonstrates the uniqueness and importance of studying these extreme objects. Through this work, we demonstrate that MIR diagnostics are promising tools to select AGNs that may be missed by other selection techniques (including optical emission-line ratios and X-ray emission) in star formation-dominated, low-mass, low-metallicity galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

Nonlinear interaction of waves in boundary-layer flows

First-order nonlinear interactions of Tollmien-Schlichting waves of different frequencies and initial amplitudes in boundary-layer flows are analyzed by using the method of multiple scales. For the case of two waves, a strong nonlinear interaction exists if one of the frequencies w2 is twice the other frequency w1. Numerical results for flow past a flat plate show that this interaction mechanism is strongly destabilizing even in regions where either the fundamental or its harmonic is damped in the absence of the interaction. For the case of three waves, a strong nonlinear interaction exists when w3 = w2- w1. This combination resonance causes the amplitude of the wave with the difference frequency w3 to multiply many times in magnitude in a short distance even if it is damped in the absence of the interaction. The initial amplitudes play a dominant role in determining the changes in the amplitudes of the waves in both of these mechanisms.

Nayfeh, A. H.↗

The morphology and kinematics of the Cep IV star formation region

Rossano et al. (1980) have discussed the morphology and kinematics of Cep IV star formation region. The present investigation is concerned with H2CO observations which have been conducted to examine the relationship between the neutral and ionized gas in the Cep IV star formation region and to study the origin of the unusual kinematics and morphology of the stars, gas, and dust in this region. Six-cm H2CO observations were undertaken throughout a one half degree square area centered on the H II region W1. In addition, VLA observations of the Cep IV region at 6 and 20 cm were also performed. The neutral gas in the vicinity of W1 is found to be located in clouds having velocities of -13, -7, and 1 km/s. The gas at - 7 km/s appears to be undisturbed gas from the original dark cloud complex.

Grayzeck, E. J.↗

Spitzer Space Telescope Mid-IR Light Curves of Neptune

We have used the Spitzer Space Telescope in 2016 February to obtain high cadence, high signal-to-noise, 17 hr duration light curves of Neptune at 3.6 and 4.5 microns. The light curve duration was chosen to correspond to the rotation period of Neptune. Both light curves are slowly varying with time, with full amplitudes of 1.1 mag at 3.6 microns and 0.6 mag at 4.5 microns. We have also extracted sparsely sampled 18 hr light curves of Neptune at W1 (3.4 microns) and W2 (4.6 microns) from the Wide-field Infrared Survey Explorer (WISE)/NEOWISE archive at six epochs in 2010-2015. These light curves all show similar shapes and amplitudes compared to the Spitzer light curves but with considerable variation from epoch to epoch. These amplitudes are much larger than those observed with Kepler/K2 in the visible (amplitude approximately 0.02 mag) or at 845 nm with the Hubble Space Telescope (HST) in 2015 and at 763 nm in 2016 (amplitude approximately 0.2 mag). We interpret the Spitzer and WISE light curves as arising entirely from reflected solar photons, from higher levels in Neptune's atmosphere than for K2. Methane gas is the dominant opacity source in Neptune's atmosphere, and methane absorption bands are present in the HST 763 and 845 nm, WISE W1, and Spitzer 3.6 micron filters.

Individual (Neptune)↗

The Enigmatic Brown Dwarf WISEA J153429.75-104303.3 (a.k.a. "The Accident")

Continued follow-up of WISEA J153429.75−104303.3, announced in Meisner et al., has proven it to have an unusual set of properties. New imaging data from Keck/MOSFIRE and HST/WFC3 shows that this object is one of the few faint proper motion sources known withJ−ch2>8 mag, indicating a very cold temperature consistent with the latest known Y dwarfs. Despite this, it has W1−W2 and ch1−ch2 colors∼1.6 mag bluer than a typical Y dwarf. A new trigonometric parallax measurement from a combination of WISE, Spitzer, and HST astrometry confirms a nearby distance of-+16.31.21.4pc and a large transverse velocity of 207.4±15.9 km s−1. The absoluteJ,W2, and ch2 magnitudes are in line with the coldest known Y dwarfs, despite the highly discrepant W1−W2 andch1−ch2 colors. We explore possible reasons for the unique traits of this object and conclude that it is most likely an old, metal-poor brown dwarf and possibly the first Y subdwarf. Given that the object has an HST F110Wmagnitude of 24.7 mag, broadband spectroscopy and photometry from JWST are the best options for testing this hypothesis

J Davy Kirkpatrick↗

Discovery of CWISE J052306.42-015355.4, an Extreme T Subdwarf Candidate

We present the discovery of CWISE J052306.42−015355.4, which was found as a faint, significant proper-motion object (0(\farcs)52 ± 0(\farcs)08 per yr) using machine-learning tools on the unWISE re-processing of time series images from the Wide-field Infrared Survey Explorer. Using the CatWISE2020 W1 and W2 magnitudes along with a J-band detection from the VISTA Hemisphere Survey, the location of CWISE J052306.42−015355.4 on the W1 − W2 versus J − W2 diagram best matches that of other known, or suspected, extreme T subdwarfs. As there is currently very little knowledge concerning extreme T subdwarfs we estimate a rough distance of ≤68 pc, which results in a tangential velocity of ≤167 km/s, both of which are tentative. A measured parallax is greatly needed to test these values. We also estimate a metallicity of −1.5 < [M/H] < −0.5 using theoretical predictions.

Hunter Brooks↗

Piston for use in internal combustion engines and method of making the piston

An additive manufactured piston having a crown portion and a skirt portion form of an aluminum-cerium-silicon alloy. The piston includes a least one recess pocket in an unstressed region located at an interface between an inner surface of the crown portion and an outer surface of the skirt portion. The skirt portion includes an outer panel surface defining an external rib adjacent a peripheral end surface, at least one stiffening rib extending from a pin boss to a skirt end, and a wall thickness of between 0.2 mm and 1.0 mm in a region between the external rib and the at least one stiffening rib. The skirt portion further includes an internal first rib having a width W1 on a thrust side portion and an internal second rib having a width W2 located on an anti-thrust side portion, in which W1 is greater than W2.

Petrus, Ronald John↗

D1-S169A Substitution of Photosystem II Perturbs Water Oxidation

In photosystem II (PSII), photosynthetic water oxidation occurs at the tetramanganese–calcium cluster that cycles through light-induced intermediates (S 0 –S 4 ) to produce oxygen from two substrate waters. The surrounding hydrogen-bonded amino acid residues and waters form channels that facilitate proton transfer and substrate water delivery, thereby ensuring efficient water oxidation. The residue D1-S169 lies in the “narrow” channel and forms hydrogen bonds with the Mn 4 CaO 5 cluster via waters W1 and Wx. To probe the role of the narrow channel in substrate-water binding, we studied the D1-S169A mutation. PSII core complexes isolated from mutant cells exhibit inefficient S-state cycling and delayed oxygen evolution. The S 2 -state multiline EPR spectrum of D1-S169A PSII core complexes differed significantly from that of wild-type, and FTIR difference spectra showed that the mutation strongly perturbs the extensive network of hydrogen bonds that extends at least from D1-Y161 (Y Z ) to D1-D61. Finally, these results imply a possible role of D1-S169 in proton egress or substrate water delivery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗