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All sourcesNASA NTRSDOE OSTI
NASA NTRS2002

Tracer-based Determination of Vortex Descent in the 1999/2000 Arctic Winter

A detailed analysis of available in situ and remotely sensed N2O and CH4 data measured in the 1999/2000 winter Arctic vortex has been performed in order to quantify the temporal evolution of vortex descent. Differences in potential temperature (theta) among balloon and aircraft vertical profiles (an average of 19-23 K on a given N2O or CH4 isopleth) indicated significant vortex inhomogeneity in late fall as compared with late winter profiles. A composite fall vortex profile was constructed for 26 November 1999, whose error bars encompassed the observed variability. High-latitude extravortex profiles measured in different years and seasons revealed substantial variability in N2O and CH4 on theta surfaces, but all were clearly distinguishable from the first vortex profiles measured in late fall 1999. From these extravortex-vortex differences we inferred descent prior to 26 November: as much as 397 plus or minus 15 K (lsigma) at 30 ppbv N2O and 640 ppbv CH4, and falling to 28 plus or minus 13 K above 200 ppbv N2O and 1280 ppbv CH4. Changes in theta were determined on five N2O and CH4 isopleths from 26 November through 12 March, and descent rates were calculated on each N2O isopleth for several time intervals. The maximum descent rates were seen between 26 November and 27 January: 0.82 plus or minus 0.20 K/day averaged over 50- 250 ppbv N2O. By late winter (26 February to 12 March), the average rate had decreased to 0.10 plus or minus 0.25 K/day. Descent rates also decreased with increasing N2O; the winter average (26 November to 5 March) descent rate varied from 0.75 plus or minus 0.10 K/day at 50 ppbv to 0.40 plus or minus 0.11 K/day at 250 ppbv. Comparison of these results with observations and models of descent in prior years showed very good overall agreement. Two models of the 1999/2000 vortex descent, SLIMCAT and REPROBUS, despite theta offsets with respect to observed profiles of up to 20 K on most tracer isopleths, produced descent rates that agreed very favorably with the inferred rates from observation.

Greenblatt, Jeffrey B.↗
DOE OSTI2019

Krypton storage capacity of the Earth's lower mantle

Noble gases are important geochemical tracers allowing reconstructing global volatile cycles in Earth's reservoirs. To constrain these fundamental processes, precise data on their partitioning behavior at deep Earth conditions are needed. Such data are only available at moderate pressures up to 25 GPa due to experimental challenges. We have investigated the possibility of noble gas storage in the Earth's lower mantle up to 115 GPa. We studied the incorporation of krypton in the second most abundant lower mantle mineral (Mg 1-x ,Fe x )O (ferropericlase) as well as in liquid metal-alloys by performing experiments up to 115 GPa and 3700 K using the laser-heated diamond anvil cell coupled to post-mortem EMPA analysis and X-ray absorption spectroscopy. The results reveal that, at these extreme conditions, up to 3 wt.% of krypton can be stored in (Mg 1-x ,Fe x )O and 3000 ppm in the Fe-rich liquid metal. For both phases the storage capacities increase with pressure (between 40 GPa and 60 GPa) at a constant high temperature of 2300 K. Fpc has never been considered as a NG host, despite being the second most abundant mineral in the Earth's LM. Using recent accurate compressibility data, we demonstrate that a substitution of krypton into the anion site of (Mg 1-x ,Fe x )O in form of neutral oxygen Schottky defects at diluted lower mantle conditions is possible. This noble gas incorporation mechanism is in agreement with a previous study on bridgmanite. We show that (Mg 1-x ,Fe x )O exhibits higher noble gas storage capacities than bridgmanite through the lower mantle using lattice strain modeling and including experimental solubility and thermoelastic data for neon, argon, krypton and xenon. We also demonstrate that both phases exhibit the highest solubilities for argon and krypton. We used the solubility data from lattice strain modeling to predict noble gas abundances stored in the solid lower mantle after magma ocean crystallization. The modeled abundances show apparent similarities with estimates for the deep noble gas reservoir that are based on either 3He abundances in ocean island basalts or radiogenic 40Ar abundances in the bulk Earth. This strongly indicates that the crystalline lower mantle may play an important role as deep noble gas storage reservoir. We propose, based on considerations on noble gas replenishment from the lower mantle to the atmosphere, that the lower mantle can only contribute to a small fraction of the present-day atmospheric noble gases. This suggests that the lower mantle is an un-degassed reservoir.

58 GEOSCIENCES↗
DOE OSTI2022

Reaching for the Edge I: probing the outskirts of massive galaxies with HSC, DECaLS, SDSS, and Dragonfly

ABSTRACT The outer light (stellar haloes) of massive galaxies has recently emerged as a possible low scatter tracer of dark matter halo mass. To test the robustness of outer light measurements across different data sets, we compare the 1D azimuthally averaged surface brightness profiles of massive galaxies using four independent data sets: the Hyper Suprime-Cam survey (HSC), the Dark Energy Camera Legacy Survey (DECaLS), the Sloan Digital Sky Survey (SDSS), and the Dragonfly Wide Field Survey (Dragonfly). We test the sky subtraction and proposed corrections for HSC and DECaLS. For galaxies at z < 0.05, Dragonfly has the best control of systematics, reaching surface brightness levels of μr ≈ 30 mag arcsec−2. At 0.19 < z < 0.50, HSC can reliably recover individual surface brightness profiles to μr ≈ 28.5 mag arcsec−2 (R = 100–150 kpc in semimajor axis). In a statistical sense, DECaLS agrees with HSC to R > 200 kpc. DECaLS and HSC measurements of the stellar mass contained within 100 kpc agree within 0.05 dex. Finally, we use weak lensing to show that measurements of outer light with DECaLS at 0.19 < z < 0.50 show a similar promise as HSC as a low scatter proxy of halo mass. The tests and results from this paper represent an important step forward for accurate measurements of the outer light of massive galaxies and demonstrate that outer light measurements from DECam imaging will be a promising method for finding galaxy clusters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Small-Scale Drying: FY2020 Interim Report

This report documents the interim experimental status of small-scale drying tests currently being performed at Pacific Northwest National Laboratory. These small-scale drying tests are to develop the technical bases for sensors, techniques, and approaches that will be used to address the challenges faced when determining moisture content from gas samples taken at the North Anna Nuclear Generating Station for the High Burnup Demonstration Project. Specifically, the purpose of these tests is to support Sandia National Laboratories gas sample methods and analyses through a series of small-scale experiments. Key focus areas include performing tests to: • Correlate sample bottle measurements to in-cask conditions • Estimate the amount of trapped and absorbed water on cask features and surfaces that can contribute to water vapor • Assess the accuracy of the hygrometer used in the measurements under similar conditions • Identify additional methods for measuring humidity in casks easily and accurately using lessons-learned from Sandia National Laboratories, including direct gravimetric and isotopic tracer techniques. To address these topics this report outlines a series of five tests and any data collected to date that were planned for FY 2020 that include 1) humidity measurement method development, 2) gas bottle sampling tests, 3) surface drying tests on cladding, 4) small-scale drying of cladding, and 5) small-scale drying of guide-tube/dashpots. This interim report documents the experimental background, design and progress of these small-scale drying tests. Further data gathered will be summarized in the FY 2021 report.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

TRACER-MAP_2022_volatile_organic_compounds_PTRMS

VOCs collected by quadrupole proton transfer reaction mass spectrometry for July-August 2022. A description of this instrument is included in the related publication. The location of the measurement is indicated by latitude and longitude coordinates; TRACER-MAP included time at the AMF site in La Porte and additional sites around Houston. Data below the minimum detection limit are not included here.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1994

The accuracy of temperature distributions used to derive the net transport for a zonally averaged model

Comparisons of satellite-derived temperatures with correlative temperatures indicate that the LIMS temperatures are accurate and contain more of the needed vertical resolution for calculating a residual mean circulation for transporting tracer-like species. Generally, the LIMS temperatures are accurate to at least 2 K. Other satellite data sets are comprised of temperatures with coarser vertical resolution, leading to biases that occur with an error pattern that is characteristic of their resolution. Their biases exceed 2 K at some altitudes. Retrievals of species using an infrared limb emission technique are sensitive to any temperature bias. Generally, the IMS comparisons with other data sets for ozone and water vapor are good to better than 20 percent; this represents an independent confirmation of the quality of LIMS and temperatures. Zonal mean comparisons between LIMS and SAMS temperatures also indicate agreement to better than 2 K from about 7 to 2hPa. Therefore, we are confident that SAMS N2O and CH4 are relatively free of temperature bias in that region. These factors support the generally good agreement in G90 between model N2O transported using a LIMS-derived RMC and the N2O contours from SAMS.

Remsberg, Ellis E.↗
NASA NTRS1994

Low Ozone in the Marine Boundary Layer of the Tropical Pacific Ocean

Aircraft measurements of ozone, its key precursors, and a variety of chemical tracers were made in the troposphere of the western and central Pacific in October 1991. These data are presented and analyzed to examine the occurrence of low ozone concentrations in the remote marine boundary layer of the tropical and equatorial Pacific Ocean. The data from these flights out of Guam, covering an area extending from the equator to 20 N and from south of the Philippines to Hawaii, show average O3 concentrations as low as 8-9 ppb (ppb=10(exp-9)v/v) at altitudes of 0.3-0.5 km in the boundary layer. Individual measurements as low as 2-5 ppb were recorded. Low O3 concentrations do not always persist in space and time. High O3, generally associated with the transport of upper tropospheric air, was also encountered in the boundary layer. In practically all cases, O3 increased to values as large as 25-30 ppb within 2 km above the boundary layer top. Steady state model computations are used to suggest that these low O3 concentrations are a result of net photochemical O3 destruction in a low NO environment, sea-surface deposition, and extremely low net entrainment rates (1-2 mm per second) from the free troposphere. Day/night measurements of ethane, propane, gaseous and aerosol Cl suggest that daytime (morning) Cl atom concentrations in the vicinity of 10(exp 5) molecules per cubic centimeter may be present in the marine boundary layer. This Cl atom abundance can be rationalized only if sea salt aerosols can release free chlorine (Cl2) to the gas phase in the presence of sun light (and possibly O3). These Cl atom concentrations, however, are still insufficient and Cl (or Br) chemistry is not likely to be an important cause of the observed low O3.

Singh, Hanwant B.↗
NASA NTRS2014

Ozone Profiles in the Baltimore-Washington Region (2006-2011): Satellite Comparisons and DISCOVER-AQ Observations

Much progress has been made in creating satellite products for tracking the pollutants ozone and NO2 in the troposphere. Yet, in mid-latitude regions where meteorological interactions with pollutants are complex, accuracy can be difficult to achieve, largely due to persistent layering of some constituents. We characterize the layering of ozone soundings and related species measured from aircraft over two ground sites in suburban Washington, DC (Beltsville, MD, 39.05N; 76.9W) and Baltimore (Edgewood, MD, 39.4N; 76.3W) during the July 2011 DISCOVER-AQ (Deriving Information on Surface Conditions from Column and Vertically Resolved Observations Relevant to Air Quality) experiment. First, we compare column-ozone amounts from the Beltsville and Edgewood sondes with data from overpassing satellites. Second, processes influencing ozone profile structure are analyzed using Laminar Identification and tracers: sonde water vapor, aircraft CO and NOy. Third, Beltsville ozone profiles and meteorological influences in July 2011 are compared to those from the summers of 2006-2010. Sonde-satellite offsets in total ozone during July 2011 at Edgewood and Beltsville, compared to the Ozone Monitoring Instrument (OMI), were 3 percent mean absolute error, not statistically significant. The disagreement between an OMIMicrowave Limb Sounder-based tropospheric ozone column and the sonde averaged 10 percent at both sites, with the sonde usually greater than the satellite. Laminar Identification (LID), that distinguishes ozone segments influenced by convective and advective transport, reveals that on days when both stations launched ozonesondes, vertical mixing was stronger at Edgewood. Approximately half the lower free troposphere sonde profiles have very dry laminae, with coincident aircraft spirals displaying low CO (80-110 ppbv), suggesting stratospheric influence. Ozone budgets at Beltsville in July 2011, determined with LID, as well as standard meteorological indicators, resemble those of 4 of the previous 5 summers. The penetration of stratospheric air throughout the troposphere appears to be typical for summer conditions in the Baltimore-Washington region.

satellite validation↗
DOE OSTI2020

Bayesian Approach to Estimation of Water Table Elevations Using Historical Rasters as Prior Information 2019 - 20430

In cases of complex but only partially known geology and a lack of spatial control in observation well locations, water table elevation estimation is very challenging. In some cases, auxiliary information, such as observations of the movement of tracers, operation of injection and extraction wells, and calibration of groundwater models against the historical elevation data, can be combined with expert judgement to estimate flow directions in areas of sparse data and to aid in the production of more reliable contour maps (and associated rasters) than could be produced by relying on sparse well elevation data alone. Given a historical sequence of these raster maps, the question arises how to automate, to the extent possible, the process of producing new raster maps to reflect data from previous times, the current data and the operation of expert judgement. One solution is to adopt a Bayesian point of view and to regard the historical well elevation data, auxiliary information and historical raster maps as prior information. The well elevations for water table wells, as well as those for injection/extraction wells and the data associated with other relevant variables, can be viewed as predictors for the raster surface. From this prior information, we can, conditional on the values of these predictors for a new time period, compute an expected value map and a standard deviation map for the new raster. These then can be taken to specify a prior predictive distribution for the pixels in the new raster map. Then we condition the pixels, corresponding to water level observation wells within the raster, on the observed values in those wells (which in general will differ from the regression estimate) for the new time period. Given the smoothness of the water table surface, we then smooth the surface of deviations from the mean surface, based on the variograms of the historical rasters, and add this smoothed surface to the regression mean surface. The error structure of the produced raster map is defined by the regression error structure and the error due to smoothing based on the estimated variograms. This methodology has been developed and is being further refined for groundwater monitoring and remediation at LANL. It is a very flexible method that can also be applied with a variety of other predictors applied to model the water level wells in the area of interest over the historical record. The smoothness of the spatial process and its possible evolution over time can then be estimated from the residuals from this regression. This can be augmented by expert hydrogeological opinion based on site topography and hydrogeology. (authors)

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2019

Air Pollution Inputs to the Mojave Desert By Fusing Surface Mobile and Airborne in Situ and Airborne and Satellite Remote Sensing: A Case Study of Interbasin Transport With Numerical Model Validation

Deserts are fragile and highly sensitive ecosystems that increasingly are affected by upwind urban areas and industrial activities. The Los Angeles Basin (LAB) contributes to poor air quality in downwind deserts including the Mojave Desert. Few studies have investigated potential air pollution inputs to the Mojave, whose fragile ecosystem includes endangered plant and animal species. Data were collected on 19 August 2015 by a mobile air quality laboratory, AMOG (AutoMObile trace Gas) Surveyor, that observed inputs can arise from the LAB as well as the San Joaquin Valley (SJV), California. The campaign used a strong methane (CH4) plume as a tracer for the downwind fate of emissions from Bakersfield area petroleum production and also measured ozone (O3). Additional in situ concurrent airborne GHG and O3 data were collected by AJAX - Alpha Jet Atmospheric eXperiment. Both AMOG and AJAX measure winds. Mojave Desert air quality was very poor (visibility ~4 km). Based on the winds, an additional source was inferred beyond the LAB and SJV Basins. Numerical transport modeling and analysis of aerosol lidar data collected the same day by the Cloud Profiling LiDAR onboard the Earth Research-2 stratospheric airplane demonstrated that fires in Northern California were responsible, with prevailing winds transporting air southwards along the eastern Sierra Nevada Range (Bishop Valley) to the Mojave. Whereas the southern and eastern Mojave are impacted by SJV and LAB outflow, the north Mojave generally avoids these inputs. This study shows it can be affected by even distant wildfires, which likely will increase in occurrence and intensity from climate change. Thus, regulatory efforts to reduce air quality impacts on the endangered Mojave ecosystem must include wildfires and also account for the significant differences between different regions of the Mojave. Currently, there is a paucity of studies, highlighting the critical need for field research.

Ira Leifer↗
NASA NTRS1984

Determining highly elliptical earth orbits with VLBI and Delta-VLBI

This paper shows the feasibility of using Very Long Baseline Interferometric (VLBI) data acquired by the Deep Space Network to navigate highly elliptical earth orbiting satellites. The planned mission orbit of the Ion Release Module of the Active Magnetospheric Particle Tracer Explorers is used as a reference for developing strategies and provides the first opportunity for a possible flight demonstration with a spacecraft in a highly elliptical orbit. The navigation accuracy improvements achievable with VLBI and Delta-VLBI data types are determined for comparison with the capabilities of a reference Doppler strategy. The results show that strategies using wideband Delta-VLBI measurements taken near periapse perform best, determining apoapse position to an order of magnitude better than conventional Doppler, while also substantially reducing the required antenna support.

Frauenholz, R. B.↗
DOE OSTI2023

3D correlations in the Lyman-α forest from early DESI data

We present the first measurements of Lyman-α (Lyα) forest correlations using early data from the Dark Energy Spectroscopic Instrument (DESI). We measure the auto-correlation of Lyα absorption using 88 509 quasars at z > 2, and its cross-correlation with quasars using a further 147 899 tracer quasars at z ≳ 1.77. Then, we fit these correlations using a 13-parameter model based on linear perturbation theory and find that it provides a good description of the data across a broad range of scales. We detect the BAO peak with a signal-to-noise ratio of 3.8σ, and show that our measurements of the auto- and cross-correlations are fully-consistent with previous measurements by the Extended Baryon Oscillation Spectroscopic Survey (eBOSS). Even though we only use here a small fraction of the final DESI dataset, our uncertainties are only a factor of 1.7 larger than those from the final eBOSS measurement. As a result, we validate the existing analysis methods of Lyα correlations in preparation for making a robust measurement of the BAO scale with the first year of DESI data.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2001

Tracer-Based Determination of Vortex Descent in the 1999-2000 Arctic Winter

A detailed analysis of available in situ and remotely sensed N2O and CH4 data measured in the 1999-2000 winter Arctic vortex has been performed in order to quantify the temporal evolution of vortex descent. Differences in potential temperature (theta) among balloon and aircraft vertical profiles (an average of 19-23 K on a given N2O or CH4 isopleth) indicated significant vortex inhomogeneity in late fall as compared with late winter profiles. A composite fall vortex profile was constructed for November 26, 1999, whose error bars encompassed the observed variability. High-latitude, extravortex profiles measured in different years and seasons revealed substantial variability in N2O and CH4 on theta surfaces, but all were clearly distinguishable from the first vortex profiles measured in late fall 1999. From these extravortex-vortex differences, we inferred descent prior to November 26: 397+/-15 K (1sigma) at 30 ppbv N2O and 640 ppbv CH4, and 28+/-13 K above 200 ppbv N2O and 1280 ppbv CH4. Changes in theta were determined on five N2O and CH4 isopleths from November 26 through March 12, and descent rates were calculated on each N2O isopleth for several time intervals. The maximum descent rates were seen between November 26 and January 27: 0.82+/-0.20 K/day averaged over 50-250 ppbv N2O. By late winter (February 26-March 12), the average rate had decreased to 0.10+/-0.25 K/day. Descent rates also decreased with increasing N2O; the winter average (November 26-March 5) descent rate varied from 0.75+/-0.10 K/day at 50 ppbv to 0.40+/-0.11 K/day at 250 ppbv. Comparison of these results with observations and models of descent in prior years showed very good overall agreement. Two models of the 1999-2000 vortex descent, SLIMCAT and REPROBUS, despite theta offsets with respect to observed profiles of up to 20 K on most tracer isopleths, produced descent rates that agreed very favorably with the inferred rates from observation.

Greenblatt, Jeffery B.↗
NASA NTRS1986

Observations of mesoscale vertical velocities around frontal zones

Vertical velocity and reflectivity data obtained with a VHF Doppler radar over a 15-day period in October and November of 1981 are analyzed. Standard radiosonde data and surface observations were used to locate two occluded fronts, two warm fronts, and a cold front that passed the radar site. These fronts are also evident in the radar reflectivity data. Most studies of the vertical circulation patterns associated with mososcale systems have used precipitation and cloud formations as tracers. Unlike other observational techniques, the VHF radar permits the continuous measurement of the three-dimensional air velocity vector in time and height from a fixed location. With the beam in a vertically pointing position, signals are scattered from turbulent variations in the refractive index with half the scale of the radar wavelength and by regions with sudden changes in the refractive index associated with horizontally stratified layers. Generally, the strongest echoes occur at the maximum in the vertical gradient of refractivity, usually at the base of a temperature inversion, such as the tropopause. VHF radars can also be used to locate atmospheric fronts, which are characterized by static stability, large horizontal temperature gradients, large vorticities, and vertical wind shears. These radars can provide the velocity field data needed to study wave motions associated with fronts and compare the actual vertical circulation to theoretical predictions.

Dennis, T. S.↗
DOE OSTI2020

A Lagrangian perturbation theory in the presence of massive neutrinos

We develop a Lagrangian Perturbation Theory (LPT) framework to study the clustering of cold dark matter (CDM) in cosmologies with massive neutrinos. We follow the trajectories of CDM particles with Lagrangian displacements fields up to third order in perturbation theory. Once the neutrinos become non-relativistic, their density fluctuations are modeled as being proportional to the CDM density fluctuations, with a scale-dependent proportionality factor. This yields a gravitational back-reaction that introduces additional scales to the linear growth function, which is accounted for in the higher order LPT kernels. Through non-linear mappings from Eulerian to Lagrangian frames, we ensure that our theory has a well behaved large scale behavior free of unwanted UV divergences, which are common when neutrino and CDM densities are not treated on an equal footing, and in resummation schemes that manifestly break Galilean invariance. We use our theory to construct correlation functions for both the underlying matter field, as well as for biased tracers using ConvolutionLPT. Redshift-space distortions effects are modeled using the Gaussian Streaming Model. When comparing our analytical results to simulated data from the Quijote 1 simulation suite, we find good accuracy down to r = 20 Mpc h -1 at redshift z = 0.5, for the real space and redshift space monopole particle correlation functions with no free parameters. The same accuracy is reached for the redshift space quadrupole if we additionally consider an effective field theory parameter that shifts the pairwise velocity dispersion. For modeling the correlation functions of tracers we adopt a simple Lagrangian biasing scheme with only density and curvature operators, which we find sufficient to reach down to r = 20 Mpc h -1 when comparing to simulated halos.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2013

The HERschel Inventory of the Agents of Galaxy Evolution in the Magellanic Clouds, a HERschel Open Time Key Program

We present an overview or the HERschel Inventory of The Agents of Galaxy Evolution (HERITAGE) in the Magellanic Clouds project, which is a Herschel Space Observatory open time key program. We mapped the Large Magellanic Cloud (LMC) and Small Magellanic Cloud (SMC) at 100, 160, 250, 350, and 500 micron with the Spectral and Photometric Imaging Receiver (SPIRE) and Photodetector Array Camera and Spectrometer (PACS) instruments on board Herschel using the SPIRE/PACS parallel mode. The overriding science goal of HERITAGE is to study the life cycle of matter as traced by dust in the LMC and SMC. The far-infrared and submillimeter emission is an effective tracer of the interstellar medium (ISM) dust, the most deeply embedded young stellar objects (YSOs), and the dust ejected by the most massive stars. We describe in detail the data processing, particularly for the PACS data, which required some custom steps because of the large angular extent of a single observational unit and overall the large amount of data to be processed as an ensemble. We report total global fluxes for LMC and SMC and demonstrate their agreement with measurements by prior missions. The HERITAGE maps of the LMC and SMC are dominated by the ISM dust emission and bear most resemblance to the tracers of ISM gas rather than the stellar content of the galaxies. We describe the point source extraction processing and the critetia used to establish a catalog for each waveband for the HERITAGE program. The 250 micron band is the most sensitive and the source catalogs for this band have approx. 25,000 objects for the LMC and approx. 5500 objects for the SMC. These data enable studies of ISM dust properties, submillimeter excess dust emission, dust-to-gas ratio, Class 0 YSO candidates, dusty massive evolved stars, supemova remnants (including SN1987A), H II regions, and dust evolution in the LMC and SMC. All images and catalogs are delivered to the Herschel Science Center as part of the conummity support aspects of the project. These HERITAGE images and catalogs provide an excellent basis for future research and follow up with other facilities.

AGENTS↗
NASA NTRS2011

Atomic Data for Neutron-capture Elements I. Photoionization and Recombination Properties of Low-charge Selenium Ions

We present multi-configuration Breit-Pauli AUTOSTRUCTURE calculations of distorted-wave photoionization (PI) cross sections. and total and partial final-state resolved radiative recombination (RR) and dielectronic recombination (DR) rate coefficients for the first six ions of the trans-iron element Se. These calculations were motivated by the recent detection of Se emission lines in a large number of planetary nebulae. Se is a potentially useful tracer of neutron-capture nucleosynthesis. but accurate determinations of its abundance in photoionized nebulae have been hindered by the lack of atomic data governing its ionization balance. Our calculations were carried out in intermediate coupling with semi re1ativistic radial wavefunctions. PI and recombination data were determined for levels within the ground configuration of each ion, and experimental PI cross-section measurements were used to benchmark our results. For DR, we allowed (Delta)n = 0 core excitations, which are important at photoionized plasma temperatures. We find that DR is the dominant recombination process for each of these Se ions at temperatures representative of photoionized nebulae (approx.10(exp 4) K). In order to estimate the uncertainties of these data, we compared results from three different configuration-interaction expansions for each ion, and also tested the sensitivity of the results to the radial scaling factors in the structure calculations. We find that the internal uncertainties are typically 30-50% for the direct PI cross sections and approx.10% for the computed RR rate coefficients, while those for low-temperature DR can be considerably larger (from 15-30% up to two orders of magnitude) due to the unknown energies of near-threshold autoionization resonances. These data are available at the CDS, and fitting coefficients to the total RR and DR rate coefficients are presented. The results are suitable for incorporation into photoionization codes used to numerically simulate astrophysical nebulae, and will enable robust determinations of nebular Se abundances.

Sterling, N. C.↗
NASA NTRS1989

Introduction and data summary, chapter 5

A subset of data representing most of the participating model groups was discussed and reviewed. The results are presented for intercomparisons of that subset of data. Subsequent to the workshop, the various modeling groups had the opportunity to either update or add to the data sets discussed at the workshop. The overall revised data sets as of December 1988 are presented. Data from all the models (where available) are grouped according to: (1) photochemistry and radiation (photodissociation coefficients, and ultraviolet heating and infrared cooling); (2) transport (net radiative heating, tropospheric source tracer experiment, time-dependent source conserved tracer experiment, stratospheric source tracer experiment, and O3 column); (3) current atmosphere (integrated columns of trace gases, Cl(y) and NO(y), nitrogen gases, chlorine gases, O(x) and HO(x) gases, and source gases); and (4) perturbed circulations and temperatures. The data presented provide a detailed summary of the two-dimensional picture of the atmosphere as seen by current atmospheric models.

Source record↗